*HEADER    SIGNALING PROTEIN                       22-FEB-10   2KUM              
*TITLE     SOLUTION STRUCTURE OF THE HUMAN CHEMOKINE CCL27                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: C-C MOTIF CHEMOKINE 27;                                    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: SMALL-INDUCIBLE CYTOKINE A27, CC CHEMOKINE ILC,             
*COMPND   5 IL-11 R-ALPHA-LOCUS CHEMOKINE, SKINKINE, ESKINE, CUTANEOUS           
*COMPND   6 T-CELL-ATTRACTING CHEMOKINE, CTACK;                                  
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: ALP, CCL27, CTACK, CTAK, ESKINE, ILC, PESKY, SCYA27;           
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3) PLYSS;                          
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PHUE                                      
*KEYWDS    CCL27, CTACK, CHEMOKINE, CYTOKINE, DISULFIDE BOND,                    
*KEYWDS   2 POLYMORPHISM, SIGNALING PROTEIN                                      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    30                                                                    
*AUTHOR    J.P.KIRKPATRICK, A.JANSMA, A.HSU, T.M.HANDEL, D.NIETLISPACH           
*REVDAT   1   02-MAR-10 2KUM    0                                                



!------------------- Residue   2 PHI ------------------
assign ( resid   1 and name C ) ( resid   2 and name N)
       ( resid   2 and name CA ) ( resid   2 and name C) 1.0 -103.0  50.0 2

!------------------- Residue   2 PSI ------------------
assign ( resid   2 and name N ) ( resid   2 and name CA)
       ( resid   2 and name C ) ( resid   3 and name N) 1.0 122.0  22.0 2


!------------------- Residue   3 PHI ------------------
assign ( resid   2 and name C ) ( resid   3 and name N)
       ( resid   3 and name CA ) ( resid   3 and name C) 1.0 -83.0  28.7 2

!------------------- Residue   3 PSI ------------------
assign ( resid   3 and name N ) ( resid   3 and name CA)
       ( resid   3 and name C ) ( resid   4 and name N) 1.0 142.1  34.8 2


!------------------- Residue   4 PHI ------------------
assign ( resid   3 and name C ) ( resid   4 and name N)
       ( resid   4 and name CA ) ( resid   4 and name C) 1.0 -64.6  14.3 2

!------------------- Residue   4 PSI ------------------
assign ( resid   4 and name N ) ( resid   4 and name CA)
       ( resid   4 and name C ) ( resid   5 and name N) 1.0 149.7  19.3 2


!------------------- Residue   8 PHI ------------------
assign ( resid   7 and name C ) ( resid   8 and name N)
       ( resid   8 and name CA ) ( resid   8 and name C) 1.0 -91.7  63.9 2

!------------------- Residue   8 PSI ------------------
assign ( resid   8 and name N ) ( resid   8 and name CA)
       ( resid   8 and name C ) ( resid   9 and name N) 1.0 132.4  44.5 2


!------------------- Residue  10 PHI ------------------
assign ( resid   9 and name C ) ( resid  10 and name N)
       ( resid  10 and name CA ) ( resid  10 and name C) 1.0 -115.6  67.0 2

!------------------- Residue  10 PSI ------------------
assign ( resid  10 and name N ) ( resid  10 and name CA)
       ( resid  10 and name C ) ( resid  11 and name N) 1.0 150.0  31.1 2


!------------------- Residue  14 PHI ------------------
assign ( resid  13 and name C ) ( resid  14 and name N)
       ( resid  14 and name CA ) ( resid  14 and name C) 1.0 -69.1  28.7 2

!------------------- Residue  14 PSI ------------------
assign ( resid  14 and name N ) ( resid  14 and name CA)
       ( resid  14 and name C ) ( resid  15 and name N) 1.0 -36.9  22.1 2


!------------------- Residue  20 PHI ------------------
assign ( resid  19 and name C ) ( resid  20 and name N)
       ( resid  20 and name CA ) ( resid  20 and name C) 1.0 -60.5   5.3 2

!------------------- Residue  20 PSI ------------------
assign ( resid  20 and name N ) ( resid  20 and name CA)
       ( resid  20 and name C ) ( resid  21 and name N) 1.0 -36.8   7.4 2


!------------------- Residue  21 PHI ------------------
assign ( resid  20 and name C ) ( resid  21 and name N)
       ( resid  21 and name CA ) ( resid  21 and name C) 1.0 -63.3   7.5 2

!------------------- Residue  21 PSI ------------------
assign ( resid  21 and name N ) ( resid  21 and name CA)
       ( resid  21 and name C ) ( resid  22 and name N) 1.0 -39.5   6.9 2


!------------------- Residue  22 PHI ------------------
assign ( resid  21 and name C ) ( resid  22 and name N)
       ( resid  22 and name CA ) ( resid  22 and name C) 1.0 -63.1   9.5 2

!------------------- Residue  22 PSI ------------------
assign ( resid  22 and name N ) ( resid  22 and name CA)
       ( resid  22 and name C ) ( resid  23 and name N) 1.0 -42.1  14.3 2


!------------------- Residue  23 PHI ------------------
assign ( resid  22 and name C ) ( resid  23 and name N)
       ( resid  23 and name CA ) ( resid  23 and name C) 1.0 -61.3  11.9 2

!------------------- Residue  23 PSI ------------------
assign ( resid  23 and name N ) ( resid  23 and name CA)
       ( resid  23 and name C ) ( resid  24 and name N) 1.0 -39.1  12.9 2


!------------------- Residue  24 PHI ------------------
assign ( resid  23 and name C ) ( resid  24 and name N)
       ( resid  24 and name CA ) ( resid  24 and name C) 1.0 -65.3  15.6 2

!------------------- Residue  24 PSI ------------------
assign ( resid  24 and name N ) ( resid  24 and name CA)
       ( resid  24 and name C ) ( resid  25 and name N) 1.0 -25.9  29.7 2


!------------------- Residue  25 PHI ------------------
assign ( resid  24 and name C ) ( resid  25 and name N)
       ( resid  25 and name CA ) ( resid  25 and name C) 1.0 -97.9  28.9 2

!------------------- Residue  25 PSI ------------------
assign ( resid  25 and name N ) ( resid  25 and name CA)
       ( resid  25 and name C ) ( resid  26 and name N) 1.0  -4.6  29.2 2


!------------------- Residue  28 PHI ------------------
assign ( resid  27 and name C ) ( resid  28 and name N)
       ( resid  28 and name CA ) ( resid  28 and name C) 1.0 -149.4  26.1 2

!------------------- Residue  28 PSI ------------------
assign ( resid  28 and name N ) ( resid  28 and name CA)
       ( resid  28 and name C ) ( resid  29 and name N) 1.0 141.3  15.9 2


!------------------- Residue  29 PHI ------------------
assign ( resid  28 and name C ) ( resid  29 and name N)
       ( resid  29 and name CA ) ( resid  29 and name C) 1.0 -113.1  38.8 2

!------------------- Residue  29 PSI ------------------
assign ( resid  29 and name N ) ( resid  29 and name CA)
       ( resid  29 and name C ) ( resid  30 and name N) 1.0 137.1  21.3 2


!------------------- Residue  30 PHI ------------------
assign ( resid  29 and name C ) ( resid  30 and name N)
       ( resid  30 and name CA ) ( resid  30 and name C) 1.0 -127.2  31.2 2

!------------------- Residue  30 PSI ------------------
assign ( resid  30 and name N ) ( resid  30 and name CA)
       ( resid  30 and name C ) ( resid  31 and name N) 1.0 141.3  29.6 2


!------------------- Residue  31 PHI ------------------
assign ( resid  30 and name C ) ( resid  31 and name N)
       ( resid  31 and name CA ) ( resid  31 and name C) 1.0 -103.5  41.9 2

!------------------- Residue  31 PSI ------------------
assign ( resid  31 and name N ) ( resid  31 and name CA)
       ( resid  31 and name C ) ( resid  32 and name N) 1.0 125.6  19.6 2


!------------------- Residue  32 PHI ------------------
assign ( resid  31 and name C ) ( resid  32 and name N)
       ( resid  32 and name CA ) ( resid  32 and name C) 1.0 -120.2  49.2 2

!------------------- Residue  32 PSI ------------------
assign ( resid  32 and name N ) ( resid  32 and name CA)
       ( resid  32 and name C ) ( resid  33 and name N) 1.0 139.8  34.7 2


!------------------- Residue  33 PHI ------------------
assign ( resid  32 and name C ) ( resid  33 and name N)
       ( resid  33 and name CA ) ( resid  33 and name C) 1.0 -110.0  66.0 2

!------------------- Residue  33 PSI ------------------
assign ( resid  33 and name N ) ( resid  33 and name CA)
       ( resid  33 and name C ) ( resid  34 and name N) 1.0 144.0  32.0 2


!------------------- Residue  34 PHI ------------------
assign ( resid  33 and name C ) ( resid  34 and name N)
       ( resid  34 and name CA ) ( resid  34 and name C) 1.0 -72.9  43.5 2

!------------------- Residue  34 PSI ------------------
assign ( resid  34 and name N ) ( resid  34 and name CA)
       ( resid  34 and name C ) ( resid  35 and name N) 1.0 -17.0  45.1 2


!------------------- Residue  38 PHI ------------------
assign ( resid  37 and name C ) ( resid  38 and name N)
       ( resid  38 and name CA ) ( resid  38 and name C) 1.0 -134.7  34.7 2

!------------------- Residue  38 PSI ------------------
assign ( resid  38 and name N ) ( resid  38 and name CA)
       ( resid  38 and name C ) ( resid  39 and name N) 1.0 160.1  32.4 2


!------------------- Residue  41 PHI ------------------
assign ( resid  40 and name C ) ( resid  41 and name N)
       ( resid  41 and name CA ) ( resid  41 and name C) 1.0 -91.9  26.5 2

!------------------- Residue  41 PSI ------------------
assign ( resid  41 and name N ) ( resid  41 and name CA)
       ( resid  41 and name C ) ( resid  42 and name N) 1.0 130.3  13.0 2


!------------------- Residue  42 PHI ------------------
assign ( resid  41 and name C ) ( resid  42 and name N)
       ( resid  42 and name CA ) ( resid  42 and name C) 1.0 -129.8  32.2 2

!------------------- Residue  42 PSI ------------------
assign ( resid  42 and name N ) ( resid  42 and name CA)
       ( resid  42 and name C ) ( resid  43 and name N) 1.0 151.6  23.6 2


!------------------- Residue  43 PHI ------------------
assign ( resid  42 and name C ) ( resid  43 and name N)
       ( resid  43 and name CA ) ( resid  43 and name C) 1.0 -116.1  30.7 2

!------------------- Residue  43 PSI ------------------
assign ( resid  43 and name N ) ( resid  43 and name CA)
       ( resid  43 and name C ) ( resid  44 and name N) 1.0 127.6  26.4 2


!------------------- Residue  44 PHI ------------------
assign ( resid  43 and name C ) ( resid  44 and name N)
       ( resid  44 and name CA ) ( resid  44 and name C) 1.0 -115.1  33.8 2

!------------------- Residue  44 PSI ------------------
assign ( resid  44 and name N ) ( resid  44 and name CA)
       ( resid  44 and name C ) ( resid  45 and name N) 1.0 126.7  32.0 2


!------------------- Residue  45 PHI ------------------
assign ( resid  44 and name C ) ( resid  45 and name N)
       ( resid  45 and name CA ) ( resid  45 and name C) 1.0 -99.0  42.0 2

!------------------- Residue  45 PSI ------------------
assign ( resid  45 and name N ) ( resid  45 and name CA)
       ( resid  45 and name C ) ( resid  46 and name N) 1.0 127.0  38.0 2


!------------------- Residue  46 PHI ------------------
assign ( resid  45 and name C ) ( resid  46 and name N)
       ( resid  46 and name CA ) ( resid  46 and name C) 1.0 -104.0  30.0 2

!------------------- Residue  46 PSI ------------------
assign ( resid  46 and name N ) ( resid  46 and name CA)
       ( resid  46 and name C ) ( resid  47 and name N) 1.0 111.0  26.0 2


!------------------- Residue  49 PHI ------------------
assign ( resid  48 and name C ) ( resid  49 and name N)
       ( resid  49 and name CA ) ( resid  49 and name C) 1.0 -93.0  45.1 2

!------------------- Residue  49 PSI ------------------
assign ( resid  49 and name N ) ( resid  49 and name CA)
       ( resid  49 and name C ) ( resid  50 and name N) 1.0 -15.4  38.7 2


!------------------- Residue  50 PHI ------------------
assign ( resid  49 and name C ) ( resid  50 and name N)
       ( resid  50 and name CA ) ( resid  50 and name C) 1.0 -133.1  65.5 2

!------------------- Residue  50 PSI ------------------
assign ( resid  50 and name N ) ( resid  50 and name CA)
       ( resid  50 and name C ) ( resid  51 and name N) 1.0 151.8  25.6 2


!------------------- Residue  51 PHI ------------------
assign ( resid  50 and name C ) ( resid  51 and name N)
       ( resid  51 and name CA ) ( resid  51 and name C) 1.0 -132.8  34.6 2

!------------------- Residue  51 PSI ------------------
assign ( resid  51 and name N ) ( resid  51 and name CA)
       ( resid  51 and name C ) ( resid  52 and name N) 1.0 145.2  20.7 2


!------------------- Residue  52 PHI ------------------
assign ( resid  51 and name C ) ( resid  52 and name N)
       ( resid  52 and name CA ) ( resid  52 and name C) 1.0 -128.1  26.0 2

!------------------- Residue  52 PSI ------------------
assign ( resid  52 and name N ) ( resid  52 and name CA)
       ( resid  52 and name C ) ( resid  53 and name N) 1.0 144.3  26.7 2


!------------------- Residue  53 PHI ------------------
assign ( resid  52 and name C ) ( resid  53 and name N)
       ( resid  53 and name CA ) ( resid  53 and name C) 1.0 -128.2  23.6 2

!------------------- Residue  53 PSI ------------------
assign ( resid  53 and name N ) ( resid  53 and name CA)
       ( resid  53 and name C ) ( resid  54 and name N) 1.0 146.0  23.9 2


!------------------- Residue  54 PHI ------------------
assign ( resid  53 and name C ) ( resid  54 and name N)
       ( resid  54 and name CA ) ( resid  54 and name C) 1.0 -103.4  30.4 2

!------------------- Residue  54 PSI ------------------
assign ( resid  54 and name N ) ( resid  54 and name CA)
       ( resid  54 and name C ) ( resid  55 and name N) 1.0 125.4  21.1 2


!------------------- Residue  55 PHI ------------------
assign ( resid  54 and name C ) ( resid  55 and name N)
       ( resid  55 and name CA ) ( resid  55 and name C) 1.0 -100.5  71.3 2

!------------------- Residue  55 PSI ------------------
assign ( resid  55 and name N ) ( resid  55 and name CA)
       ( resid  55 and name C ) ( resid  56 and name N) 1.0 131.9  47.5 2


!------------------- Residue  60 PHI ------------------
assign ( resid  59 and name C ) ( resid  60 and name N)
       ( resid  60 and name CA ) ( resid  60 and name C) 1.0 -60.9  24.6 2

!------------------- Residue  60 PSI ------------------
assign ( resid  60 and name N ) ( resid  60 and name CA)
       ( resid  60 and name C ) ( resid  61 and name N) 1.0 -35.8  25.5 2


!------------------- Residue  61 PHI ------------------
assign ( resid  60 and name C ) ( resid  61 and name N)
       ( resid  61 and name CA ) ( resid  61 and name C) 1.0 -65.3  14.5 2

!------------------- Residue  61 PSI ------------------
assign ( resid  61 and name N ) ( resid  61 and name CA)
       ( resid  61 and name C ) ( resid  62 and name N) 1.0 -41.5  13.1 2


!------------------- Residue  62 PHI ------------------
assign ( resid  61 and name C ) ( resid  62 and name N)
       ( resid  62 and name CA ) ( resid  62 and name C) 1.0 -65.1  13.2 2

!------------------- Residue  62 PSI ------------------
assign ( resid  62 and name N ) ( resid  62 and name CA)
       ( resid  62 and name C ) ( resid  63 and name N) 1.0 -40.7   9.1 2


!------------------- Residue  63 PHI ------------------
assign ( resid  62 and name C ) ( resid  63 and name N)
       ( resid  63 and name CA ) ( resid  63 and name C) 1.0 -65.8  13.1 2

!------------------- Residue  63 PSI ------------------
assign ( resid  63 and name N ) ( resid  63 and name CA)
       ( resid  63 and name C ) ( resid  64 and name N) 1.0 -40.4  11.2 2


!------------------- Residue  64 PHI ------------------
assign ( resid  63 and name C ) ( resid  64 and name N)
       ( resid  64 and name CA ) ( resid  64 and name C) 1.0 -62.8  11.1 2

!------------------- Residue  64 PSI ------------------
assign ( resid  64 and name N ) ( resid  64 and name CA)
       ( resid  64 and name C ) ( resid  65 and name N) 1.0 -42.1  13.7 2


!------------------- Residue  65 PHI ------------------
assign ( resid  64 and name C ) ( resid  65 and name N)
       ( resid  65 and name CA ) ( resid  65 and name C) 1.0 -68.2  14.5 2

!------------------- Residue  65 PSI ------------------
assign ( resid  65 and name N ) ( resid  65 and name CA)
       ( resid  65 and name C ) ( resid  66 and name N) 1.0 -40.5  14.0 2


!------------------- Residue  66 PHI ------------------
assign ( resid  65 and name C ) ( resid  66 and name N)
       ( resid  66 and name CA ) ( resid  66 and name C) 1.0 -67.1  21.1 2

!------------------- Residue  66 PSI ------------------
assign ( resid  66 and name N ) ( resid  66 and name CA)
       ( resid  66 and name C ) ( resid  67 and name N) 1.0 -36.5  19.1 2


!------------------- Residue  67 PHI ------------------
assign ( resid  66 and name C ) ( resid  67 and name N)
       ( resid  67 and name CA ) ( resid  67 and name C) 1.0 -75.8  28.4 2

!------------------- Residue  67 PSI ------------------
assign ( resid  67 and name N ) ( resid  67 and name CA)
       ( resid  67 and name C ) ( resid  68 and name N) 1.0 -27.5  42.4 2


!------------------- Residue  68 PHI ------------------
assign ( resid  67 and name C ) ( resid  68 and name N)
       ( resid  68 and name CA ) ( resid  68 and name C) 1.0 -72.0  36.0 2

!------------------- Residue  68 PSI ------------------
assign ( resid  68 and name N ) ( resid  68 and name CA)
       ( resid  68 and name C ) ( resid  69 and name N) 1.0 -29.0  52.0 2


!------------------- Residue  69 PHI ------------------
assign ( resid  68 and name C ) ( resid  69 and name N)
       ( resid  69 and name CA ) ( resid  69 and name C) 1.0 -69.0  34.8 2

!------------------- Residue  69 PSI ------------------
assign ( resid  69 and name N ) ( resid  69 and name CA)
       ( resid  69 and name C ) ( resid  70 and name N) 1.0 -37.0  22.6 2


!------------------- Residue  70 PHI ------------------
assign ( resid  69 and name C ) ( resid  70 and name N)
       ( resid  70 and name CA ) ( resid  70 and name C) 1.0 -76.5  36.5 2

!------------------- Residue  70 PSI ------------------
assign ( resid  70 and name N ) ( resid  70 and name CA)
       ( resid  70 and name C ) ( resid  71 and name N) 1.0 -21.6  57.5 2

! beta-sheet
!=============

assign (resid  54 and     name O    )(resid  43 and     name N    ) 0.0 0.0 3.3
assign (resid  54 and     name O    )(resid  43 and     name HN   ) 0.0 0.0 2.3


assign (resid  43 and     name O    )(resid  54 and     name N    ) 0.0 0.0 3.3
assign (resid  43 and     name O    )(resid  54 and     name HN   ) 0.0 0.0 2.3


assign (resid  52 and     name O    )(resid  45 and     name N    ) 0.0 0.0 3.3
assign (resid  52 and     name O    )(resid  45 and     name HN   ) 0.0 0.0 2.3


assign (resid  45 and     name O    )(resid  52 and     name N    ) 0.0 0.0 3.3
assign (resid  45 and     name O    )(resid  52 and     name HN   ) 0.0 0.0 2.3


assign (resid  50 and     name O    )(resid  47 and     name N    ) 0.0 0.0 3.3
assign (resid  50 and     name O    )(resid  47 and     name HN   ) 0.0 0.0 2.3


assign (resid  47 and     name O    )(resid  50 and     name N    ) 0.0 0.0 3.3
assign (resid  47 and     name O    )(resid  50 and     name HN   ) 0.0 0.0 2.3


assign (resid  28 and     name O    )(resid  46 and     name N    ) 0.0 0.0 3.3
assign (resid  28 and     name O    )(resid  46 and     name HN   ) 0.0 0.0 2.3


assign (resid  46 and     name O    )(resid  28 and     name N    ) 0.0 0.0 3.3
assign (resid  46 and     name O    )(resid  28 and     name HN   ) 0.0 0.0 2.3


assign (resid  30 and     name O    )(resid  44 and     name N    ) 0.0 0.0 3.3
assign (resid  30 and     name O    )(resid  44 and     name HN   ) 0.0 0.0 2.3


assign (resid  44 and     name O    )(resid  30 and     name N    ) 0.0 0.0 3.3
assign (resid  44 and     name O    )(resid  30 and     name HN   ) 0.0 0.0 2.3


assign (resid  32 and     name O    )(resid  42 and     name N    ) 0.0 0.0 3.3
assign (resid  32 and     name O    )(resid  42 and     name HN   ) 0.0 0.0 2.3


assign (resid  42 and     name O    )(resid  32 and     name N    ) 0.0 0.0 3.3
assign (resid  42 and     name O    )(resid  32 and     name HN   ) 0.0 0.0 2.3


! helix 1
!==========

assign (resid  60 and     name O    )(resid  64 and     name N    ) 0.0 0.0 3.3
assign (resid  60 and     name O    )(resid  64 and     name HN   ) 0.0 0.0 2.3


assign (resid  61 and     name O    )(resid  65 and     name N    ) 0.0 0.0 3.3
assign (resid  61 and     name O    )(resid  65 and     name HN   ) 0.0 0.0 2.3


assign (resid  62 and     name O    )(resid  66 and     name N    ) 0.0 0.0 3.3
assign (resid  62 and     name O    )(resid  66 and     name HN   ) 0.0 0.0 2.3


assign (resid  63 and     name O    )(resid  67 and     name N    ) 0.0 0.0 3.3
assign (resid  63 and     name O    )(resid  67 and     name HN   ) 0.0 0.0 2.3


assign (resid  64 and     name O    )(resid  68 and     name N    ) 0.0 0.0 3.3
assign (resid  64 and     name O    )(resid  68 and     name HN   ) 0.0 0.0 2.3


assign (resid  65 and     name O    )(resid  69 and     name N    ) 0.0 0.0 3.3
assign (resid  65 and     name O    )(resid  69 and     name HN   ) 0.0 0.0 2.3


assign (resid  66 and     name O    )(resid  70 and     name N    ) 0.0 0.0 3.3
assign (resid  66 and     name O    )(resid  70 and     name HN   ) 0.0 0.0 2.3


assign (resid  67 and     name O
 or resid 68 and     name O
 )
 (resid  71 and     name N    ) 0.0 0.0 3.3

assign (resid  67 and     name O
        or resid 68 and     name O
        )
        (resid  71 and     name HN    ) 0.0 0.0 2.3


! helix 2
!==========

assign (resid  20 and     name O
        or resid 21 and     name O
        )
        (resid  24 and     name N    ) 0.0 0.0 3.3

assign (resid  20 and     name O
        or resid 21 and     name O
        )
        (resid  24 and     name HN    ) 0.0 0.0 2.3


assign (resid  21 and     name O
        or resid 22 and     name O
        )
        (resid  25 and     name N    ) 0.0 0.0 3.3

assign (resid  21 and     name O
        or resid 22 and     name O
        )
        (resid  25 and     name HN    ) 0.0 0.0 2.3






 ASSI {    1}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 74   and name H   ))
      3.200     1.300     1.300 peak     1 spectrum    1 weight  0.10000E+01 volume  0.46068E-02 ppm1      8.008 ppm2      8.286 CV     1
 OR {    1}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 76   and name H   ))
 OR {    1}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 73   and name H   ))
 OR {    1}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 80   and name H   ))
 OR {    1}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 69   and name H   ))
 OR {    1}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 86   and name H   ))
 OR {    1}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 58   and name H   ))
 OR {    1}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 9    and name H   ))
 OR {    1}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 8    and name H   ))
 OR {    1}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 3    and name H   ))
 ASSI {    2}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 45   and name H   ))
      4.000     2.000     2.000 peak     2 spectrum    1 weight  0.10000E+01 volume  0.89674E-03 ppm1      8.919 ppm2      9.050 CV     1
 OR {    2}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 30   and name H   ))
 OR {    2}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 27   and name H   ))
 ASSI {    3}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 46   and name H   ))
      4.300     2.400     1.700 peak     3 spectrum    1 weight  0.10000E+01 volume  0.52054E-03 ppm1      9.079 ppm2      8.932 CV     1
 OR {    3}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 53   and name H   ))
 OR {    3}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 14   and name H   ))
 OR {    3}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 20   and name H   ))
 ASSI {    4}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 32   and name H   ))
      3.400     1.400     1.400 peak     4 spectrum    1 weight  0.10000E+01 volume  0.70036E-03 ppm1      8.448 ppm2      8.815 CV     1
 OR {    4}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 34   and name H   ))
 OR {    4}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 31   and name H   ))
 OR {    4}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 11   and name H   ))
 OR {    4}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 20   and name H   ))
 OR {    4}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 48   and name H   ))
 ASSI {    5}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 86   and name HA  ))
      2.500     0.800     0.800 peak     5 spectrum    1 weight  0.10000E+01 volume  0.78080E-03 ppm1      7.924 ppm2      4.246 CV     1
 OR {    5}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 85   and name HA  ))
 OR {    5}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 84   and name HA  ))
 OR {    5}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 79   and name HA  ))
 OR {    5}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 78   and name HA  ))
 OR {    5}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 75   and name HA  ))
 OR {    5}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 72   and name HA  ))
 OR {    5}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 64   and name HA  ))
 OR {    5}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 11   and name HB  ))
 OR {    5}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 11   and name HA  ))
 OR {    5}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 8    and name HA  ))
 OR {    5}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 7    and name HA  ))
 OR {    5}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 37   and name HA  ))
 OR {    5}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 16   and name HA  ))
 OR {    5}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 27   and name HA  ))
 ASSI {    6}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 86   and name HG3 ))
      2.600     0.800     0.800 peak     6 spectrum    1 weight  0.10000E+01 volume  0.91567E-03 ppm1      8.375 ppm2      1.360 CV     1
 OR {    6}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 86   and name HG2 ))
 OR {    6}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 78   and name HG3 ))
 OR {    6}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 78   and name HG2 ))
 OR {    6}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 72   and name HB2 ))
 OR {    6}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 71   and name HG3 ))
 OR {    6}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 61   and name HB2 ))
 OR {    6}
   (( segid "    " and resid 87   and name H   ))
   (  segid "    " and resid 48   and name HB% )
 OR {    6}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 56   and name HG2 ))
 OR {    6}
   (( segid "    " and resid 87   and name H   ))
   (  segid "    " and resid 8    and name HB% )
 OR {    6}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 40   and name HB2 ))
 OR {    6}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 15   and name HB2 ))
 OR {    6}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 15   and name HG3 ))
 OR {    6}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 25   and name HG2 ))
 OR {    6}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 23   and name HG  ))
 OR {    6}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 22   and name HG  ))
 OR {    6}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 21   and name HG3 ))
 OR {    6}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 21   and name HG2 ))
 ASSI {    7}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 84   and name HB3 ))
      3.000     1.100     1.100 peak     7 spectrum    1 weight  0.10000E+01 volume  0.63860E-02 ppm1      8.118 ppm2      1.529 CV     1
 OR {    7}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 85   and name HG3 ))
 OR {    7}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 84   and name HG  ))
 OR {    7}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 84   and name HB2 ))
 OR {    7}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {    7}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 76   and name HG  ))
 OR {    7}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 76   and name HB3 ))
 OR {    7}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 76   and name HB2 ))
 OR {    7}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 72   and name HB3 ))
 OR {    7}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {    7}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {    7}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 70   and name HG2 ))
 OR {    7}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 70   and name HG3 ))
 OR {    7}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 61   and name HB3 ))
 OR {    7}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 47   and name HG  ))
 OR {    7}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 50   and name HG2 ))
 OR {    7}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 45   and name HG  ))
 OR {    7}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 52   and name HB  ))
 OR {    7}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 13   and name HG  ))
 OR {    7}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 15   and name HG2 ))
 OR {    7}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {    7}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 3    and name HB3 ))
 OR {    7}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {    7}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 3    and name HB2 ))
 OR {    7}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 3    and name HG  ))
 OR {    7}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 2    and name HB3 ))
 OR {    7}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 27   and name HG12))
 OR {    7}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 2    and name HB2 ))
 OR {    7}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 2    and name HG  ))
 OR {    7}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 18   and name HB2 ))
 OR {    7}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {    7}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {    7}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {    7}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 22   and name HB3 ))
 OR {    7}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 21   and name HD2 ))
 OR {    7}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 21   and name HD3 ))
 ASSI {    8}
   (( segid "    " and resid 85   and name H   ))
   (  segid "    " and resid 84   and name HD2%)
      2.600     0.800     0.800 peak     8 spectrum    1 weight  0.10000E+01 volume  0.14386E-02 ppm1      8.118 ppm2      0.776 CV     1
 OR {    8}
   (( segid "    " and resid 85   and name H   ))
   (  segid "    " and resid 84   and name HD1%)
 OR {    8}
   (( segid "    " and resid 85   and name H   ))
   (  segid "    " and resid 79   and name HD2%)
 OR {    8}
   (( segid "    " and resid 85   and name H   ))
   (  segid "    " and resid 76   and name HD1%)
 OR {    8}
   (( segid "    " and resid 85   and name H   ))
   (  segid "    " and resid 76   and name HD2%)
 OR {    8}
   (( segid "    " and resid 85   and name H   ))
   (  segid "    " and resid 72   and name HD1%)
 OR {    8}
   (( segid "    " and resid 85   and name H   ))
   (  segid "    " and resid 72   and name HD2%)
 OR {    8}
   (( segid "    " and resid 85   and name H   ))
   (  segid "    " and resid 47   and name HD2%)
 OR {    8}
   (( segid "    " and resid 85   and name H   ))
   (  segid "    " and resid 47   and name HD1%)
 OR {    8}
   (( segid "    " and resid 85   and name H   ))
   (  segid "    " and resid 54   and name HD1%)
 OR {    8}
   (( segid "    " and resid 85   and name H   ))
   (  segid "    " and resid 44   and name HG2%)
 OR {    8}
   (( segid "    " and resid 85   and name H   ))
   (  segid "    " and resid 40   and name HD2%)
 OR {    8}
   (( segid "    " and resid 85   and name H   ))
   (  segid "    " and resid 40   and name HD1%)
 OR {    8}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 52   and name HG13))
 OR {    8}
   (( segid "    " and resid 85   and name H   ))
   (  segid "    " and resid 29   and name HG1%)
 OR {    8}
   (( segid "    " and resid 85   and name H   ))
   (  segid "    " and resid 3    and name HD2%)
 OR {    8}
   (( segid "    " and resid 85   and name H   ))
   (  segid "    " and resid 27   and name HD1%)
 OR {    8}
   (( segid "    " and resid 85   and name H   ))
   (  segid "    " and resid 2    and name HD1%)
 OR {    8}
   (( segid "    " and resid 85   and name H   ))
   (  segid "    " and resid 2    and name HD2%)
 OR {    8}
   (( segid "    " and resid 85   and name H   ))
   (  segid "    " and resid 18   and name HD2%)
 OR {    8}
   (( segid "    " and resid 85   and name H   ))
   (  segid "    " and resid 22   and name HD1%)
 OR {    8}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 23   and name HB3 ))
 ASSI {    9}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 84   and name HB3 ))
      2.400     0.700     0.700 peak     9 spectrum    1 weight  0.10000E+01 volume  0.89319E-02 ppm1      8.049 ppm2      1.547 CV     1
 OR {    9}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 84   and name HB2 ))
 OR {    9}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 84   and name HG  ))
 OR {    9}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {    9}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 85   and name HG3 ))
 OR {    9}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 86   and name HD3 ))
 OR {    9}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 86   and name HD2 ))
 OR {    9}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 78   and name HD3 ))
 OR {    9}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 78   and name HD2 ))
 OR {    9}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 76   and name HB3 ))
 OR {    9}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 76   and name HG  ))
 OR {    9}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 76   and name HB2 ))
 OR {    9}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 72   and name HB3 ))
 OR {    9}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {    9}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {    9}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 70   and name HG2 ))
 OR {    9}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 70   and name HG3 ))
 OR {    9}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 61   and name HB3 ))
 OR {    9}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 47   and name HG  ))
 OR {    9}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 45   and name HG  ))
 OR {    9}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 52   and name HB  ))
 OR {    9}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 13   and name HG  ))
 OR {    9}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {    9}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 3    and name HB3 ))
 OR {    9}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {    9}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 3    and name HB2 ))
 OR {    9}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 3    and name HG  ))
 OR {    9}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 27   and name HG12))
 OR {    9}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 18   and name HB2 ))
 OR {    9}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {    9}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {    9}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {    9}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 22   and name HB3 ))
 OR {    9}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 21   and name HD2 ))
 OR {    9}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 21   and name HD3 ))
 ASSI {   10}
   (( segid "    " and resid 84   and name H   ))
   (  segid "    " and resid 84   and name HD2%)
      4.100     2.100     1.900 peak    10 spectrum    1 weight  0.10000E+01 volume  0.15616E-02 ppm1      8.048 ppm2      0.779 CV     1
 OR {   10}
   (( segid "    " and resid 84   and name H   ))
   (  segid "    " and resid 84   and name HD1%)
 OR {   10}
   (( segid "    " and resid 84   and name H   ))
   (  segid "    " and resid 79   and name HD2%)
 OR {   10}
   (( segid "    " and resid 84   and name H   ))
   (  segid "    " and resid 76   and name HD1%)
 OR {   10}
   (( segid "    " and resid 84   and name H   ))
   (  segid "    " and resid 76   and name HD2%)
 OR {   10}
   (( segid "    " and resid 84   and name H   ))
   (  segid "    " and resid 72   and name HD1%)
 OR {   10}
   (( segid "    " and resid 84   and name H   ))
   (  segid "    " and resid 72   and name HD2%)
 OR {   10}
   (( segid "    " and resid 84   and name H   ))
   (  segid "    " and resid 54   and name HD1%)
 OR {   10}
   (( segid "    " and resid 84   and name H   ))
   (  segid "    " and resid 44   and name HG2%)
 OR {   10}
   (( segid "    " and resid 84   and name H   ))
   (  segid "    " and resid 40   and name HD2%)
 OR {   10}
   (( segid "    " and resid 84   and name H   ))
   (  segid "    " and resid 40   and name HD1%)
 OR {   10}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 52   and name HG13))
 OR {   10}
   (( segid "    " and resid 84   and name H   ))
   (  segid "    " and resid 29   and name HG1%)
 OR {   10}
   (( segid "    " and resid 84   and name H   ))
   (  segid "    " and resid 3    and name HD2%)
 OR {   10}
   (( segid "    " and resid 84   and name H   ))
   (  segid "    " and resid 27   and name HD1%)
 OR {   10}
   (( segid "    " and resid 84   and name H   ))
   (  segid "    " and resid 2    and name HD1%)
 OR {   10}
   (( segid "    " and resid 84   and name H   ))
   (  segid "    " and resid 2    and name HD2%)
 OR {   10}
   (( segid "    " and resid 84   and name H   ))
   (  segid "    " and resid 18   and name HD2%)
 OR {   10}
   (( segid "    " and resid 84   and name H   ))
   (  segid "    " and resid 22   and name HD1%)
 OR {   10}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 23   and name HB3 ))
 ASSI {   11}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 82   and name HA3 ))
      2.600     0.800     0.800 peak    11 spectrum    1 weight  0.10000E+01 volume  0.57496E-03 ppm1      8.050 ppm2      3.826 CV     1
 OR {   11}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 82   and name HA2 ))
 OR {   11}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 34   and name HA  ))
 OR {   11}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 36   and name HA2 ))
 OR {   11}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 6    and name HB2 ))
 OR {   11}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 6    and name HB3 ))
 OR {   11}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 4    and name HD3 ))
 OR {   11}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 19   and name HB3 ))
 OR {   11}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 21   and name HA  ))
 ASSI {   12}
   (( segid "    " and resid 80   and name H   ))
   (  segid "    " and resid 79   and name HD2%)
      3.000     1.100     1.100 peak    12 spectrum    1 weight  0.10000E+01 volume  0.16870E-02 ppm1      8.252 ppm2      0.696 CV     1
 OR {   12}
   (( segid "    " and resid 80   and name H   ))
   (  segid "    " and resid 79   and name HD1%)
 OR {   12}
   (( segid "    " and resid 80   and name H   ))
   (  segid "    " and resid 72   and name HD1%)
 OR {   12}
   (( segid "    " and resid 80   and name H   ))
   (  segid "    " and resid 47   and name HD2%)
 OR {   12}
   (( segid "    " and resid 80   and name H   ))
   (  segid "    " and resid 47   and name HD1%)
 OR {   12}
   (( segid "    " and resid 80   and name H   ))
   (  segid "    " and resid 52   and name HG2%)
 OR {   12}
   (( segid "    " and resid 80   and name H   ))
   (  segid "    " and resid 40   and name HD2%)
 OR {   12}
   (( segid "    " and resid 80   and name H   ))
   (  segid "    " and resid 31   and name HD1%)
 OR {   12}
   (( segid "    " and resid 80   and name H   ))
   (  segid "    " and resid 29   and name HG1%)
 OR {   12}
   (( segid "    " and resid 80   and name H   ))
   (  segid "    " and resid 27   and name HD1%)
 OR {   12}
   (( segid "    " and resid 80   and name H   ))
   (  segid "    " and resid 26   and name HG2%)
 OR {   12}
   (( segid "    " and resid 80   and name H   ))
   (  segid "    " and resid 18   and name HD2%)
 OR {   12}
   (( segid "    " and resid 80   and name H   ))
   (  segid "    " and resid 18   and name HD1%)
 OR {   12}
   (( segid "    " and resid 80   and name H   ))
   (  segid "    " and resid 22   and name HD1%)
 OR {   12}
   (( segid "    " and resid 80   and name H   ))
   (  segid "    " and resid 22   and name HD2%)
 ASSI {   13}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 86   and name HG3 ))
      3.800     1.800     1.800 peak    13 spectrum    1 weight  0.10000E+01 volume  0.19496E-02 ppm1      8.231 ppm2      1.364 CV     1
 OR {   13}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 86   and name HG2 ))
 OR {   13}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 78   and name HG3 ))
 OR {   13}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 78   and name HG2 ))
 OR {   13}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 72   and name HB2 ))
 OR {   13}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 71   and name HG3 ))
 OR {   13}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 61   and name HB2 ))
 OR {   13}
   (( segid "    " and resid 86   and name H   ))
   (  segid "    " and resid 48   and name HB% )
 OR {   13}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 56   and name HG2 ))
 OR {   13}
   (( segid "    " and resid 86   and name H   ))
   (  segid "    " and resid 8    and name HB% )
 OR {   13}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 40   and name HB2 ))
 OR {   13}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 15   and name HB2 ))
 OR {   13}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 15   and name HG3 ))
 OR {   13}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 25   and name HG2 ))
 OR {   13}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 23   and name HG  ))
 OR {   13}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 22   and name HG  ))
 OR {   13}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 21   and name HG3 ))
 OR {   13}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 21   and name HG2 ))
 ASSI {   14}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 85   and name HB2 ))
      2.700     0.900     0.900 peak    14 spectrum    1 weight  0.10000E+01 volume  0.65233E-02 ppm1      8.231 ppm2      1.692 CV     1
 OR {   14}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 86   and name HB2 ))
 OR {   14}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 85   and name HB3 ))
 OR {   14}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 78   and name HB2 ))
 OR {   14}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 78   and name HB3 ))
 OR {   14}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 77   and name HB2 ))
 OR {   14}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 71   and name HB3 ))
 OR {   14}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 71   and name HB2 ))
 OR {   14}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 70   and name HB2 ))
 OR {   14}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 68   and name HG3 ))
 OR {   14}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 68   and name HB3 ))
 OR {   14}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 56   and name HG3 ))
 OR {   14}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {   14}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 45   and name HB3 ))
 OR {   14}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 33   and name HB3 ))
 OR {   14}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 17   and name HB3 ))
 OR {   14}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 18   and name HG  ))
 OR {   14}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 25   and name HD3 ))
 OR {   14}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 24   and name HG3 ))
 OR {   14}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 21   and name HB3 ))
 OR {   14}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 21   and name HB2 ))
 ASSI {   15}
   (( segid "    " and resid 86   and name H   ))
   (  segid "    " and resid 84   and name HD1%)
      4.100     2.100     1.900 peak    15 spectrum    1 weight  0.10000E+01 volume  0.35017E-03 ppm1      8.240 ppm2      0.775 CV     1
 OR {   15}
   (( segid "    " and resid 86   and name H   ))
   (  segid "    " and resid 84   and name HD2%)
 OR {   15}
   (( segid "    " and resid 86   and name H   ))
   (  segid "    " and resid 79   and name HD2%)
 OR {   15}
   (( segid "    " and resid 86   and name H   ))
   (  segid "    " and resid 76   and name HD1%)
 OR {   15}
   (( segid "    " and resid 86   and name H   ))
   (  segid "    " and resid 76   and name HD2%)
 OR {   15}
   (( segid "    " and resid 86   and name H   ))
   (  segid "    " and resid 72   and name HD1%)
 OR {   15}
   (( segid "    " and resid 86   and name H   ))
   (  segid "    " and resid 72   and name HD2%)
 OR {   15}
   (( segid "    " and resid 86   and name H   ))
   (  segid "    " and resid 47   and name HD2%)
 OR {   15}
   (( segid "    " and resid 86   and name H   ))
   (  segid "    " and resid 47   and name HD1%)
 OR {   15}
   (( segid "    " and resid 86   and name H   ))
   (  segid "    " and resid 54   and name HD1%)
 OR {   15}
   (( segid "    " and resid 86   and name H   ))
   (  segid "    " and resid 44   and name HG2%)
 OR {   15}
   (( segid "    " and resid 86   and name H   ))
   (  segid "    " and resid 40   and name HD2%)
 OR {   15}
   (( segid "    " and resid 86   and name H   ))
   (  segid "    " and resid 40   and name HD1%)
 OR {   15}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 52   and name HG13))
 OR {   15}
   (( segid "    " and resid 86   and name H   ))
   (  segid "    " and resid 29   and name HG1%)
 OR {   15}
   (( segid "    " and resid 86   and name H   ))
   (  segid "    " and resid 27   and name HD1%)
 OR {   15}
   (( segid "    " and resid 86   and name H   ))
   (  segid "    " and resid 2    and name HD1%)
 OR {   15}
   (( segid "    " and resid 86   and name H   ))
   (  segid "    " and resid 2    and name HD2%)
 OR {   15}
   (( segid "    " and resid 86   and name H   ))
   (  segid "    " and resid 18   and name HD2%)
 OR {   15}
   (( segid "    " and resid 86   and name H   ))
   (  segid "    " and resid 22   and name HD1%)
 OR {   15}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 23   and name HB3 ))
 ASSI {   16}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 85   and name HD3 ))
      5.500     3.800     0.500 peak    16 spectrum    1 weight  0.10000E+01 volume  0.19165E-03 ppm1      8.052 ppm2      3.102 CV     1
 OR {   16}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 85   and name HD2 ))
 OR {   16}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 81   and name HB2 ))
 OR {   16}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 73   and name HB2 ))
 OR {   16}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 70   and name HD3 ))
 OR {   16}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 70   and name HD2 ))
 OR {   16}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 67   and name HB2 ))
 OR {   16}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 67   and name HB3 ))
 OR {   16}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 65   and name HB2 ))
 OR {   16}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 64   and name HB2 ))
 OR {   16}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 58   and name HB3 ))
 OR {   16}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 50   and name HD2 ))
 OR {   16}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 46   and name HB3 ))
 OR {   16}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 46   and name HB2 ))
 OR {   16}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 50   and name HD3 ))
 OR {   16}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 38   and name HB3 ))
 OR {   16}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 39   and name HB2 ))
 OR {   16}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 14   and name HB2 ))
 OR {   16}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 14   and name HB3 ))
 OR {   16}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 1    and name HB3 ))
 OR {   16}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 1    and name HB2 ))
 OR {   16}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 24   and name HD3 ))
 OR {   16}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 24   and name HD2 ))
 ASSI {   17}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 86   and name HB3 ))
      2.700     0.900     0.900 peak    17 spectrum    1 weight  0.10000E+01 volume  0.43299E-03 ppm1      7.923 ppm2      1.766 CV     1
 OR {   17}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 85   and name HB3 ))
 OR {   17}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 78   and name HB2 ))
 OR {   17}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 77   and name HB2 ))
 OR {   17}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 71   and name HB3 ))
 OR {   17}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 70   and name HB3 ))
 OR {   17}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 70   and name HB2 ))
 OR {   17}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 68   and name HG3 ))
 OR {   17}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 50   and name HB2 ))
 OR {   17}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {   17}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 41   and name HB2 ))
 OR {   17}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 41   and name HB3 ))
 OR {   17}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 32   and name HB3 ))
 OR {   17}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 29   and name HB  ))
 OR {   17}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 16   and name HB2 ))
 OR {   17}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 4    and name HB2 ))
 OR {   17}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 27   and name HB  ))
 OR {   17}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 17   and name HB3 ))
 OR {   17}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 18   and name HG  ))
 OR {   17}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 24   and name HB3 ))
 OR {   17}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 24   and name HG2 ))
 ASSI {   18}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 86   and name HG3 ))
      4.500     2.500     1.500 peak    18 spectrum    1 weight  0.10000E+01 volume  0.40696E-03 ppm1      7.925 ppm2      1.348 CV     1
 OR {   18}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 86   and name HG2 ))
 OR {   18}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 78   and name HG3 ))
 OR {   18}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 78   and name HG2 ))
 OR {   18}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 72   and name HB2 ))
 OR {   18}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 71   and name HG2 ))
 OR {   18}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 71   and name HG3 ))
 OR {   18}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 61   and name HB2 ))
 OR {   18}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 56   and name HG2 ))
 OR {   18}
   (( segid "    " and resid 88   and name H   ))
   (  segid "    " and resid 8    and name HB% )
 OR {   18}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 45   and name HB2 ))
 OR {   18}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 40   and name HB2 ))
 OR {   18}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 15   and name HG3 ))
 OR {   18}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 25   and name HG2 ))
 OR {   18}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 23   and name HG  ))
 OR {   18}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 21   and name HG3 ))
 ASSI {   19}
   (( segid "    " and resid 88   and name H   ))
   (  segid "    " and resid 84   and name HD1%)
      3.100     1.200     1.200 peak    19 spectrum    1 weight  0.10000E+01 volume  0.19402E-03 ppm1      7.925 ppm2      0.787 CV     1
 OR {   19}
   (( segid "    " and resid 88   and name H   ))
   (  segid "    " and resid 84   and name HD2%)
 OR {   19}
   (( segid "    " and resid 88   and name H   ))
   (  segid "    " and resid 79   and name HD2%)
 OR {   19}
   (( segid "    " and resid 88   and name H   ))
   (  segid "    " and resid 76   and name HD1%)
 OR {   19}
   (( segid "    " and resid 88   and name H   ))
   (  segid "    " and resid 76   and name HD2%)
 OR {   19}
   (( segid "    " and resid 88   and name H   ))
   (  segid "    " and resid 72   and name HD1%)
 OR {   19}
   (( segid "    " and resid 88   and name H   ))
   (  segid "    " and resid 72   and name HD2%)
 OR {   19}
   (( segid "    " and resid 88   and name H   ))
   (  segid "    " and resid 54   and name HD1%)
 OR {   19}
   (( segid "    " and resid 88   and name H   ))
   (  segid "    " and resid 44   and name HG2%)
 OR {   19}
   (( segid "    " and resid 88   and name H   ))
   (  segid "    " and resid 40   and name HD2%)
 OR {   19}
   (( segid "    " and resid 88   and name H   ))
   (  segid "    " and resid 40   and name HD1%)
 OR {   19}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 52   and name HG13))
 OR {   19}
   (( segid "    " and resid 88   and name H   ))
   (  segid "    " and resid 29   and name HG1%)
 OR {   19}
   (( segid "    " and resid 88   and name H   ))
   (  segid "    " and resid 3    and name HD2%)
 OR {   19}
   (( segid "    " and resid 88   and name H   ))
   (  segid "    " and resid 27   and name HD1%)
 OR {   19}
   (( segid "    " and resid 88   and name H   ))
   (  segid "    " and resid 26   and name HG1%)
 OR {   19}
   (( segid "    " and resid 88   and name H   ))
   (  segid "    " and resid 3    and name HD1%)
 OR {   19}
   (( segid "    " and resid 88   and name H   ))
   (  segid "    " and resid 2    and name HD1%)
 OR {   19}
   (( segid "    " and resid 88   and name H   ))
   (  segid "    " and resid 2    and name HD2%)
 OR {   19}
   (( segid "    " and resid 88   and name H   ))
   (  segid "    " and resid 18   and name HD2%)
 OR {   19}
   (( segid "    " and resid 88   and name H   ))
   (  segid "    " and resid 22   and name HD1%)
 OR {   19}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 23   and name HB3 ))
 ASSI {   20}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 85   and name HG3 ))
      3.100     1.200     1.200 peak    20 spectrum    1 weight  0.10000E+01 volume  0.17509E-03 ppm1      7.922 ppm2      1.514 CV     1
 OR {   20}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {   20}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 84   and name HB3 ))
 OR {   20}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 84   and name HG  ))
 OR {   20}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 84   and name HB2 ))
 OR {   20}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 76   and name HB3 ))
 OR {   20}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 76   and name HB2 ))
 OR {   20}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 72   and name HB3 ))
 OR {   20}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {   20}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {   20}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 70   and name HG2 ))
 OR {   20}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 70   and name HG3 ))
 OR {   20}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 61   and name HB3 ))
 OR {   20}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 50   and name HG2 ))
 OR {   20}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 47   and name HG  ))
 OR {   20}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 52   and name HB  ))
 OR {   20}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 13   and name HG  ))
 OR {   20}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 15   and name HG2 ))
 OR {   20}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {   20}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 3    and name HB3 ))
 OR {   20}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {   20}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 3    and name HB2 ))
 OR {   20}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 3    and name HG  ))
 OR {   20}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 2    and name HB3 ))
 OR {   20}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 27   and name HG12))
 OR {   20}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 2    and name HB2 ))
 OR {   20}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 2    and name HG  ))
 OR {   20}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 18   and name HB2 ))
 OR {   20}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {   20}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 23   and name HB2 ))
 OR {   20}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {   20}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 22   and name HB3 ))
 ASSI {   22}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 86   and name HD2 ))
      4.400     2.500     1.600 peak    22 spectrum    1 weight  0.10000E+01 volume  0.37621E-03 ppm1      8.375 ppm2      1.547 CV     1
 OR {   22}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 86   and name HD3 ))
 OR {   22}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 85   and name HG3 ))
 OR {   22}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {   22}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 84   and name HB3 ))
 OR {   22}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 84   and name HG  ))
 OR {   22}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 84   and name HB2 ))
 OR {   22}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 78   and name HD3 ))
 OR {   22}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 78   and name HD2 ))
 OR {   22}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 76   and name HB3 ))
 OR {   22}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 76   and name HG  ))
 OR {   22}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 76   and name HB2 ))
 OR {   22}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 72   and name HB3 ))
 OR {   22}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {   22}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {   22}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 70   and name HG2 ))
 OR {   22}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 70   and name HG3 ))
 OR {   22}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 61   and name HB3 ))
 OR {   22}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 47   and name HG  ))
 OR {   22}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 45   and name HG  ))
 OR {   22}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 52   and name HB  ))
 OR {   22}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 13   and name HG  ))
 OR {   22}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {   22}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 3    and name HB3 ))
 OR {   22}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {   22}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 3    and name HB2 ))
 OR {   22}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 3    and name HG  ))
 OR {   22}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 27   and name HG12))
 OR {   22}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 18   and name HB2 ))
 OR {   22}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {   22}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {   22}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {   22}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 22   and name HB3 ))
 OR {   22}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 21   and name HD2 ))
 OR {   22}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 21   and name HD3 ))
 ASSI {   23}
   (( segid "    " and resid 87   and name H   ))
   (  segid "    " and resid 84   and name HD1%)
      3.000     1.100     1.100 peak    23 spectrum    1 weight  0.10000E+01 volume  0.25791E-03 ppm1      8.376 ppm2      0.780 CV     1
 OR {   23}
   (( segid "    " and resid 87   and name H   ))
   (  segid "    " and resid 84   and name HD2%)
 OR {   23}
   (( segid "    " and resid 87   and name H   ))
   (  segid "    " and resid 79   and name HD2%)
 OR {   23}
   (( segid "    " and resid 87   and name H   ))
   (  segid "    " and resid 76   and name HD1%)
 OR {   23}
   (( segid "    " and resid 87   and name H   ))
   (  segid "    " and resid 76   and name HD2%)
 OR {   23}
   (( segid "    " and resid 87   and name H   ))
   (  segid "    " and resid 72   and name HD1%)
 OR {   23}
   (( segid "    " and resid 87   and name H   ))
   (  segid "    " and resid 72   and name HD2%)
 OR {   23}
   (( segid "    " and resid 87   and name H   ))
   (  segid "    " and resid 54   and name HD1%)
 OR {   23}
   (( segid "    " and resid 87   and name H   ))
   (  segid "    " and resid 44   and name HG2%)
 OR {   23}
   (( segid "    " and resid 87   and name H   ))
   (  segid "    " and resid 40   and name HD2%)
 OR {   23}
   (( segid "    " and resid 87   and name H   ))
   (  segid "    " and resid 40   and name HD1%)
 OR {   23}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 52   and name HG13))
 OR {   23}
   (( segid "    " and resid 87   and name H   ))
   (  segid "    " and resid 29   and name HG1%)
 OR {   23}
   (( segid "    " and resid 87   and name H   ))
   (  segid "    " and resid 3    and name HD2%)
 OR {   23}
   (( segid "    " and resid 87   and name H   ))
   (  segid "    " and resid 27   and name HD1%)
 OR {   23}
   (( segid "    " and resid 87   and name H   ))
   (  segid "    " and resid 26   and name HG1%)
 OR {   23}
   (( segid "    " and resid 87   and name H   ))
   (  segid "    " and resid 3    and name HD1%)
 OR {   23}
   (( segid "    " and resid 87   and name H   ))
   (  segid "    " and resid 2    and name HD1%)
 OR {   23}
   (( segid "    " and resid 87   and name H   ))
   (  segid "    " and resid 2    and name HD2%)
 OR {   23}
   (( segid "    " and resid 87   and name H   ))
   (  segid "    " and resid 18   and name HD2%)
 OR {   23}
   (( segid "    " and resid 87   and name H   ))
   (  segid "    " and resid 22   and name HD1%)
 OR {   23}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 23   and name HB3 ))
 ASSI {   24}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 86   and name HB3 ))
      2.500     0.800     0.800 peak    24 spectrum    1 weight  0.10000E+01 volume  0.45405E-02 ppm1      8.231 ppm2      1.769 CV     1
 OR {   24}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 85   and name HB3 ))
 OR {   24}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 78   and name HB2 ))
 OR {   24}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 77   and name HB2 ))
 OR {   24}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 71   and name HB3 ))
 OR {   24}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 70   and name HB3 ))
 OR {   24}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 70   and name HB2 ))
 OR {   24}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 68   and name HG3 ))
 OR {   24}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 50   and name HB2 ))
 OR {   24}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {   24}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 41   and name HB2 ))
 OR {   24}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 41   and name HB3 ))
 OR {   24}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 32   and name HB3 ))
 OR {   24}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 29   and name HB  ))
 OR {   24}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 16   and name HB2 ))
 OR {   24}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 4    and name HB2 ))
 OR {   24}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 27   and name HB  ))
 OR {   24}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 17   and name HB3 ))
 OR {   24}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 18   and name HG  ))
 OR {   24}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 24   and name HB3 ))
 OR {   24}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 24   and name HG2 ))
 ASSI {   25}
   (( segid "    " and resid 85   and name H   ))
   (  segid "    " and resid 83   and name HE% )
      4.300     2.300     1.700 peak    25 spectrum    1 weight  0.10000E+01 volume  0.37148E-03 ppm1      8.117 ppm2      2.022 CV     1
 OR {   25}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 83   and name HB3 ))
 OR {   25}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 87   and name HB2 ))
 OR {   25}
   (( segid "    " and resid 85   and name H   ))
   (  segid "    " and resid 87   and name HE% )
 OR {   25}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 69   and name HB3 ))
 OR {   25}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 66   and name HB3 ))
 OR {   25}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {   25}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 63   and name HB2 ))
 OR {   25}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 59   and name HB2 ))
 OR {   25}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 59   and name HG2 ))
 OR {   25}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 59   and name HG3 ))
 OR {   25}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 57   and name HB3 ))
 OR {   25}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 56   and name HB2 ))
 OR {   25}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 12   and name HB3 ))
 OR {   25}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 33   and name HG3 ))
 OR {   25}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 33   and name HB2 ))
 OR {   25}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 30   and name HB2 ))
 OR {   25}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 28   and name HB2 ))
 OR {   25}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {   25}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 17   and name HG3 ))
 OR {   25}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 25   and name HB3 ))
 OR {   25}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 25   and name HB2 ))
 ASSI {   26}
   (( segid "    " and resid 85   and name H   ))
   (  segid "    " and resid 83   and name HE% )
      4.300     2.300     1.700 peak    26 spectrum    1 weight  0.10000E+01 volume  0.36438E-03 ppm1      8.116 ppm2      1.975 CV     1
 OR {   26}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 83   and name HB2 ))
 OR {   26}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 83   and name HB3 ))
 OR {   26}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 87   and name HB3 ))
 OR {   26}
   (( segid "    " and resid 85   and name H   ))
   (  segid "    " and resid 87   and name HE% )
 OR {   26}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 69   and name HB2 ))
 OR {   26}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 69   and name HB3 ))
 OR {   26}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 66   and name HB3 ))
 OR {   26}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 66   and name HB2 ))
 OR {   26}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {   26}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 63   and name HB2 ))
 OR {   26}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 59   and name HB2 ))
 OR {   26}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 59   and name HG2 ))
 OR {   26}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 57   and name HB3 ))
 OR {   26}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 49   and name HB3 ))
 OR {   26}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 44   and name HB  ))
 OR {   26}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 12   and name HB2 ))
 OR {   26}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 12   and name HB3 ))
 OR {   26}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 13   and name HB3 ))
 OR {   26}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 33   and name HB2 ))
 OR {   26}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 5    and name HG2 ))
 OR {   26}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 30   and name HB2 ))
 OR {   26}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 5    and name HG3 ))
 OR {   26}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 4    and name HG3 ))
 OR {   26}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 28   and name HB2 ))
 OR {   26}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {   26}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 25   and name HB2 ))
 ASSI {   27}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 83   and name HG3 ))
      3.300     1.300     1.300 peak    27 spectrum    1 weight  0.10000E+01 volume  0.21769E-03 ppm1      8.119 ppm2      2.482 CV     1
 OR {   27}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 83   and name HG2 ))
 OR {   27}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 87   and name HG2 ))
 OR {   27}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 87   and name HG3 ))
 OR {   27}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 10   and name HB3 ))
 OR {   27}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 35   and name HB2 ))
 OR {   27}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 37   and name HB3 ))
 ASSI {   28}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 82   and name HA3 ))
      2.900     1.000     1.000 peak    28 spectrum    1 weight  0.10000E+01 volume  0.31706E-03 ppm1      8.118 ppm2      3.816 CV     1
 OR {   28}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 82   and name HA2 ))
 OR {   28}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 36   and name HA2 ))
 OR {   28}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 34   and name HA  ))
 OR {   28}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 6    and name HB2 ))
 OR {   28}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 6    and name HB3 ))
 OR {   28}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 4    and name HD3 ))
 OR {   28}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 19   and name HB3 ))
 OR {   28}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 21   and name HA  ))
 ASSI {   29}
   (( segid "    " and resid 83   and name H   ))
   (  segid "    " and resid 84   and name HD2%)
      4.600     2.600     1.400 peak    29 spectrum    1 weight  0.10000E+01 volume  0.45192E-03 ppm1      7.984 ppm2      0.773 CV     1
 OR {   29}
   (( segid "    " and resid 83   and name H   ))
   (  segid "    " and resid 84   and name HD1%)
 OR {   29}
   (( segid "    " and resid 83   and name H   ))
   (  segid "    " and resid 79   and name HD2%)
 OR {   29}
   (( segid "    " and resid 83   and name H   ))
   (  segid "    " and resid 76   and name HD1%)
 OR {   29}
   (( segid "    " and resid 83   and name H   ))
   (  segid "    " and resid 76   and name HD2%)
 OR {   29}
   (( segid "    " and resid 83   and name H   ))
   (  segid "    " and resid 72   and name HD1%)
 OR {   29}
   (( segid "    " and resid 83   and name H   ))
   (  segid "    " and resid 72   and name HD2%)
 OR {   29}
   (( segid "    " and resid 83   and name H   ))
   (  segid "    " and resid 47   and name HD2%)
 OR {   29}
   (( segid "    " and resid 83   and name H   ))
   (  segid "    " and resid 47   and name HD1%)
 OR {   29}
   (( segid "    " and resid 83   and name H   ))
   (  segid "    " and resid 54   and name HD1%)
 OR {   29}
   (( segid "    " and resid 83   and name H   ))
   (  segid "    " and resid 44   and name HG2%)
 OR {   29}
   (( segid "    " and resid 83   and name H   ))
   (  segid "    " and resid 40   and name HD2%)
 OR {   29}
   (( segid "    " and resid 83   and name H   ))
   (  segid "    " and resid 40   and name HD1%)
 OR {   29}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 52   and name HG13))
 OR {   29}
   (( segid "    " and resid 83   and name H   ))
   (  segid "    " and resid 29   and name HG1%)
 OR {   29}
   (( segid "    " and resid 83   and name H   ))
   (  segid "    " and resid 27   and name HD1%)
 OR {   29}
   (( segid "    " and resid 83   and name H   ))
   (  segid "    " and resid 2    and name HD1%)
 OR {   29}
   (( segid "    " and resid 83   and name H   ))
   (  segid "    " and resid 2    and name HD2%)
 OR {   29}
   (( segid "    " and resid 83   and name H   ))
   (  segid "    " and resid 18   and name HD2%)
 OR {   29}
   (( segid "    " and resid 83   and name H   ))
   (  segid "    " and resid 22   and name HD1%)
 OR {   29}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 23   and name HB3 ))
 ASSI {   30}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 84   and name HB2 ))
      3.700     1.800     1.800 peak    30 spectrum    1 weight  0.10000E+01 volume  0.83285E-03 ppm1      7.983 ppm2      1.547 CV     1
 OR {   30}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 84   and name HB3 ))
 OR {   30}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 84   and name HG  ))
 OR {   30}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {   30}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 85   and name HG3 ))
 OR {   30}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 86   and name HD3 ))
 OR {   30}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 86   and name HD2 ))
 OR {   30}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 78   and name HD3 ))
 OR {   30}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 78   and name HD2 ))
 OR {   30}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 76   and name HG  ))
 OR {   30}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 76   and name HB3 ))
 OR {   30}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 76   and name HB2 ))
 OR {   30}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 72   and name HB3 ))
 OR {   30}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {   30}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {   30}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 70   and name HG2 ))
 OR {   30}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 70   and name HG3 ))
 OR {   30}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 61   and name HB3 ))
 OR {   30}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 47   and name HG  ))
 OR {   30}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 45   and name HG  ))
 OR {   30}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 52   and name HB  ))
 OR {   30}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 13   and name HG  ))
 OR {   30}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 15   and name HG2 ))
 OR {   30}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {   30}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 3    and name HB3 ))
 OR {   30}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {   30}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 3    and name HB2 ))
 OR {   30}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 3    and name HG  ))
 OR {   30}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 27   and name HG12))
 OR {   30}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 18   and name HB2 ))
 OR {   30}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {   30}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {   30}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {   30}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 22   and name HB3 ))
 OR {   30}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 21   and name HD2 ))
 OR {   30}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 21   and name HD3 ))
 ASSI {   31}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 80   and name HB3 ))
      2.800     1.000     1.000 peak    31 spectrum    1 weight  0.10000E+01 volume  0.36438E-03 ppm1      7.986 ppm2      2.741 CV     1
 OR {   31}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 58   and name HB2 ))
 OR {   31}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 55   and name HB3 ))
 OR {   31}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 10   and name HB2 ))
 OR {   31}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 15   and name HD2 ))
 ASSI {   32}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 81   and name HB3 ))
      3.100     1.200     1.200 peak    32 spectrum    1 weight  0.10000E+01 volume  0.27446E-03 ppm1      7.985 ppm2      2.896 CV     1
 OR {   32}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 78   and name HE2 ))
 OR {   32}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 78   and name HE3 ))
 OR {   32}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 86   and name HE2 ))
 OR {   32}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 86   and name HE3 ))
 OR {   32}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 71   and name HE2 ))
 OR {   32}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 71   and name HE3 ))
 OR {   32}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 55   and name HB2 ))
 OR {   32}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 9    and name HB3 ))
 OR {   32}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 38   and name HB2 ))
 OR {   32}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 15   and name HD3 ))
 OR {   32}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 16   and name HE3 ))
 OR {   32}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 16   and name HE2 ))
 OR {   32}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 25   and name HE2 ))
 OR {   32}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 25   and name HE3 ))
 OR {   32}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 21   and name HE3 ))
 OR {   32}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 21   and name HE2 ))
 ASSI {   33}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 81   and name HB2 ))
      3.500     1.500     1.500 peak    33 spectrum    1 weight  0.10000E+01 volume  0.43772E-03 ppm1      7.984 ppm2      3.090 CV     1
 OR {   33}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 85   and name HD3 ))
 OR {   33}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 85   and name HD2 ))
 OR {   33}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 73   and name HB2 ))
 OR {   33}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 70   and name HD3 ))
 OR {   33}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 70   and name HD2 ))
 OR {   33}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 67   and name HB3 ))
 OR {   33}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 65   and name HB2 ))
 OR {   33}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 64   and name HB2 ))
 OR {   33}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 64   and name HB3 ))
 OR {   33}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 58   and name HB3 ))
 OR {   33}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 46   and name HB3 ))
 OR {   33}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 50   and name HD2 ))
 OR {   33}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 50   and name HD3 ))
 OR {   33}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 39   and name HB2 ))
 OR {   33}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 14   and name HB2 ))
 OR {   33}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 14   and name HB3 ))
 OR {   33}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 1    and name HB3 ))
 OR {   33}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 1    and name HB2 ))
 OR {   33}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 24   and name HD3 ))
 OR {   33}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 24   and name HD2 ))
 ASSI {   34}
   (( segid "    " and resid 82   and name H   ))
   (( segid "    " and resid 80   and name HA  ))
      2.700     0.900     0.900 peak    34 spectrum    1 weight  0.10000E+01 volume  0.44246E-03 ppm1      8.420 ppm2      4.637 CV     1
 OR {   34}
   (( segid "    " and resid 82   and name H   ))
   (( segid "    " and resid 73   and name HA  ))
 OR {   34}
   (( segid "    " and resid 82   and name H   ))
   (( segid "    " and resid 58   and name HA  ))
 OR {   34}
   (( segid "    " and resid 82   and name H   ))
   (( segid "    " and resid 50   and name HA  ))
 OR {   34}
   (( segid "    " and resid 82   and name H   ))
   (( segid "    " and resid 41   and name HA  ))
 OR {   34}
   (( segid "    " and resid 82   and name H   ))
   (( segid "    " and resid 38   and name HA  ))
 OR {   34}
   (( segid "    " and resid 82   and name H   ))
   (( segid "    " and resid 39   and name HA  ))
 OR {   34}
   (( segid "    " and resid 82   and name H   ))
   (( segid "    " and resid 35   and name HA  ))
 OR {   34}
   (( segid "    " and resid 82   and name H   ))
   (( segid "    " and resid 4    and name HA  ))
 OR {   34}
   (( segid "    " and resid 82   and name H   ))
   (( segid "    " and resid 28   and name HA  ))
 ASSI {   35}
   (( segid "    " and resid 81   and name H   ))
   (( segid "    " and resid 82   and name HA2 ))
      4.000     2.000     2.000 peak    35 spectrum    1 weight  0.10000E+01 volume  0.51579E-03 ppm1      8.215 ppm2      3.823 CV     1
 OR {   35}
   (( segid "    " and resid 81   and name H   ))
   (( segid "    " and resid 82   and name HA3 ))
 OR {   35}
   (( segid "    " and resid 81   and name H   ))
   (( segid "    " and resid 36   and name HA2 ))
 OR {   35}
   (( segid "    " and resid 81   and name H   ))
   (( segid "    " and resid 6    and name HB2 ))
 OR {   35}
   (( segid "    " and resid 81   and name H   ))
   (( segid "    " and resid 34   and name HA  ))
 OR {   35}
   (( segid "    " and resid 81   and name H   ))
   (( segid "    " and resid 6    and name HB3 ))
 OR {   35}
   (( segid "    " and resid 81   and name H   ))
   (( segid "    " and resid 4    and name HD3 ))
 OR {   35}
   (( segid "    " and resid 81   and name H   ))
   (( segid "    " and resid 19   and name HB3 ))
 OR {   35}
   (( segid "    " and resid 81   and name H   ))
   (( segid "    " and resid 21   and name HA  ))
 ASSI {   36}
   (( segid "    " and resid 81   and name H   ))
   (  segid "    " and resid 79   and name HD2%)
      4.500     2.500     1.500 peak    36 spectrum    1 weight  0.10000E+01 volume  0.42117E-03 ppm1      8.215 ppm2      0.707 CV     1
 OR {   36}
   (( segid "    " and resid 81   and name H   ))
   (  segid "    " and resid 79   and name HD1%)
 OR {   36}
   (( segid "    " and resid 81   and name H   ))
   (  segid "    " and resid 84   and name HD2%)
 OR {   36}
   (( segid "    " and resid 81   and name H   ))
   (  segid "    " and resid 72   and name HD1%)
 OR {   36}
   (( segid "    " and resid 81   and name H   ))
   (  segid "    " and resid 47   and name HD2%)
 OR {   36}
   (( segid "    " and resid 81   and name H   ))
   (  segid "    " and resid 47   and name HD1%)
 OR {   36}
   (( segid "    " and resid 81   and name H   ))
   (  segid "    " and resid 44   and name HG2%)
 OR {   36}
   (( segid "    " and resid 81   and name H   ))
   (  segid "    " and resid 52   and name HG2%)
 OR {   36}
   (( segid "    " and resid 81   and name H   ))
   (  segid "    " and resid 40   and name HD2%)
 OR {   36}
   (( segid "    " and resid 81   and name H   ))
   (  segid "    " and resid 31   and name HD1%)
 OR {   36}
   (( segid "    " and resid 81   and name H   ))
   (  segid "    " and resid 29   and name HG1%)
 OR {   36}
   (( segid "    " and resid 81   and name H   ))
   (  segid "    " and resid 27   and name HD1%)
 OR {   36}
   (( segid "    " and resid 81   and name H   ))
   (  segid "    " and resid 26   and name HG2%)
 OR {   36}
   (( segid "    " and resid 81   and name H   ))
   (  segid "    " and resid 18   and name HD2%)
 OR {   36}
   (( segid "    " and resid 81   and name H   ))
   (  segid "    " and resid 18   and name HD1%)
 OR {   36}
   (( segid "    " and resid 81   and name H   ))
   (  segid "    " and resid 22   and name HD1%)
 OR {   36}
   (( segid "    " and resid 81   and name H   ))
   (  segid "    " and resid 22   and name HD2%)
 ASSI {   37}
   (( segid "    " and resid 80   and name H   ))
   (  segid "    " and resid 81   and name HE% )
      5.200     3.300     0.800 peak    37 spectrum    1 weight  0.10000E+01 volume  0.23662E-03 ppm1      8.253 ppm2      7.174 CV     1
 OR {   37}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 85   and name HE  ))
 OR {   37}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 73   and name HD2 ))
 OR {   37}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 70   and name HE  ))
 OR {   37}
   (( segid "    " and resid 80   and name H   ))
   (  segid "    " and resid 65   and name HD% )
 OR {   37}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 64   and name HZ2 ))
 OR {   37}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 58   and name HD22))
 OR {   37}
   (( segid "    " and resid 80   and name H   ))
   (  segid "    " and resid 43   and name HE% )
 OR {   37}
   (( segid "    " and resid 80   and name H   ))
   (  segid "    " and resid 1    and name HD% )
 OR {   37}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 26   and name H   ))
 OR {   37}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 22   and name H   ))
 ASSI {   38}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 81   and name HB2 ))
      4.800     2.800     1.200 peak    38 spectrum    1 weight  0.10000E+01 volume  0.25317E-03 ppm1      8.248 ppm2      3.108 CV     1
 OR {   38}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 85   and name HD3 ))
 OR {   38}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 85   and name HD2 ))
 OR {   38}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 73   and name HB2 ))
 OR {   38}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 70   and name HD3 ))
 OR {   38}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 70   and name HD2 ))
 OR {   38}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 67   and name HB2 ))
 OR {   38}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 67   and name HB3 ))
 OR {   38}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 65   and name HB2 ))
 OR {   38}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 64   and name HB2 ))
 OR {   38}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 58   and name HB3 ))
 OR {   38}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 46   and name HB2 ))
 OR {   38}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 50   and name HD3 ))
 OR {   38}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 38   and name HB3 ))
 OR {   38}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 39   and name HB2 ))
 OR {   38}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 14   and name HB2 ))
 OR {   38}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 14   and name HB3 ))
 OR {   38}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 1    and name HB3 ))
 OR {   38}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 1    and name HB2 ))
 OR {   38}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 24   and name HD3 ))
 OR {   38}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 24   and name HD2 ))
 ASSI {   39}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 83   and name HB3 ))
      4.400     2.400     1.600 peak    39 spectrum    1 weight  0.10000E+01 volume  0.33835E-03 ppm1      8.252 ppm2      1.984 CV     1
 OR {   39}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 83   and name HB2 ))
 OR {   39}
   (( segid "    " and resid 80   and name H   ))
   (  segid "    " and resid 83   and name HE% )
 OR {   39}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 87   and name HB3 ))
 OR {   39}
   (( segid "    " and resid 80   and name H   ))
   (  segid "    " and resid 87   and name HE% )
 OR {   39}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 69   and name HB2 ))
 OR {   39}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 69   and name HB3 ))
 OR {   39}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 66   and name HB3 ))
 OR {   39}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 66   and name HB2 ))
 OR {   39}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {   39}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 63   and name HB2 ))
 OR {   39}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 59   and name HB2 ))
 OR {   39}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 59   and name HG2 ))
 OR {   39}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 57   and name HB3 ))
 OR {   39}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 49   and name HB3 ))
 OR {   39}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 44   and name HB  ))
 OR {   39}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 12   and name HB3 ))
 OR {   39}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 13   and name HB3 ))
 OR {   39}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 33   and name HB2 ))
 OR {   39}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 5    and name HG2 ))
 OR {   39}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 30   and name HB2 ))
 OR {   39}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 5    and name HG3 ))
 OR {   39}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 4    and name HG3 ))
 OR {   39}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 28   and name HB2 ))
 OR {   39}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {   39}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 17   and name HG3 ))
 OR {   39}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 25   and name HB3 ))
 OR {   39}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 25   and name HB2 ))
 ASSI {   40}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 78   and name HB2 ))
      2.700     0.900     0.900 peak    40 spectrum    1 weight  0.10000E+01 volume  0.43299E-03 ppm1      8.250 ppm2      1.735 CV     1
 OR {   40}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 78   and name HB3 ))
 OR {   40}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 77   and name HB2 ))
 OR {   40}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 85   and name HB3 ))
 OR {   40}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 85   and name HB2 ))
 OR {   40}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 86   and name HB2 ))
 OR {   40}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 86   and name HB3 ))
 OR {   40}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 71   and name HB3 ))
 OR {   40}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 71   and name HB2 ))
 OR {   40}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 70   and name HB3 ))
 OR {   40}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 70   and name HB2 ))
 OR {   40}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 68   and name HG3 ))
 OR {   40}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 68   and name HB3 ))
 OR {   40}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 56   and name HG3 ))
 OR {   40}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {   40}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 41   and name HB2 ))
 OR {   40}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 41   and name HB3 ))
 OR {   40}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 32   and name HB3 ))
 OR {   40}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 29   and name HB  ))
 OR {   40}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 16   and name HB2 ))
 OR {   40}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 17   and name HB3 ))
 OR {   40}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 18   and name HG  ))
 OR {   40}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 25   and name HD3 ))
 OR {   40}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 24   and name HB3 ))
 OR {   40}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 24   and name HG2 ))
 OR {   40}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 24   and name HG3 ))
 OR {   40}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 21   and name HB3 ))
 OR {   40}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 21   and name HB2 ))
 ASSI {   41}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 78   and name HD3 ))
      3.000     1.100     1.100 peak    41 spectrum    1 weight  0.10000E+01 volume  0.23662E-03 ppm1      8.250 ppm2      1.582 CV     1
 OR {   41}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 78   and name HD2 ))
 OR {   41}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 76   and name HG  ))
 OR {   41}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 76   and name HB2 ))
 OR {   41}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 84   and name HB3 ))
 OR {   41}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 84   and name HG  ))
 OR {   41}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {   41}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 85   and name HG3 ))
 OR {   41}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 86   and name HD3 ))
 OR {   41}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 86   and name HD2 ))
 OR {   41}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {   41}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {   41}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 70   and name HG2 ))
 OR {   41}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 70   and name HG3 ))
 OR {   41}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 61   and name HB3 ))
 OR {   41}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 47   and name HG  ))
 OR {   41}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 45   and name HG  ))
 OR {   41}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 45   and name HB3 ))
 OR {   41}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 13   and name HG  ))
 OR {   41}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 31   and name HB2 ))
 OR {   41}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {   41}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {   41}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 3    and name HG  ))
 OR {   41}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {   41}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {   41}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {   41}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 22   and name HB3 ))
 OR {   41}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 21   and name HD2 ))
 OR {   41}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 21   and name HD3 ))
 ASSI {   42}
   (( segid "    " and resid 79   and name H   ))
   (( segid "    " and resid 78   and name HB2 ))
      2.700     0.900     0.900 peak    42 spectrum    1 weight  0.10000E+01 volume  0.25435E-02 ppm1      8.093 ppm2      1.724 CV     1
 OR {   42}
   (( segid "    " and resid 79   and name H   ))
   (( segid "    " and resid 78   and name HB3 ))
 OR {   42}
   (( segid "    " and resid 79   and name H   ))
   (( segid "    " and resid 77   and name HB2 ))
 OR {   42}
   (( segid "    " and resid 79   and name H   ))
   (( segid "    " and resid 85   and name HB3 ))
 OR {   42}
   (( segid "    " and resid 79   and name H   ))
   (( segid "    " and resid 85   and name HB2 ))
 OR {   42}
   (( segid "    " and resid 79   and name H   ))
   (( segid "    " and resid 86   and name HB2 ))
 OR {   42}
   (( segid "    " and resid 79   and name H   ))
   (( segid "    " and resid 86   and name HB3 ))
 OR {   42}
   (( segid "    " and resid 79   and name H   ))
   (( segid "    " and resid 71   and name HB3 ))
 OR {   42}
   (( segid "    " and resid 79   and name H   ))
   (( segid "    " and resid 71   and name HB2 ))
 OR {   42}
   (( segid "    " and resid 79   and name H   ))
   (( segid "    " and resid 70   and name HB3 ))
 OR {   42}
   (( segid "    " and resid 79   and name H   ))
   (( segid "    " and resid 70   and name HB2 ))
 OR {   42}
   (( segid "    " and resid 79   and name H   ))
   (( segid "    " and resid 68   and name HG3 ))
 OR {   42}
   (( segid "    " and resid 79   and name H   ))
   (( segid "    " and resid 68   and name HB3 ))
 OR {   42}
   (( segid "    " and resid 79   and name H   ))
   (( segid "    " and resid 56   and name HG3 ))
 OR {   42}
   (( segid "    " and resid 79   and name H   ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {   42}
   (( segid "    " and resid 79   and name H   ))
   (( segid "    " and resid 33   and name HB3 ))
 OR {   42}
   (( segid "    " and resid 79   and name H   ))
   (( segid "    " and resid 32   and name HB3 ))
 OR {   42}
   (( segid "    " and resid 79   and name H   ))
   (( segid "    " and resid 29   and name HB  ))
 OR {   42}
   (( segid "    " and resid 79   and name H   ))
   (( segid "    " and resid 16   and name HB2 ))
 OR {   42}
   (( segid "    " and resid 79   and name H   ))
   (( segid "    " and resid 17   and name HB3 ))
 OR {   42}
   (( segid "    " and resid 79   and name H   ))
   (( segid "    " and resid 18   and name HG  ))
 OR {   42}
   (( segid "    " and resid 79   and name H   ))
   (( segid "    " and resid 25   and name HD3 ))
 OR {   42}
   (( segid "    " and resid 79   and name H   ))
   (( segid "    " and resid 24   and name HB3 ))
 OR {   42}
   (( segid "    " and resid 79   and name H   ))
   (( segid "    " and resid 24   and name HG2 ))
 OR {   42}
   (( segid "    " and resid 79   and name H   ))
   (( segid "    " and resid 24   and name HG3 ))
 OR {   42}
   (( segid "    " and resid 79   and name H   ))
   (( segid "    " and resid 21   and name HB3 ))
 OR {   42}
   (( segid "    " and resid 79   and name H   ))
   (( segid "    " and resid 21   and name HB2 ))
 ASSI {   43}
   (( segid "    " and resid 79   and name H   ))
   (  segid "    " and resid 79   and name HD1%)
      2.700     0.900     0.900 peak    43 spectrum    1 weight  0.10000E+01 volume  0.15805E-02 ppm1      8.093 ppm2      0.701 CV     1
 OR {   43}
   (( segid "    " and resid 79   and name H   ))
   (  segid "    " and resid 79   and name HD2%)
 OR {   43}
   (( segid "    " and resid 79   and name H   ))
   (  segid "    " and resid 84   and name HD2%)
 OR {   43}
   (( segid "    " and resid 79   and name H   ))
   (  segid "    " and resid 72   and name HD1%)
 OR {   43}
   (( segid "    " and resid 79   and name H   ))
   (  segid "    " and resid 47   and name HD2%)
 OR {   43}
   (( segid "    " and resid 79   and name H   ))
   (  segid "    " and resid 47   and name HD1%)
 OR {   43}
   (( segid "    " and resid 79   and name H   ))
   (  segid "    " and resid 52   and name HG2%)
 OR {   43}
   (( segid "    " and resid 79   and name H   ))
   (  segid "    " and resid 40   and name HD2%)
 OR {   43}
   (( segid "    " and resid 79   and name H   ))
   (  segid "    " and resid 31   and name HD1%)
 OR {   43}
   (( segid "    " and resid 79   and name H   ))
   (  segid "    " and resid 29   and name HG1%)
 OR {   43}
   (( segid "    " and resid 79   and name H   ))
   (  segid "    " and resid 27   and name HD1%)
 OR {   43}
   (( segid "    " and resid 79   and name H   ))
   (  segid "    " and resid 26   and name HG2%)
 OR {   43}
   (( segid "    " and resid 79   and name H   ))
   (  segid "    " and resid 18   and name HD2%)
 OR {   43}
   (( segid "    " and resid 79   and name H   ))
   (  segid "    " and resid 18   and name HD1%)
 OR {   43}
   (( segid "    " and resid 79   and name H   ))
   (  segid "    " and resid 22   and name HD1%)
 OR {   43}
   (( segid "    " and resid 79   and name H   ))
   (  segid "    " and resid 22   and name HD2%)
 ASSI {   44}
   (( segid "    " and resid 79   and name H   ))
   (( segid "    " and resid 77   and name HB3 ))
      2.900     1.000     1.000 peak    44 spectrum    1 weight  0.10000E+01 volume  0.30049E-03 ppm1      8.092 ppm2      2.146 CV     1
 OR {   44}
   (( segid "    " and resid 79   and name H   ))
   (( segid "    " and resid 69   and name HG2 ))
 OR {   44}
   (( segid "    " and resid 79   and name H   ))
   (( segid "    " and resid 66   and name HG2 ))
 OR {   44}
   (( segid "    " and resid 79   and name H   ))
   (( segid "    " and resid 32   and name HG3 ))
 OR {   44}
   (( segid "    " and resid 79   and name H   ))
   (( segid "    " and resid 5    and name HB2 ))
 OR {   44}
   (( segid "    " and resid 79   and name H   ))
   (( segid "    " and resid 30   and name HB3 ))
 OR {   44}
   (( segid "    " and resid 79   and name H   ))
   (( segid "    " and resid 30   and name HG3 ))
 OR {   44}
   (( segid "    " and resid 79   and name H   ))
   (( segid "    " and resid 28   and name HG3 ))
 OR {   44}
   (( segid "    " and resid 79   and name H   ))
   (( segid "    " and resid 17   and name HB2 ))
 OR {   44}
   (( segid "    " and resid 79   and name H   ))
   (( segid "    " and resid 26   and name HB  ))
 ASSI {   45}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 78   and name HB3 ))
      3.000     1.100     1.100 peak    45 spectrum    1 weight  0.10000E+01 volume  0.43962E-02 ppm1      8.207 ppm2      1.722 CV     1
 OR {   45}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 77   and name HB2 ))
 OR {   45}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 78   and name HB2 ))
 OR {   45}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 71   and name HB3 ))
 OR {   45}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 85   and name HB3 ))
 OR {   45}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 71   and name HB2 ))
 OR {   45}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 85   and name HB2 ))
 OR {   45}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 70   and name HB3 ))
 OR {   45}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 86   and name HB2 ))
 OR {   45}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 70   and name HB2 ))
 OR {   45}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 86   and name HB3 ))
 OR {   45}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 68   and name HG3 ))
 OR {   45}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 68   and name HB3 ))
 OR {   45}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 56   and name HG3 ))
 OR {   45}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {   45}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 33   and name HB3 ))
 OR {   45}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 32   and name HB3 ))
 OR {   45}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 29   and name HB  ))
 OR {   45}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 16   and name HB2 ))
 OR {   45}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 17   and name HB3 ))
 OR {   45}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 18   and name HG  ))
 OR {   45}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 25   and name HD3 ))
 OR {   45}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 24   and name HB3 ))
 OR {   45}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 24   and name HG2 ))
 OR {   45}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 24   and name HG3 ))
 OR {   45}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 21   and name HB3 ))
 OR {   45}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 21   and name HB2 ))
 ASSI {   46}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 78   and name HB3 ))
      2.800     1.000     1.000 peak    46 spectrum    1 weight  0.10000E+01 volume  0.50280E-02 ppm1      8.207 ppm2      1.662 CV     1
 OR {   46}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 78   and name HB2 ))
 OR {   46}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 78   and name HD2 ))
 OR {   46}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 78   and name HD3 ))
 OR {   46}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 76   and name HG  ))
 OR {   46}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 71   and name HB3 ))
 OR {   46}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 71   and name HB2 ))
 OR {   46}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 85   and name HB2 ))
 OR {   46}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 86   and name HB2 ))
 OR {   46}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 70   and name HB2 ))
 OR {   46}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 86   and name HD3 ))
 OR {   46}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 86   and name HD2 ))
 OR {   46}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 68   and name HB3 ))
 OR {   46}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 56   and name HG3 ))
 OR {   46}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {   46}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 45   and name HG  ))
 OR {   46}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 45   and name HB3 ))
 OR {   46}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 33   and name HB3 ))
 OR {   46}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 31   and name HB2 ))
 OR {   46}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 25   and name HD3 ))
 OR {   46}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {   46}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 24   and name HG3 ))
 OR {   46}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 21   and name HB3 ))
 OR {   46}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 21   and name HB2 ))
 OR {   46}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 21   and name HD2 ))
 OR {   46}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 21   and name HD3 ))
 ASSI {   47}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 78   and name HG2 ))
      3.100     1.200     1.200 peak    47 spectrum    1 weight  0.10000E+01 volume  0.18125E-02 ppm1      8.207 ppm2      1.386 CV     1
 OR {   47}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 78   and name HG3 ))
 OR {   47}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 79   and name HB2 ))
 OR {   47}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 79   and name HG  ))
 OR {   47}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 72   and name HG  ))
 OR {   47}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 72   and name HB2 ))
 OR {   47}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 71   and name HG3 ))
 OR {   47}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 86   and name HG2 ))
 OR {   47}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 86   and name HG3 ))
 OR {   47}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 61   and name HB2 ))
 OR {   47}
   (( segid "    " and resid 78   and name H   ))
   (  segid "    " and resid 48   and name HB% )
 OR {   47}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 56   and name HG2 ))
 OR {   47}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 40   and name HB2 ))
 OR {   47}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 15   and name HB2 ))
 OR {   47}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 15   and name HG3 ))
 OR {   47}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 25   and name HG2 ))
 OR {   47}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 23   and name HB2 ))
 OR {   47}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 23   and name HG  ))
 OR {   47}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 22   and name HG  ))
 OR {   47}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 21   and name HG2 ))
 ASSI {   48}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 76   and name HB2 ))
      3.700     1.700     1.700 peak    48 spectrum    1 weight  0.10000E+01 volume  0.64358E-03 ppm1      8.008 ppm2      1.560 CV     1
 OR {   48}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 76   and name HG  ))
 OR {   48}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 72   and name HB3 ))
 OR {   48}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {   48}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {   48}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 78   and name HD2 ))
 OR {   48}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 78   and name HD3 ))
 OR {   48}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 70   and name HG2 ))
 OR {   48}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 70   and name HG3 ))
 OR {   48}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 84   and name HB2 ))
 OR {   48}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 84   and name HB3 ))
 OR {   48}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 84   and name HG  ))
 OR {   48}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {   48}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 85   and name HG3 ))
 OR {   48}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 86   and name HD3 ))
 OR {   48}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 86   and name HD2 ))
 OR {   48}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 61   and name HB3 ))
 OR {   48}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 47   and name HG  ))
 OR {   48}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 45   and name HG  ))
 OR {   48}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 45   and name HB3 ))
 OR {   48}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 52   and name HB  ))
 OR {   48}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 13   and name HG  ))
 OR {   48}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 31   and name HB2 ))
 OR {   48}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {   48}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {   48}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 3    and name HG  ))
 OR {   48}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {   48}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {   48}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {   48}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 22   and name HB3 ))
 OR {   48}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 21   and name HD2 ))
 OR {   48}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 21   and name HD3 ))
 ASSI {   49}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 72   and name HG  ))
      3.500     1.500     1.500 peak    49 spectrum    1 weight  0.10000E+01 volume  0.23898E-03 ppm1      8.007 ppm2      1.407 CV     1
 OR {   49}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 72   and name HB2 ))
 OR {   49}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 78   and name HG3 ))
 OR {   49}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 79   and name HG  ))
 OR {   49}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 79   and name HB2 ))
 OR {   49}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 86   and name HG2 ))
 OR {   49}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 86   and name HG3 ))
 OR {   49}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 61   and name HB2 ))
 OR {   49}
   (( segid "    " and resid 75   and name H   ))
   (  segid "    " and resid 48   and name HB% )
 OR {   49}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 56   and name HG2 ))
 OR {   49}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 50   and name HG2 ))
 OR {   49}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 40   and name HB2 ))
 OR {   49}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 15   and name HB2 ))
 OR {   49}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 15   and name HG3 ))
 OR {   49}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 2    and name HB3 ))
 OR {   49}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 2    and name HB2 ))
 OR {   49}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 2    and name HG  ))
 OR {   49}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 25   and name HG2 ))
 OR {   49}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 23   and name HB2 ))
 OR {   49}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 23   and name HG  ))
 OR {   49}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 22   and name HG  ))
 OR {   49}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 21   and name HG2 ))
 ASSI {   50}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 72   and name HB2 ))
      4.100     2.100     1.900 peak    50 spectrum    1 weight  0.10000E+01 volume  0.24370E-03 ppm1      8.005 ppm2      1.358 CV     1
 OR {   50}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 78   and name HG2 ))
 OR {   50}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 78   and name HG3 ))
 OR {   50}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 71   and name HG3 ))
 OR {   50}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 86   and name HG2 ))
 OR {   50}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 86   and name HG3 ))
 OR {   50}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 61   and name HB2 ))
 OR {   50}
   (( segid "    " and resid 75   and name H   ))
   (  segid "    " and resid 48   and name HB% )
 OR {   50}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 56   and name HG2 ))
 OR {   50}
   (( segid "    " and resid 75   and name H   ))
   (  segid "    " and resid 8    and name HB% )
 OR {   50}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 40   and name HB2 ))
 OR {   50}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 15   and name HG3 ))
 OR {   50}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 25   and name HG2 ))
 OR {   50}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 23   and name HG  ))
 OR {   50}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 22   and name HG  ))
 OR {   50}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 21   and name HG3 ))
 ASSI {   51}
   (( segid "    " and resid 75   and name H   ))
   (  segid "    " and resid 76   and name HD2%)
      4.500     2.500     1.500 peak    51 spectrum    1 weight  0.10000E+01 volume  0.40460E-03 ppm1      8.011 ppm2      0.778 CV     1
 OR {   51}
   (( segid "    " and resid 75   and name H   ))
   (  segid "    " and resid 76   and name HD1%)
 OR {   51}
   (( segid "    " and resid 75   and name H   ))
   (  segid "    " and resid 72   and name HD1%)
 OR {   51}
   (( segid "    " and resid 75   and name H   ))
   (  segid "    " and resid 72   and name HD2%)
 OR {   51}
   (( segid "    " and resid 75   and name H   ))
   (  segid "    " and resid 79   and name HD2%)
 OR {   51}
   (( segid "    " and resid 75   and name H   ))
   (  segid "    " and resid 84   and name HD2%)
 OR {   51}
   (( segid "    " and resid 75   and name H   ))
   (  segid "    " and resid 84   and name HD1%)
 OR {   51}
   (( segid "    " and resid 75   and name H   ))
   (  segid "    " and resid 54   and name HD1%)
 OR {   51}
   (( segid "    " and resid 75   and name H   ))
   (  segid "    " and resid 44   and name HG2%)
 OR {   51}
   (( segid "    " and resid 75   and name H   ))
   (  segid "    " and resid 40   and name HD2%)
 OR {   51}
   (( segid "    " and resid 75   and name H   ))
   (  segid "    " and resid 40   and name HD1%)
 OR {   51}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 52   and name HG13))
 OR {   51}
   (( segid "    " and resid 75   and name H   ))
   (  segid "    " and resid 29   and name HG1%)
 OR {   51}
   (( segid "    " and resid 75   and name H   ))
   (  segid "    " and resid 3    and name HD2%)
 OR {   51}
   (( segid "    " and resid 75   and name H   ))
   (  segid "    " and resid 27   and name HD1%)
 OR {   51}
   (( segid "    " and resid 75   and name H   ))
   (  segid "    " and resid 2    and name HD1%)
 OR {   51}
   (( segid "    " and resid 75   and name H   ))
   (  segid "    " and resid 2    and name HD2%)
 OR {   51}
   (( segid "    " and resid 75   and name H   ))
   (  segid "    " and resid 18   and name HD2%)
 OR {   51}
   (( segid "    " and resid 75   and name H   ))
   (  segid "    " and resid 22   and name HD1%)
 OR {   51}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 23   and name HB3 ))
 ASSI {   52}
   (( segid "    " and resid 74   and name H   ))
   (( segid "    " and resid 72   and name HB3 ))
      3.900     2.000     2.000 peak    52 spectrum    1 weight  0.10000E+01 volume  0.19876E-03 ppm1      8.310 ppm2      1.524 CV     1
 OR {   52}
   (( segid "    " and resid 74   and name H   ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {   52}
   (( segid "    " and resid 74   and name H   ))
   (( segid "    " and resid 76   and name HB2 ))
 OR {   52}
   (( segid "    " and resid 74   and name H   ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {   52}
   (( segid "    " and resid 74   and name H   ))
   (( segid "    " and resid 76   and name HB3 ))
 OR {   52}
   (( segid "    " and resid 74   and name H   ))
   (( segid "    " and resid 70   and name HG2 ))
 OR {   52}
   (( segid "    " and resid 74   and name H   ))
   (( segid "    " and resid 70   and name HG3 ))
 OR {   52}
   (( segid "    " and resid 74   and name H   ))
   (( segid "    " and resid 84   and name HB2 ))
 OR {   52}
   (( segid "    " and resid 74   and name H   ))
   (( segid "    " and resid 84   and name HB3 ))
 OR {   52}
   (( segid "    " and resid 74   and name H   ))
   (( segid "    " and resid 84   and name HG  ))
 OR {   52}
   (( segid "    " and resid 74   and name H   ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {   52}
   (( segid "    " and resid 74   and name H   ))
   (( segid "    " and resid 85   and name HG3 ))
 OR {   52}
   (( segid "    " and resid 74   and name H   ))
   (( segid "    " and resid 61   and name HB3 ))
 OR {   52}
   (( segid "    " and resid 74   and name H   ))
   (( segid "    " and resid 50   and name HG2 ))
 OR {   52}
   (( segid "    " and resid 74   and name H   ))
   (( segid "    " and resid 47   and name HG  ))
 OR {   52}
   (( segid "    " and resid 74   and name H   ))
   (( segid "    " and resid 52   and name HB  ))
 OR {   52}
   (( segid "    " and resid 74   and name H   ))
   (( segid "    " and resid 13   and name HG  ))
 OR {   52}
   (( segid "    " and resid 74   and name H   ))
   (( segid "    " and resid 15   and name HG2 ))
 OR {   52}
   (( segid "    " and resid 74   and name H   ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {   52}
   (( segid "    " and resid 74   and name H   ))
   (( segid "    " and resid 3    and name HB3 ))
 OR {   52}
   (( segid "    " and resid 74   and name H   ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {   52}
   (( segid "    " and resid 74   and name H   ))
   (( segid "    " and resid 3    and name HB2 ))
 OR {   52}
   (( segid "    " and resid 74   and name H   ))
   (( segid "    " and resid 3    and name HG  ))
 OR {   52}
   (( segid "    " and resid 74   and name H   ))
   (( segid "    " and resid 2    and name HB3 ))
 OR {   52}
   (( segid "    " and resid 74   and name H   ))
   (( segid "    " and resid 27   and name HG12))
 OR {   52}
   (( segid "    " and resid 74   and name H   ))
   (( segid "    " and resid 2    and name HB2 ))
 OR {   52}
   (( segid "    " and resid 74   and name H   ))
   (( segid "    " and resid 2    and name HG  ))
 OR {   52}
   (( segid "    " and resid 74   and name H   ))
   (( segid "    " and resid 18   and name HB2 ))
 OR {   52}
   (( segid "    " and resid 74   and name H   ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {   52}
   (( segid "    " and resid 74   and name H   ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {   52}
   (( segid "    " and resid 74   and name H   ))
   (( segid "    " and resid 22   and name HB3 ))
 OR {   52}
   (( segid "    " and resid 74   and name H   ))
   (( segid "    " and resid 21   and name HD2 ))
 OR {   52}
   (( segid "    " and resid 74   and name H   ))
   (( segid "    " and resid 21   and name HD3 ))
 ASSI {   53}
   (( segid "    " and resid 74   and name H   ))
   (  segid "    " and resid 75   and name HG2%)
      5.100     3.300     0.900 peak    53 spectrum    1 weight  0.10000E+01 volume  0.22715E-03 ppm1      8.305 ppm2      1.127 CV     1
 OR {   53}
   (( segid "    " and resid 74   and name H   ))
   (  segid "    " and resid 42   and name HB% )
 OR {   53}
   (( segid "    " and resid 74   and name H   ))
   (  segid "    " and resid 11   and name HG2%)
 OR {   53}
   (( segid "    " and resid 74   and name H   ))
   (  segid "    " and resid 7    and name HG2%)
 OR {   53}
   (( segid "    " and resid 74   and name H   ))
   (  segid "    " and resid 34   and name HB% )
 OR {   53}
   (( segid "    " and resid 74   and name H   ))
   (( segid "    " and resid 13   and name HB2 ))
 OR {   53}
   (( segid "    " and resid 74   and name H   ))
   (( segid "    " and resid 31   and name HG  ))
 ASSI {   54}
   (( segid "    " and resid 73   and name H   ))
   (( segid "    " and resid 72   and name HG  ))
      4.800     2.800     1.200 peak    54 spectrum    1 weight  0.10000E+01 volume  0.71691E-03 ppm1      8.272 ppm2      1.382 CV     1
 OR {   54}
   (( segid "    " and resid 73   and name H   ))
   (( segid "    " and resid 72   and name HB2 ))
 OR {   54}
   (( segid "    " and resid 73   and name H   ))
   (( segid "    " and resid 71   and name HG3 ))
 OR {   54}
   (( segid "    " and resid 73   and name H   ))
   (( segid "    " and resid 78   and name HG2 ))
 OR {   54}
   (( segid "    " and resid 73   and name H   ))
   (( segid "    " and resid 78   and name HG3 ))
 OR {   54}
   (( segid "    " and resid 73   and name H   ))
   (( segid "    " and resid 79   and name HG  ))
 OR {   54}
   (( segid "    " and resid 73   and name H   ))
   (( segid "    " and resid 79   and name HB2 ))
 OR {   54}
   (( segid "    " and resid 73   and name H   ))
   (( segid "    " and resid 61   and name HB2 ))
 OR {   54}
   (( segid "    " and resid 73   and name H   ))
   (( segid "    " and resid 86   and name HG2 ))
 OR {   54}
   (( segid "    " and resid 73   and name H   ))
   (( segid "    " and resid 86   and name HG3 ))
 OR {   54}
   (( segid "    " and resid 73   and name H   ))
   (  segid "    " and resid 48   and name HB% )
 OR {   54}
   (( segid "    " and resid 73   and name H   ))
   (( segid "    " and resid 56   and name HG2 ))
 OR {   54}
   (( segid "    " and resid 73   and name H   ))
   (( segid "    " and resid 40   and name HB2 ))
 OR {   54}
   (( segid "    " and resid 73   and name H   ))
   (( segid "    " and resid 15   and name HB2 ))
 OR {   54}
   (( segid "    " and resid 73   and name H   ))
   (( segid "    " and resid 15   and name HG3 ))
 OR {   54}
   (( segid "    " and resid 73   and name H   ))
   (( segid "    " and resid 25   and name HG2 ))
 OR {   54}
   (( segid "    " and resid 73   and name H   ))
   (( segid "    " and resid 23   and name HB2 ))
 OR {   54}
   (( segid "    " and resid 73   and name H   ))
   (( segid "    " and resid 23   and name HG  ))
 OR {   54}
   (( segid "    " and resid 73   and name H   ))
   (( segid "    " and resid 22   and name HG  ))
 OR {   54}
   (( segid "    " and resid 73   and name H   ))
   (( segid "    " and resid 21   and name HG2 ))
 ASSI {   55}
   (( segid "    " and resid 73   and name H   ))
   (( segid "    " and resid 71   and name HB3 ))
      3.100     1.200     1.200 peak    55 spectrum    1 weight  0.10000E+01 volume  0.21294E-03 ppm1      8.266 ppm2      1.694 CV     1
 OR {   55}
   (( segid "    " and resid 73   and name H   ))
   (( segid "    " and resid 71   and name HB2 ))
 OR {   55}
   (( segid "    " and resid 73   and name H   ))
   (( segid "    " and resid 70   and name HB2 ))
 OR {   55}
   (( segid "    " and resid 73   and name H   ))
   (( segid "    " and resid 77   and name HB2 ))
 OR {   55}
   (( segid "    " and resid 73   and name H   ))
   (( segid "    " and resid 68   and name HG3 ))
 OR {   55}
   (( segid "    " and resid 73   and name H   ))
   (( segid "    " and resid 78   and name HB3 ))
 OR {   55}
   (( segid "    " and resid 73   and name H   ))
   (( segid "    " and resid 68   and name HB3 ))
 OR {   55}
   (( segid "    " and resid 73   and name H   ))
   (( segid "    " and resid 78   and name HB2 ))
 OR {   55}
   (( segid "    " and resid 73   and name H   ))
   (( segid "    " and resid 85   and name HB3 ))
 OR {   55}
   (( segid "    " and resid 73   and name H   ))
   (( segid "    " and resid 85   and name HB2 ))
 OR {   55}
   (( segid "    " and resid 73   and name H   ))
   (( segid "    " and resid 86   and name HB2 ))
 OR {   55}
   (( segid "    " and resid 73   and name H   ))
   (( segid "    " and resid 56   and name HG3 ))
 OR {   55}
   (( segid "    " and resid 73   and name H   ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {   55}
   (( segid "    " and resid 73   and name H   ))
   (( segid "    " and resid 45   and name HB3 ))
 OR {   55}
   (( segid "    " and resid 73   and name H   ))
   (( segid "    " and resid 33   and name HB3 ))
 OR {   55}
   (( segid "    " and resid 73   and name H   ))
   (( segid "    " and resid 17   and name HB3 ))
 OR {   55}
   (( segid "    " and resid 73   and name H   ))
   (( segid "    " and resid 18   and name HG  ))
 OR {   55}
   (( segid "    " and resid 73   and name H   ))
   (( segid "    " and resid 25   and name HD3 ))
 OR {   55}
   (( segid "    " and resid 73   and name H   ))
   (( segid "    " and resid 24   and name HG3 ))
 OR {   55}
   (( segid "    " and resid 73   and name H   ))
   (( segid "    " and resid 21   and name HB3 ))
 OR {   55}
   (( segid "    " and resid 73   and name H   ))
   (( segid "    " and resid 21   and name HB2 ))
 ASSI {   56}
   (( segid "    " and resid 73   and name H   ))
   (  segid "    " and resid 72   and name HD2%)
      3.200     1.300     1.300 peak    56 spectrum    1 weight  0.10000E+01 volume  0.39750E-03 ppm1      8.271 ppm2      0.747 CV     1
 OR {   56}
   (( segid "    " and resid 73   and name H   ))
   (  segid "    " and resid 72   and name HD1%)
 OR {   56}
   (( segid "    " and resid 73   and name H   ))
   (  segid "    " and resid 76   and name HD2%)
 OR {   56}
   (( segid "    " and resid 73   and name H   ))
   (  segid "    " and resid 76   and name HD1%)
 OR {   56}
   (( segid "    " and resid 73   and name H   ))
   (  segid "    " and resid 79   and name HD2%)
 OR {   56}
   (( segid "    " and resid 73   and name H   ))
   (  segid "    " and resid 84   and name HD2%)
 OR {   56}
   (( segid "    " and resid 73   and name H   ))
   (  segid "    " and resid 84   and name HD1%)
 OR {   56}
   (( segid "    " and resid 73   and name H   ))
   (  segid "    " and resid 47   and name HD2%)
 OR {   56}
   (( segid "    " and resid 73   and name H   ))
   (  segid "    " and resid 47   and name HD1%)
 OR {   56}
   (( segid "    " and resid 73   and name H   ))
   (  segid "    " and resid 54   and name HD1%)
 OR {   56}
   (( segid "    " and resid 73   and name H   ))
   (  segid "    " and resid 44   and name HG2%)
 OR {   56}
   (( segid "    " and resid 73   and name H   ))
   (  segid "    " and resid 40   and name HD2%)
 OR {   56}
   (( segid "    " and resid 73   and name H   ))
   (  segid "    " and resid 40   and name HD1%)
 OR {   56}
   (( segid "    " and resid 73   and name H   ))
   (  segid "    " and resid 29   and name HG1%)
 OR {   56}
   (( segid "    " and resid 73   and name H   ))
   (  segid "    " and resid 27   and name HD1%)
 OR {   56}
   (( segid "    " and resid 73   and name H   ))
   (  segid "    " and resid 2    and name HD1%)
 OR {   56}
   (( segid "    " and resid 73   and name H   ))
   (  segid "    " and resid 26   and name HG2%)
 OR {   56}
   (( segid "    " and resid 73   and name H   ))
   (  segid "    " and resid 18   and name HD2%)
 OR {   56}
   (( segid "    " and resid 73   and name H   ))
   (  segid "    " and resid 18   and name HD1%)
 OR {   56}
   (( segid "    " and resid 73   and name H   ))
   (  segid "    " and resid 22   and name HD1%)
 ASSI {   57}
   (( segid "    " and resid 72   and name H   ))
   (  segid "    " and resid 72   and name HD2%)
      4.200     2.200     1.800 peak    57 spectrum    1 weight  0.10000E+01 volume  0.10198E-02 ppm1      8.000 ppm2      0.756 CV     1
 OR {   57}
   (( segid "    " and resid 72   and name H   ))
   (  segid "    " and resid 72   and name HD1%)
 OR {   57}
   (( segid "    " and resid 72   and name H   ))
   (  segid "    " and resid 76   and name HD2%)
 OR {   57}
   (( segid "    " and resid 72   and name H   ))
   (  segid "    " and resid 76   and name HD1%)
 OR {   57}
   (( segid "    " and resid 72   and name H   ))
   (  segid "    " and resid 79   and name HD2%)
 OR {   57}
   (( segid "    " and resid 72   and name H   ))
   (  segid "    " and resid 84   and name HD2%)
 OR {   57}
   (( segid "    " and resid 72   and name H   ))
   (  segid "    " and resid 84   and name HD1%)
 OR {   57}
   (( segid "    " and resid 72   and name H   ))
   (  segid "    " and resid 47   and name HD2%)
 OR {   57}
   (( segid "    " and resid 72   and name H   ))
   (  segid "    " and resid 47   and name HD1%)
 OR {   57}
   (( segid "    " and resid 72   and name H   ))
   (  segid "    " and resid 54   and name HD1%)
 OR {   57}
   (( segid "    " and resid 72   and name H   ))
   (  segid "    " and resid 44   and name HG2%)
 OR {   57}
   (( segid "    " and resid 72   and name H   ))
   (  segid "    " and resid 40   and name HD2%)
 OR {   57}
   (( segid "    " and resid 72   and name H   ))
   (  segid "    " and resid 40   and name HD1%)
 OR {   57}
   (( segid "    " and resid 72   and name H   ))
   (( segid "    " and resid 52   and name HG13))
 OR {   57}
   (( segid "    " and resid 72   and name H   ))
   (  segid "    " and resid 29   and name HG1%)
 OR {   57}
   (( segid "    " and resid 72   and name H   ))
   (  segid "    " and resid 27   and name HD1%)
 OR {   57}
   (( segid "    " and resid 72   and name H   ))
   (  segid "    " and resid 2    and name HD1%)
 OR {   57}
   (( segid "    " and resid 72   and name H   ))
   (  segid "    " and resid 18   and name HD2%)
 OR {   57}
   (( segid "    " and resid 72   and name H   ))
   (  segid "    " and resid 18   and name HD1%)
 OR {   57}
   (( segid "    " and resid 72   and name H   ))
   (  segid "    " and resid 22   and name HD1%)
 ASSI {   58}
   (( segid "    " and resid 72   and name H   ))
   (( segid "    " and resid 73   and name HB2 ))
      4.300     2.300     1.700 peak    58 spectrum    1 weight  0.10000E+01 volume  0.34781E-03 ppm1      8.005 ppm2      3.121 CV     1
 OR {   58}
   (( segid "    " and resid 72   and name H   ))
   (( segid "    " and resid 70   and name HD3 ))
 OR {   58}
   (( segid "    " and resid 72   and name H   ))
   (( segid "    " and resid 70   and name HD2 ))
 OR {   58}
   (( segid "    " and resid 72   and name H   ))
   (( segid "    " and resid 67   and name HB2 ))
 OR {   58}
   (( segid "    " and resid 72   and name H   ))
   (( segid "    " and resid 67   and name HB3 ))
 OR {   58}
   (( segid "    " and resid 72   and name H   ))
   (( segid "    " and resid 65   and name HB2 ))
 OR {   58}
   (( segid "    " and resid 72   and name H   ))
   (( segid "    " and resid 64   and name HB2 ))
 OR {   58}
   (( segid "    " and resid 72   and name H   ))
   (( segid "    " and resid 81   and name HB2 ))
 OR {   58}
   (( segid "    " and resid 72   and name H   ))
   (( segid "    " and resid 85   and name HD3 ))
 OR {   58}
   (( segid "    " and resid 72   and name H   ))
   (( segid "    " and resid 85   and name HD2 ))
 OR {   58}
   (( segid "    " and resid 72   and name H   ))
   (( segid "    " and resid 58   and name HB3 ))
 OR {   58}
   (( segid "    " and resid 72   and name H   ))
   (( segid "    " and resid 46   and name HB2 ))
 OR {   58}
   (( segid "    " and resid 72   and name H   ))
   (( segid "    " and resid 50   and name HD3 ))
 OR {   58}
   (( segid "    " and resid 72   and name H   ))
   (( segid "    " and resid 38   and name HB3 ))
 OR {   58}
   (( segid "    " and resid 72   and name H   ))
   (( segid "    " and resid 39   and name HB2 ))
 OR {   58}
   (( segid "    " and resid 72   and name H   ))
   (( segid "    " and resid 14   and name HB2 ))
 OR {   58}
   (( segid "    " and resid 72   and name H   ))
   (( segid "    " and resid 14   and name HB3 ))
 OR {   58}
   (( segid "    " and resid 72   and name H   ))
   (( segid "    " and resid 1    and name HB3 ))
 OR {   58}
   (( segid "    " and resid 72   and name H   ))
   (( segid "    " and resid 1    and name HB2 ))
 OR {   58}
   (( segid "    " and resid 72   and name H   ))
   (( segid "    " and resid 24   and name HD3 ))
 OR {   58}
   (( segid "    " and resid 72   and name H   ))
   (( segid "    " and resid 24   and name HD2 ))
 ASSI {   59}
   (( segid "    " and resid 72   and name H   ))
   (( segid "    " and resid 72   and name HB2 ))
      2.800     1.000     1.000 peak    59 spectrum    1 weight  0.10000E+01 volume  0.23827E-02 ppm1      8.000 ppm2      1.405 CV     1
 OR {   59}
   (( segid "    " and resid 72   and name H   ))
   (( segid "    " and resid 72   and name HG  ))
 OR {   59}
   (( segid "    " and resid 72   and name H   ))
   (( segid "    " and resid 78   and name HG3 ))
 OR {   59}
   (( segid "    " and resid 72   and name H   ))
   (( segid "    " and resid 79   and name HG  ))
 OR {   59}
   (( segid "    " and resid 72   and name H   ))
   (( segid "    " and resid 79   and name HB2 ))
 OR {   59}
   (( segid "    " and resid 72   and name H   ))
   (( segid "    " and resid 61   and name HB2 ))
 OR {   59}
   (( segid "    " and resid 72   and name H   ))
   (( segid "    " and resid 86   and name HG2 ))
 OR {   59}
   (( segid "    " and resid 72   and name H   ))
   (( segid "    " and resid 86   and name HG3 ))
 OR {   59}
   (( segid "    " and resid 72   and name H   ))
   (  segid "    " and resid 48   and name HB% )
 OR {   59}
   (( segid "    " and resid 72   and name H   ))
   (( segid "    " and resid 56   and name HG2 ))
 OR {   59}
   (( segid "    " and resid 72   and name H   ))
   (( segid "    " and resid 40   and name HB2 ))
 OR {   59}
   (( segid "    " and resid 72   and name H   ))
   (( segid "    " and resid 15   and name HB2 ))
 OR {   59}
   (( segid "    " and resid 72   and name H   ))
   (( segid "    " and resid 15   and name HG3 ))
 OR {   59}
   (( segid "    " and resid 72   and name H   ))
   (( segid "    " and resid 2    and name HB3 ))
 OR {   59}
   (( segid "    " and resid 72   and name H   ))
   (( segid "    " and resid 2    and name HB2 ))
 OR {   59}
   (( segid "    " and resid 72   and name H   ))
   (( segid "    " and resid 2    and name HG  ))
 OR {   59}
   (( segid "    " and resid 72   and name H   ))
   (( segid "    " and resid 25   and name HG2 ))
 OR {   59}
   (( segid "    " and resid 72   and name H   ))
   (( segid "    " and resid 23   and name HB2 ))
 OR {   59}
   (( segid "    " and resid 72   and name H   ))
   (( segid "    " and resid 23   and name HG  ))
 OR {   59}
   (( segid "    " and resid 72   and name H   ))
   (( segid "    " and resid 22   and name HG  ))
 OR {   59}
   (( segid "    " and resid 72   and name H   ))
   (( segid "    " and resid 21   and name HG2 ))
 ASSI {   60}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 71   and name HB2 ))
      3.000     1.100     1.100 peak    60 spectrum    1 weight  0.10000E+01 volume  0.42873E-02 ppm1      7.984 ppm2      1.700 CV     1
 OR {   60}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 70   and name HB3 ))
 OR {   60}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 71   and name HB3 ))
 OR {   60}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 70   and name HB2 ))
 OR {   60}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 68   and name HG3 ))
 OR {   60}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 68   and name HB3 ))
 OR {   60}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 77   and name HB2 ))
 OR {   60}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 78   and name HB3 ))
 OR {   60}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 78   and name HB2 ))
 OR {   60}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 85   and name HB3 ))
 OR {   60}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 85   and name HB2 ))
 OR {   60}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 86   and name HB2 ))
 OR {   60}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 56   and name HG3 ))
 OR {   60}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {   60}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 33   and name HB3 ))
 OR {   60}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 17   and name HB3 ))
 OR {   60}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 18   and name HG  ))
 OR {   60}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 25   and name HD3 ))
 OR {   60}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 24   and name HG2 ))
 OR {   60}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 24   and name HG3 ))
 OR {   60}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 21   and name HB3 ))
 OR {   60}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 21   and name HB2 ))
 ASSI {   61}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 72   and name HB2 ))
      3.800     1.800     1.800 peak    61 spectrum    1 weight  0.10000E+01 volume  0.13013E-02 ppm1      7.984 ppm2      1.325 CV     1
 OR {   61}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 71   and name HG2 ))
 OR {   61}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 71   and name HG3 ))
 OR {   61}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 78   and name HG2 ))
 OR {   61}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 78   and name HG3 ))
 OR {   61}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 61   and name HB2 ))
 OR {   61}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 56   and name HG2 ))
 OR {   61}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 86   and name HG2 ))
 OR {   61}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 86   and name HG3 ))
 OR {   61}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 54   and name HG13))
 OR {   61}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 54   and name HG12))
 OR {   61}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 45   and name HB2 ))
 OR {   61}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 52   and name HG12))
 OR {   61}
   (( segid "    " and resid 71   and name H   ))
   (  segid "    " and resid 8    and name HB% )
 OR {   61}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 40   and name HG  ))
 OR {   61}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 25   and name HG2 ))
 OR {   61}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 18   and name HB3 ))
 OR {   61}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 23   and name HG  ))
 OR {   61}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 21   and name HG3 ))
 ASSI {   62}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 70   and name HG2 ))
      3.100     1.200     1.200 peak    62 spectrum    1 weight  0.10000E+01 volume  0.81392E-03 ppm1      7.983 ppm2      1.546 CV     1
 OR {   62}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 70   and name HG3 ))
 OR {   62}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {   62}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 72   and name HB3 ))
 OR {   62}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {   62}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 76   and name HB2 ))
 OR {   62}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 76   and name HB3 ))
 OR {   62}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 76   and name HG  ))
 OR {   62}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 78   and name HD2 ))
 OR {   62}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 78   and name HD3 ))
 OR {   62}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 61   and name HB3 ))
 OR {   62}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 84   and name HB2 ))
 OR {   62}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 84   and name HB3 ))
 OR {   62}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 84   and name HG  ))
 OR {   62}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {   62}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 85   and name HG3 ))
 OR {   62}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 86   and name HD3 ))
 OR {   62}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 86   and name HD2 ))
 OR {   62}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 47   and name HG  ))
 OR {   62}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 50   and name HG2 ))
 OR {   62}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 45   and name HG  ))
 OR {   62}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 52   and name HB  ))
 OR {   62}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 13   and name HG  ))
 OR {   62}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 15   and name HG2 ))
 OR {   62}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {   62}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 3    and name HB3 ))
 OR {   62}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {   62}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 3    and name HB2 ))
 OR {   62}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 3    and name HG  ))
 OR {   62}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 27   and name HG12))
 OR {   62}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 18   and name HB2 ))
 OR {   62}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {   62}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {   62}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {   62}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 22   and name HB3 ))
 OR {   62}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 21   and name HD2 ))
 OR {   62}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 21   and name HD3 ))
 ASSI {   63}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 69   and name HB2 ))
      3.200     1.300     1.300 peak    63 spectrum    1 weight  0.10000E+01 volume  0.18148E-02 ppm1      8.032 ppm2      1.952 CV     1
 OR {   63}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 69   and name HB3 ))
 OR {   63}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 66   and name HB3 ))
 OR {   63}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 66   and name HB2 ))
 OR {   63}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {   63}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 63   and name HB2 ))
 OR {   63}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 59   and name HB2 ))
 OR {   63}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 59   and name HG2 ))
 OR {   63}
   (( segid "    " and resid 70   and name H   ))
   (  segid "    " and resid 83   and name HE% )
 OR {   63}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 57   and name HB3 ))
 OR {   63}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 83   and name HB2 ))
 OR {   63}
   (( segid "    " and resid 70   and name H   ))
   (  segid "    " and resid 87   and name HE% )
 OR {   63}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 47   and name HB3 ))
 OR {   63}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 49   and name HB3 ))
 OR {   63}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 87   and name HB3 ))
 OR {   63}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 44   and name HB  ))
 OR {   63}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 12   and name HB2 ))
 OR {   63}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 12   and name HB3 ))
 OR {   63}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 13   and name HB3 ))
 OR {   63}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 33   and name HB2 ))
 OR {   63}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 32   and name HB2 ))
 OR {   63}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 5    and name HG2 ))
 OR {   63}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 5    and name HG3 ))
 OR {   63}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 30   and name HB2 ))
 OR {   63}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 4    and name HG3 ))
 OR {   63}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {   63}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 25   and name HB2 ))
 ASSI {   64}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 70   and name HG2 ))
      3.900     1.900     1.900 peak    64 spectrum    1 weight  0.10000E+01 volume  0.19142E-02 ppm1      8.033 ppm2      1.568 CV     1
 OR {   64}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 70   and name HG3 ))
 OR {   64}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {   64}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {   64}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 72   and name HB3 ))
 OR {   64}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 76   and name HB2 ))
 OR {   64}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 76   and name HG  ))
 OR {   64}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 78   and name HD2 ))
 OR {   64}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 78   and name HD3 ))
 OR {   64}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 61   and name HB3 ))
 OR {   64}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 84   and name HB2 ))
 OR {   64}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 84   and name HB3 ))
 OR {   64}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 84   and name HG  ))
 OR {   64}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {   64}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 85   and name HG3 ))
 OR {   64}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 47   and name HG  ))
 OR {   64}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 86   and name HD3 ))
 OR {   64}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 86   and name HD2 ))
 OR {   64}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 45   and name HG  ))
 OR {   64}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 45   and name HB3 ))
 OR {   64}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 52   and name HB  ))
 OR {   64}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 13   and name HG  ))
 OR {   64}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 31   and name HB2 ))
 OR {   64}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {   64}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {   64}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 3    and name HG  ))
 OR {   64}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {   64}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {   64}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {   64}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 22   and name HB3 ))
 OR {   64}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 21   and name HD2 ))
 OR {   64}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 21   and name HD3 ))
 ASSI {   65}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 69   and name HA  ))
      2.700     0.900     0.900 peak    65 spectrum    1 weight  0.10000E+01 volume  0.36296E-02 ppm1      8.032 ppm2      4.017 CV     1
 OR {   65}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 68   and name HA  ))
 OR {   65}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 66   and name HA  ))
 OR {   65}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 74   and name HA2 ))
 OR {   65}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 63   and name HA  ))
 OR {   65}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 61   and name HA  ))
 OR {   65}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 59   and name HD3 ))
 OR {   65}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 48   and name HA  ))
 OR {   65}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 36   and name HA3 ))
 OR {   65}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 22   and name HA  ))
 ASSI {   66}
   (( segid "    " and resid 70   and name H   ))
   (  segid "    " and resid 72   and name HD2%)
      5.300     3.500     0.700 peak    66 spectrum    1 weight  0.10000E+01 volume  0.19402E-03 ppm1      8.022 ppm2      0.751 CV     1
 OR {   66}
   (( segid "    " and resid 70   and name H   ))
   (  segid "    " and resid 72   and name HD1%)
 OR {   66}
   (( segid "    " and resid 70   and name H   ))
   (  segid "    " and resid 76   and name HD2%)
 OR {   66}
   (( segid "    " and resid 70   and name H   ))
   (  segid "    " and resid 76   and name HD1%)
 OR {   66}
   (( segid "    " and resid 70   and name H   ))
   (  segid "    " and resid 79   and name HD2%)
 OR {   66}
   (( segid "    " and resid 70   and name H   ))
   (  segid "    " and resid 84   and name HD2%)
 OR {   66}
   (( segid "    " and resid 70   and name H   ))
   (  segid "    " and resid 84   and name HD1%)
 OR {   66}
   (( segid "    " and resid 70   and name H   ))
   (  segid "    " and resid 47   and name HD2%)
 OR {   66}
   (( segid "    " and resid 70   and name H   ))
   (  segid "    " and resid 47   and name HD1%)
 OR {   66}
   (( segid "    " and resid 70   and name H   ))
   (  segid "    " and resid 54   and name HD1%)
 OR {   66}
   (( segid "    " and resid 70   and name H   ))
   (  segid "    " and resid 44   and name HG2%)
 OR {   66}
   (( segid "    " and resid 70   and name H   ))
   (  segid "    " and resid 40   and name HD2%)
 OR {   66}
   (( segid "    " and resid 70   and name H   ))
   (  segid "    " and resid 40   and name HD1%)
 OR {   66}
   (( segid "    " and resid 70   and name H   ))
   (  segid "    " and resid 29   and name HG1%)
 OR {   66}
   (( segid "    " and resid 70   and name H   ))
   (  segid "    " and resid 27   and name HD1%)
 OR {   66}
   (( segid "    " and resid 70   and name H   ))
   (  segid "    " and resid 2    and name HD1%)
 OR {   66}
   (( segid "    " and resid 70   and name H   ))
   (  segid "    " and resid 26   and name HG2%)
 OR {   66}
   (( segid "    " and resid 70   and name H   ))
   (  segid "    " and resid 18   and name HD2%)
 OR {   66}
   (( segid "    " and resid 70   and name H   ))
   (  segid "    " and resid 18   and name HD1%)
 OR {   66}
   (( segid "    " and resid 70   and name H   ))
   (  segid "    " and resid 22   and name HD1%)
 ASSI {   67}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 64   and name HA  ))
      3.100     1.200     1.200 peak    67 spectrum    1 weight  0.10000E+01 volume  0.21058E-03 ppm1      8.326 ppm2      4.276 CV     1
 OR {   67}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 75   and name HA  ))
 OR {   67}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 77   and name HA  ))
 OR {   67}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 79   and name HA  ))
 OR {   67}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 56   and name HA  ))
 OR {   67}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 55   and name HA  ))
 OR {   67}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 84   and name HA  ))
 OR {   67}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 85   and name HA  ))
 OR {   67}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 86   and name HA  ))
 OR {   67}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 11   and name HB  ))
 OR {   67}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 11   and name HA  ))
 OR {   67}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 8    and name HA  ))
 OR {   67}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 7    and name HA  ))
 OR {   67}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 37   and name HA  ))
 OR {   67}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 33   and name HA  ))
 OR {   67}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 15   and name HA  ))
 OR {   67}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 16   and name HA  ))
 OR {   67}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 27   and name HA  ))
 OR {   67}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 25   and name HA  ))
 ASSI {   68}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 68   and name HB2 ))
      2.900     1.000     1.000 peak    68 spectrum    1 weight  0.10000E+01 volume  0.34568E-02 ppm1      8.325 ppm2      1.922 CV     1
 OR {   68}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 69   and name HB3 ))
 OR {   68}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 69   and name HB2 ))
 OR {   68}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 68   and name HG2 ))
 OR {   68}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 66   and name HB3 ))
 OR {   68}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 66   and name HB2 ))
 OR {   68}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 63   and name HB2 ))
 OR {   68}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 77   and name HG2 ))
 OR {   68}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 77   and name HG3 ))
 OR {   68}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 59   and name HB2 ))
 OR {   68}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 59   and name HG2 ))
 OR {   68}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 57   and name HB3 ))
 OR {   68}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 83   and name HB2 ))
 OR {   68}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 47   and name HB3 ))
 OR {   68}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 49   and name HB3 ))
 OR {   68}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 50   and name HB3 ))
 OR {   68}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 44   and name HB  ))
 OR {   68}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 87   and name HB3 ))
 OR {   68}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 41   and name HG3 ))
 OR {   68}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 12   and name HB2 ))
 OR {   68}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 12   and name HB3 ))
 OR {   68}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 13   and name HB3 ))
 OR {   68}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 32   and name HB2 ))
 OR {   68}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 5    and name HG2 ))
 OR {   68}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 5    and name HG3 ))
 OR {   68}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 30   and name HB2 ))
 OR {   68}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 4    and name HG3 ))
 OR {   68}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 17   and name HG2 ))
 OR {   68}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 25   and name HB2 ))
 OR {   68}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 24   and name HB2 ))
 ASSI {   69}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 68   and name HG3 ))
      3.900     1.900     1.900 peak    69 spectrum    1 weight  0.10000E+01 volume  0.11073E-02 ppm1      8.325 ppm2      1.681 CV     1
 OR {   69}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 68   and name HB3 ))
 OR {   69}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 70   and name HB2 ))
 OR {   69}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 71   and name HB2 ))
 OR {   69}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 71   and name HB3 ))
 OR {   69}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 78   and name HB3 ))
 OR {   69}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 78   and name HB2 ))
 OR {   69}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 56   and name HG3 ))
 OR {   69}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {   69}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 85   and name HB2 ))
 OR {   69}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 86   and name HB2 ))
 OR {   69}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 45   and name HB3 ))
 OR {   69}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 86   and name HD3 ))
 OR {   69}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 86   and name HD2 ))
 OR {   69}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 33   and name HB3 ))
 OR {   69}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 31   and name HB2 ))
 OR {   69}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 25   and name HD3 ))
 OR {   69}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 24   and name HG3 ))
 OR {   69}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 21   and name HB3 ))
 OR {   69}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 21   and name HB2 ))
 ASSI {   70}
   (( segid "    " and resid 69   and name H   ))
   (  segid "    " and resid 72   and name HD2%)
      4.900     3.000     1.100 peak    70 spectrum    1 weight  0.10000E+01 volume  0.23424E-03 ppm1      8.323 ppm2      0.787 CV     1
 OR {   70}
   (( segid "    " and resid 69   and name H   ))
   (  segid "    " and resid 72   and name HD1%)
 OR {   70}
   (( segid "    " and resid 69   and name H   ))
   (  segid "    " and resid 76   and name HD2%)
 OR {   70}
   (( segid "    " and resid 69   and name H   ))
   (  segid "    " and resid 76   and name HD1%)
 OR {   70}
   (( segid "    " and resid 69   and name H   ))
   (  segid "    " and resid 79   and name HD2%)
 OR {   70}
   (( segid "    " and resid 69   and name H   ))
   (  segid "    " and resid 84   and name HD2%)
 OR {   70}
   (( segid "    " and resid 69   and name H   ))
   (  segid "    " and resid 54   and name HD1%)
 OR {   70}
   (( segid "    " and resid 69   and name H   ))
   (  segid "    " and resid 84   and name HD1%)
 OR {   70}
   (( segid "    " and resid 69   and name H   ))
   (  segid "    " and resid 44   and name HG2%)
 OR {   70}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 52   and name HG13))
 OR {   70}
   (( segid "    " and resid 69   and name H   ))
   (  segid "    " and resid 40   and name HD2%)
 OR {   70}
   (( segid "    " and resid 69   and name H   ))
   (  segid "    " and resid 40   and name HD1%)
 OR {   70}
   (( segid "    " and resid 69   and name H   ))
   (  segid "    " and resid 29   and name HG1%)
 OR {   70}
   (( segid "    " and resid 69   and name H   ))
   (  segid "    " and resid 3    and name HD2%)
 OR {   70}
   (( segid "    " and resid 69   and name H   ))
   (  segid "    " and resid 27   and name HD1%)
 OR {   70}
   (( segid "    " and resid 69   and name H   ))
   (  segid "    " and resid 26   and name HG1%)
 OR {   70}
   (( segid "    " and resid 69   and name H   ))
   (  segid "    " and resid 3    and name HD1%)
 OR {   70}
   (( segid "    " and resid 69   and name H   ))
   (  segid "    " and resid 2    and name HD1%)
 OR {   70}
   (( segid "    " and resid 69   and name H   ))
   (  segid "    " and resid 2    and name HD2%)
 OR {   70}
   (( segid "    " and resid 69   and name H   ))
   (  segid "    " and resid 18   and name HD2%)
 OR {   70}
   (( segid "    " and resid 69   and name H   ))
   (  segid "    " and resid 22   and name HD1%)
 OR {   70}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 23   and name HB3 ))
 ASSI {   71}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 70   and name HG3 ))
      5.100     3.300     0.900 peak    71 spectrum    1 weight  0.10000E+01 volume  0.20348E-03 ppm1      8.318 ppm2      1.527 CV     1
 OR {   71}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 70   and name HG2 ))
 OR {   71}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {   71}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {   71}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 72   and name HB3 ))
 OR {   71}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 76   and name HB2 ))
 OR {   71}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 76   and name HB3 ))
 OR {   71}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 76   and name HG  ))
 OR {   71}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 61   and name HB3 ))
 OR {   71}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 84   and name HB2 ))
 OR {   71}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 47   and name HG  ))
 OR {   71}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 84   and name HB3 ))
 OR {   71}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 50   and name HG2 ))
 OR {   71}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 84   and name HG  ))
 OR {   71}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {   71}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 85   and name HG3 ))
 OR {   71}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 45   and name HG  ))
 OR {   71}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 52   and name HB  ))
 OR {   71}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 13   and name HG  ))
 OR {   71}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 15   and name HG2 ))
 OR {   71}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {   71}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 3    and name HB3 ))
 OR {   71}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {   71}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 3    and name HB2 ))
 OR {   71}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 3    and name HG  ))
 OR {   71}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 2    and name HB3 ))
 OR {   71}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 27   and name HG12))
 OR {   71}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 2    and name HB2 ))
 OR {   71}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 2    and name HG  ))
 OR {   71}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 18   and name HB2 ))
 OR {   71}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {   71}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {   71}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {   71}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 22   and name HB3 ))
 OR {   71}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 21   and name HD2 ))
 OR {   71}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 21   and name HD3 ))
 ASSI {   72}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 69   and name HB3 ))
      3.800     1.800     1.800 peak    72 spectrum    1 weight  0.10000E+01 volume  0.56786E-03 ppm1      7.917 ppm2      1.985 CV     1
 OR {   72}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 69   and name HB2 ))
 OR {   72}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 66   and name HB3 ))
 OR {   72}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 66   and name HB2 ))
 OR {   72}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {   72}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 63   and name HB2 ))
 OR {   72}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 59   and name HB2 ))
 OR {   72}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 59   and name HG2 ))
 OR {   72}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 57   and name HB3 ))
 OR {   72}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 49   and name HB3 ))
 OR {   72}
   (( segid "    " and resid 68   and name H   ))
   (  segid "    " and resid 83   and name HE% )
 OR {   72}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 83   and name HB3 ))
 OR {   72}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 83   and name HB2 ))
 OR {   72}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 44   and name HB  ))
 OR {   72}
   (( segid "    " and resid 68   and name H   ))
   (  segid "    " and resid 87   and name HE% )
 OR {   72}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 87   and name HB3 ))
 OR {   72}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 12   and name HB3 ))
 OR {   72}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 13   and name HB3 ))
 OR {   72}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 33   and name HB2 ))
 OR {   72}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 5    and name HG2 ))
 OR {   72}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 5    and name HG3 ))
 OR {   72}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 30   and name HB2 ))
 OR {   72}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 4    and name HG3 ))
 OR {   72}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {   72}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 28   and name HB2 ))
 OR {   72}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 17   and name HG3 ))
 OR {   72}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 25   and name HB3 ))
 OR {   72}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 25   and name HB2 ))
 ASSI {   73}
   (( segid "    " and resid 67   and name H   ))
   (( segid "    " and resid 66   and name HB3 ))
      4.400     2.500     1.600 peak    73 spectrum    1 weight  0.10000E+01 volume  0.97956E-03 ppm1      7.924 ppm2      1.941 CV     1
 OR {   73}
   (( segid "    " and resid 67   and name H   ))
   (( segid "    " and resid 66   and name HB2 ))
 OR {   73}
   (( segid "    " and resid 67   and name H   ))
   (( segid "    " and resid 68   and name HG2 ))
 OR {   73}
   (( segid "    " and resid 67   and name H   ))
   (( segid "    " and resid 69   and name HB3 ))
 OR {   73}
   (( segid "    " and resid 67   and name H   ))
   (( segid "    " and resid 69   and name HB2 ))
 OR {   73}
   (( segid "    " and resid 67   and name H   ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {   73}
   (( segid "    " and resid 67   and name H   ))
   (( segid "    " and resid 63   and name HB2 ))
 OR {   73}
   (( segid "    " and resid 67   and name H   ))
   (( segid "    " and resid 59   and name HB2 ))
 OR {   73}
   (( segid "    " and resid 67   and name H   ))
   (( segid "    " and resid 59   and name HG2 ))
 OR {   73}
   (( segid "    " and resid 67   and name H   ))
   (( segid "    " and resid 57   and name HB3 ))
 OR {   73}
   (( segid "    " and resid 67   and name H   ))
   (( segid "    " and resid 47   and name HB3 ))
 OR {   73}
   (( segid "    " and resid 67   and name H   ))
   (( segid "    " and resid 49   and name HB3 ))
 OR {   73}
   (( segid "    " and resid 67   and name H   ))
   (( segid "    " and resid 50   and name HB3 ))
 OR {   73}
   (( segid "    " and resid 67   and name H   ))
   (  segid "    " and resid 83   and name HE% )
 OR {   73}
   (( segid "    " and resid 67   and name H   ))
   (( segid "    " and resid 44   and name HB  ))
 OR {   73}
   (( segid "    " and resid 67   and name H   ))
   (( segid "    " and resid 83   and name HB2 ))
 OR {   73}
   (( segid "    " and resid 67   and name H   ))
   (( segid "    " and resid 12   and name HB2 ))
 OR {   73}
   (( segid "    " and resid 67   and name H   ))
   (( segid "    " and resid 12   and name HB3 ))
 OR {   73}
   (( segid "    " and resid 67   and name H   ))
   (  segid "    " and resid 87   and name HE% )
 OR {   73}
   (( segid "    " and resid 67   and name H   ))
   (( segid "    " and resid 13   and name HB3 ))
 OR {   73}
   (( segid "    " and resid 67   and name H   ))
   (( segid "    " and resid 87   and name HB3 ))
 OR {   73}
   (( segid "    " and resid 67   and name H   ))
   (( segid "    " and resid 32   and name HB2 ))
 OR {   73}
   (( segid "    " and resid 67   and name H   ))
   (( segid "    " and resid 5    and name HG2 ))
 OR {   73}
   (( segid "    " and resid 67   and name H   ))
   (( segid "    " and resid 5    and name HG3 ))
 OR {   73}
   (( segid "    " and resid 67   and name H   ))
   (( segid "    " and resid 30   and name HB2 ))
 OR {   73}
   (( segid "    " and resid 67   and name H   ))
   (( segid "    " and resid 4    and name HG3 ))
 OR {   73}
   (( segid "    " and resid 67   and name H   ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {   73}
   (( segid "    " and resid 67   and name H   ))
   (( segid "    " and resid 25   and name HB2 ))
 OR {   73}
   (( segid "    " and resid 67   and name H   ))
   (( segid "    " and resid 24   and name HB2 ))
 ASSI {   74}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 66   and name HB3 ))
      2.700     0.900     0.900 peak    74 spectrum    1 weight  0.10000E+01 volume  0.53401E-02 ppm1      8.019 ppm2      1.962 CV     1
 OR {   74}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 66   and name HB2 ))
 OR {   74}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {   74}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 63   and name HB2 ))
 OR {   74}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 69   and name HB3 ))
 OR {   74}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 69   and name HB2 ))
 OR {   74}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 59   and name HB2 ))
 OR {   74}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 59   and name HG2 ))
 OR {   74}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 57   and name HB3 ))
 OR {   74}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 47   and name HB3 ))
 OR {   74}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 49   and name HB3 ))
 OR {   74}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 44   and name HB  ))
 OR {   74}
   (( segid "    " and resid 66   and name H   ))
   (  segid "    " and resid 83   and name HE% )
 OR {   74}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 12   and name HB2 ))
 OR {   74}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 12   and name HB3 ))
 OR {   74}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 83   and name HB3 ))
 OR {   74}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 83   and name HB2 ))
 OR {   74}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 13   and name HB3 ))
 OR {   74}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 33   and name HB2 ))
 OR {   74}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 32   and name HB2 ))
 OR {   74}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 5    and name HG2 ))
 OR {   74}
   (( segid "    " and resid 66   and name H   ))
   (  segid "    " and resid 87   and name HE% )
 OR {   74}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 5    and name HG3 ))
 OR {   74}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 30   and name HB2 ))
 OR {   74}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 87   and name HB3 ))
 OR {   74}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 4    and name HG3 ))
 OR {   74}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {   74}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 25   and name HB2 ))
 ASSI {   75}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 68   and name HB3 ))
      4.700     2.800     1.300 peak    75 spectrum    1 weight  0.10000E+01 volume  0.24844E-03 ppm1      8.025 ppm2      1.723 CV     1
 OR {   75}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 68   and name HG3 ))
 OR {   75}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 70   and name HB2 ))
 OR {   75}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 70   and name HB3 ))
 OR {   75}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 71   and name HB2 ))
 OR {   75}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 71   and name HB3 ))
 OR {   75}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 56   and name HG3 ))
 OR {   75}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 77   and name HB2 ))
 OR {   75}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 78   and name HB3 ))
 OR {   75}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {   75}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 78   and name HB2 ))
 OR {   75}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 33   and name HB3 ))
 OR {   75}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 85   and name HB3 ))
 OR {   75}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 85   and name HB2 ))
 OR {   75}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 32   and name HB3 ))
 OR {   75}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 86   and name HB2 ))
 OR {   75}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 29   and name HB  ))
 OR {   75}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 86   and name HB3 ))
 OR {   75}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 16   and name HB2 ))
 OR {   75}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 17   and name HB3 ))
 OR {   75}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 18   and name HG  ))
 OR {   75}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 25   and name HD3 ))
 OR {   75}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 24   and name HB3 ))
 OR {   75}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 24   and name HG2 ))
 OR {   75}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 24   and name HG3 ))
 OR {   75}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 21   and name HB3 ))
 OR {   75}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 21   and name HB2 ))
 ASSI {   76}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 70   and name HG3 ))
      3.100     1.200     1.200 peak    76 spectrum    1 weight  0.10000E+01 volume  0.19876E-03 ppm1      8.021 ppm2      1.589 CV     1
 OR {   76}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 61   and name HB3 ))
 OR {   76}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 70   and name HG2 ))
 OR {   76}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {   76}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {   76}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 76   and name HB2 ))
 OR {   76}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 76   and name HG  ))
 OR {   76}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 47   and name HG  ))
 OR {   76}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 78   and name HD2 ))
 OR {   76}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 78   and name HD3 ))
 OR {   76}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 45   and name HG  ))
 OR {   76}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 45   and name HB3 ))
 OR {   76}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 33   and name HB3 ))
 OR {   76}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 84   and name HB3 ))
 OR {   76}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 84   and name HG  ))
 OR {   76}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 13   and name HG  ))
 OR {   76}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {   76}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 31   and name HB2 ))
 OR {   76}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 85   and name HG3 ))
 OR {   76}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 86   and name HD3 ))
 OR {   76}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 86   and name HD2 ))
 OR {   76}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {   76}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {   76}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 3    and name HG  ))
 OR {   76}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {   76}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {   76}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {   76}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 22   and name HB3 ))
 OR {   76}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 21   and name HD2 ))
 OR {   76}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 21   and name HD3 ))
 ASSI {   77}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 67   and name HA  ))
      4.800     2.800     1.200 peak    77 spectrum    1 weight  0.10000E+01 volume  0.27920E-03 ppm1      8.018 ppm2      4.461 CV     1
 OR {   77}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 59   and name HA  ))
 OR {   77}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 57   and name HA  ))
 OR {   77}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 49   and name HA  ))
 OR {   77}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 52   and name HA  ))
 OR {   77}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 44   and name HA  ))
 OR {   77}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 81   and name HA  ))
 OR {   77}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 9    and name HA  ))
 OR {   77}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 40   and name HA  ))
 OR {   77}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 12   and name HA  ))
 OR {   77}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 14   and name HA  ))
 OR {   77}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 32   and name HA  ))
 OR {   77}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 31   and name HA  ))
 OR {   77}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 87   and name HA  ))
 OR {   77}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 17   and name HA  ))
 OR {   77}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI {   78}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 64   and name HB2 ))
      3.300     1.300     1.300 peak    78 spectrum    1 weight  0.10000E+01 volume  0.15332E-02 ppm1      8.141 ppm2      3.131 CV     1
 OR {   78}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 65   and name HB2 ))
 OR {   78}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 67   and name HB3 ))
 OR {   78}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 67   and name HB2 ))
 OR {   78}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 70   and name HD2 ))
 OR {   78}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 70   and name HD3 ))
 OR {   78}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 73   and name HB2 ))
 OR {   78}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 46   and name HB2 ))
 OR {   78}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 50   and name HD3 ))
 OR {   78}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 38   and name HB3 ))
 OR {   78}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 81   and name HB2 ))
 OR {   78}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 39   and name HB2 ))
 OR {   78}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 14   and name HB2 ))
 OR {   78}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 14   and name HB3 ))
 OR {   78}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 85   and name HD3 ))
 OR {   78}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 85   and name HD2 ))
 OR {   78}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 1    and name HB3 ))
 OR {   78}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 24   and name HD3 ))
 OR {   78}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 24   and name HD2 ))
 ASSI {   79}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 65   and name HB3 ))
      3.400     1.500     1.500 peak    79 spectrum    1 weight  0.10000E+01 volume  0.16586E-02 ppm1      8.140 ppm2      3.009 CV     1
 OR {   79}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 64   and name HB3 ))
 OR {   79}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 70   and name HD2 ))
 OR {   79}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 70   and name HD3 ))
 OR {   79}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 58   and name HB3 ))
 OR {   79}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 50   and name HD2 ))
 OR {   79}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 46   and name HB3 ))
 OR {   79}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 50   and name HD3 ))
 OR {   79}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 1    and name HB2 ))
 ASSI {   80}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 66   and name HB2 ))
      4.300     2.300     1.700 peak    80 spectrum    1 weight  0.10000E+01 volume  0.31231E-03 ppm1      8.140 ppm2      1.964 CV     1
 OR {   80}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 66   and name HB3 ))
 OR {   80}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {   80}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 63   and name HB2 ))
 OR {   80}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 69   and name HB3 ))
 OR {   80}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 69   and name HB2 ))
 OR {   80}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 59   and name HB2 ))
 OR {   80}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 59   and name HG2 ))
 OR {   80}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 57   and name HB3 ))
 OR {   80}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 47   and name HB3 ))
 OR {   80}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 49   and name HB3 ))
 OR {   80}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 44   and name HB  ))
 OR {   80}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 12   and name HB2 ))
 OR {   80}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 12   and name HB3 ))
 OR {   80}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 13   and name HB3 ))
 OR {   80}
   (( segid "    " and resid 65   and name H   ))
   (  segid "    " and resid 83   and name HE% )
 OR {   80}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 33   and name HB2 ))
 OR {   80}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 83   and name HB3 ))
 OR {   80}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 32   and name HB2 ))
 OR {   80}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 83   and name HB2 ))
 OR {   80}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 5    and name HG2 ))
 OR {   80}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 5    and name HG3 ))
 OR {   80}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 30   and name HB2 ))
 OR {   80}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 4    and name HG3 ))
 OR {   80}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {   80}
   (( segid "    " and resid 65   and name H   ))
   (  segid "    " and resid 87   and name HE% )
 OR {   80}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 87   and name HB3 ))
 OR {   80}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 25   and name HB2 ))
 ASSI {   81}
   (( segid "    " and resid 65   and name H   ))
   (  segid "    " and resid 61   and name HD1%)
      3.000     1.200     1.200 peak    81 spectrum    1 weight  0.10000E+01 volume  0.21294E-03 ppm1      8.144 ppm2      0.472 CV     1
 OR {   81}
   (( segid "    " and resid 65   and name H   ))
   (  segid "    " and resid 52   and name HD1%)
 OR {   81}
   (( segid "    " and resid 65   and name H   ))
   (  segid "    " and resid 29   and name HG2%)
 OR {   81}
   (( segid "    " and resid 65   and name H   ))
   (  segid "    " and resid 23   and name HD1%)
 ASSI {   82}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 64   and name HE3 ))
      4.000     2.000     2.000 peak    82 spectrum    1 weight  0.10000E+01 volume  0.36438E-03 ppm1      8.144 ppm2      7.004 CV     1
 OR {   82}
   (( segid "    " and resid 65   and name H   ))
   (  segid "    " and resid 65   and name HE% )
 OR {   82}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 43   and name HZ  ))
 OR {   82}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 41   and name HE22))
 OR {   82}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 40   and name H   ))
 OR {   82}
   (( segid "    " and resid 65   and name H   ))
   (  segid "    " and resid 14   and name HD% )
 OR {   82}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 15   and name HE  ))
 ASSI {   83}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 67   and name HD2 ))
      5.000     3.100     1.000 peak    83 spectrum    1 weight  0.10000E+01 volume  0.21294E-03 ppm1      7.917 ppm2      7.144 CV     1
 OR {   83}
   (( segid "    " and resid 68   and name H   ))
   (  segid "    " and resid 65   and name HD% )
 OR {   83}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 70   and name HE  ))
 OR {   83}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 73   and name HD2 ))
 OR {   83}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 58   and name HD22))
 OR {   83}
   (( segid "    " and resid 68   and name H   ))
   (  segid "    " and resid 81   and name HD% )
 OR {   83}
   (( segid "    " and resid 68   and name H   ))
   (  segid "    " and resid 81   and name HE% )
 OR {   83}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 55   and name HD2 ))
 OR {   83}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 50   and name HE  ))
 OR {   83}
   (( segid "    " and resid 68   and name H   ))
   (  segid "    " and resid 43   and name HE% )
 OR {   83}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 85   and name HE  ))
 OR {   83}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 39   and name HD2 ))
 OR {   83}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 32   and name HE22))
 OR {   83}
   (( segid "    " and resid 68   and name H   ))
   (  segid "    " and resid 1    and name HD% )
 OR {   83}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 26   and name H   ))
 ASSI {   84}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 63   and name HE22))
      5.200     3.300     0.800 peak    84 spectrum    1 weight  0.10000E+01 volume  0.24844E-03 ppm1      7.724 ppm2      6.838 CV     1
 OR {   84}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 64   and name HD1 ))
 OR {   84}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 64   and name HH2 ))
 OR {   84}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 65   and name HZ  ))
 OR {   84}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 68   and name HE22))
 OR {   84}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 57   and name HE22))
 OR {   84}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 49   and name HE22))
 OR {   84}
   (( segid "    " and resid 64   and name H   ))
   (  segid "    " and resid 43   and name HD% )
 OR {   84}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 12   and name HE21))
 OR {   84}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 80   and name HD22))
 ASSI {   85}
   (( segid "    " and resid 64   and name H   ))
   (  segid "    " and resid 65   and name HD% )
      5.100     3.300     0.900 peak    85 spectrum    1 weight  0.10000E+01 volume  0.24370E-03 ppm1      7.726 ppm2      7.166 CV     1
 OR {   85}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 64   and name HZ2 ))
 OR {   85}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 58   and name HD22))
 OR {   85}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 70   and name HE  ))
 OR {   85}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 73   and name HD2 ))
 OR {   85}
   (( segid "    " and resid 64   and name H   ))
   (  segid "    " and resid 43   and name HE% )
 OR {   85}
   (( segid "    " and resid 64   and name H   ))
   (  segid "    " and resid 81   and name HD% )
 OR {   85}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 39   and name HD2 ))
 OR {   85}
   (( segid "    " and resid 64   and name H   ))
   (  segid "    " and resid 81   and name HE% )
 OR {   85}
   (( segid "    " and resid 64   and name H   ))
   (  segid "    " and resid 1    and name HD% )
 OR {   85}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 26   and name H   ))
 OR {   85}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 85   and name HE  ))
 OR {   85}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 22   and name H   ))
 ASSI {   86}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 64   and name HE3 ))
      5.200     3.400     0.800 peak    86 spectrum    1 weight  0.10000E+01 volume  0.29102E-03 ppm1      7.719 ppm2      6.981 CV     1
 OR {   86}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 41   and name HE22))
 OR {   86}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 40   and name H   ))
 OR {   86}
   (( segid "    " and resid 64   and name H   ))
   (  segid "    " and resid 14   and name HD% )
 OR {   86}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 15   and name HE  ))
 ASSI {   87}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 63   and name HB3 ))
      4.200     2.200     1.800 peak    87 spectrum    1 weight  0.10000E+01 volume  0.89200E-03 ppm1      7.727 ppm2      1.976 CV     1
 OR {   87}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 63   and name HB2 ))
 OR {   87}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 66   and name HB2 ))
 OR {   87}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 66   and name HB3 ))
 OR {   87}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 59   and name HB2 ))
 OR {   87}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 59   and name HG2 ))
 OR {   87}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 69   and name HB3 ))
 OR {   87}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 69   and name HB2 ))
 OR {   87}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 57   and name HB3 ))
 OR {   87}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 49   and name HB3 ))
 OR {   87}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 44   and name HB  ))
 OR {   87}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 12   and name HB2 ))
 OR {   87}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 12   and name HB3 ))
 OR {   87}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 13   and name HB3 ))
 OR {   87}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 33   and name HB2 ))
 OR {   87}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 5    and name HG2 ))
 OR {   87}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 5    and name HG3 ))
 OR {   87}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 30   and name HB2 ))
 OR {   87}
   (( segid "    " and resid 64   and name H   ))
   (  segid "    " and resid 83   and name HE% )
 OR {   87}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 4    and name HG3 ))
 OR {   87}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {   87}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 83   and name HB3 ))
 OR {   87}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 28   and name HB2 ))
 OR {   87}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 83   and name HB2 ))
 OR {   87}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 25   and name HB2 ))
 OR {   87}
   (( segid "    " and resid 64   and name H   ))
   (  segid "    " and resid 87   and name HE% )
 OR {   87}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 87   and name HB3 ))
 ASSI {   88}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 61   and name HB3 ))
      3.100     1.200     1.200 peak    88 spectrum    1 weight  0.10000E+01 volume  0.17983E-03 ppm1      7.720 ppm2      1.532 CV     1
 OR {   88}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 70   and name HG3 ))
 OR {   88}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 70   and name HG2 ))
 OR {   88}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {   88}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {   88}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 72   and name HB3 ))
 OR {   88}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 47   and name HG  ))
 OR {   88}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 50   and name HG2 ))
 OR {   88}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 45   and name HG  ))
 OR {   88}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 52   and name HB  ))
 OR {   88}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 76   and name HB2 ))
 OR {   88}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 76   and name HB3 ))
 OR {   88}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 76   and name HG  ))
 OR {   88}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 13   and name HG  ))
 OR {   88}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 15   and name HG2 ))
 OR {   88}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 3    and name HB3 ))
 OR {   88}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {   88}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {   88}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 3    and name HB2 ))
 OR {   88}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 3    and name HG  ))
 OR {   88}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 2    and name HB3 ))
 OR {   88}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 84   and name HB2 ))
 OR {   88}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 27   and name HG12))
 OR {   88}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 2    and name HB2 ))
 OR {   88}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 84   and name HB3 ))
 OR {   88}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 2    and name HG  ))
 OR {   88}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 84   and name HG  ))
 OR {   88}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 18   and name HB2 ))
 OR {   88}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {   88}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {   88}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {   88}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 85   and name HG3 ))
 OR {   88}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {   88}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 22   and name HB3 ))
 OR {   88}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 21   and name HD2 ))
 OR {   88}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 21   and name HD3 ))
 ASSI {   89}
   (( segid "    " and resid 64   and name H   ))
   (  segid "    " and resid 61   and name HD1%)
      2.800     1.000     1.000 peak    89 spectrum    1 weight  0.10000E+01 volume  0.38093E-03 ppm1      7.729 ppm2      0.481 CV     1
 OR {   89}
   (( segid "    " and resid 64   and name H   ))
   (  segid "    " and resid 52   and name HD1%)
 OR {   89}
   (( segid "    " and resid 64   and name H   ))
   (  segid "    " and resid 29   and name HG2%)
 OR {   89}
   (( segid "    " and resid 64   and name H   ))
   (  segid "    " and resid 23   and name HD1%)
 ASSI {   90}
   (( segid "    " and resid 63   and name H   ))
   (( segid "    " and resid 63   and name HA  ))
      3.000     1.100     1.100 peak    90 spectrum    1 weight  0.10000E+01 volume  0.20868E-02 ppm1      7.858 ppm2      4.084 CV     1
 OR {   90}
   (( segid "    " and resid 63   and name H   ))
   (( segid "    " and resid 62   and name HA  ))
 OR {   90}
   (( segid "    " and resid 63   and name H   ))
   (( segid "    " and resid 65   and name HA  ))
 OR {   90}
   (( segid "    " and resid 63   and name H   ))
   (( segid "    " and resid 66   and name HA  ))
 OR {   90}
   (( segid "    " and resid 63   and name H   ))
   (( segid "    " and resid 59   and name HD3 ))
 OR {   90}
   (( segid "    " and resid 63   and name H   ))
   (( segid "    " and resid 69   and name HA  ))
 OR {   90}
   (( segid "    " and resid 63   and name H   ))
   (( segid "    " and resid 70   and name HA  ))
 OR {   90}
   (( segid "    " and resid 63   and name H   ))
   (( segid "    " and resid 71   and name HA  ))
 OR {   90}
   (( segid "    " and resid 63   and name H   ))
   (( segid "    " and resid 75   and name HB  ))
 OR {   90}
   (( segid "    " and resid 63   and name H   ))
   (( segid "    " and resid 7    and name HB  ))
 OR {   90}
   (( segid "    " and resid 63   and name H   ))
   (( segid "    " and resid 36   and name HA3 ))
 OR {   90}
   (( segid "    " and resid 63   and name H   ))
   (( segid "    " and resid 1    and name HA  ))
 OR {   90}
   (( segid "    " and resid 63   and name H   ))
   (( segid "    " and resid 19   and name HB2 ))
 OR {   90}
   (( segid "    " and resid 63   and name H   ))
   (( segid "    " and resid 24   and name HA  ))
 ASSI {   91}
   (( segid "    " and resid 63   and name H   ))
   (( segid "    " and resid 63   and name HB3 ))
      3.000     1.100     1.100 peak    91 spectrum    1 weight  0.10000E+01 volume  0.20561E-02 ppm1      7.860 ppm2      1.994 CV     1
 OR {   91}
   (( segid "    " and resid 63   and name H   ))
   (( segid "    " and resid 63   and name HB2 ))
 OR {   91}
   (( segid "    " and resid 63   and name H   ))
   (( segid "    " and resid 66   and name HB2 ))
 OR {   91}
   (( segid "    " and resid 63   and name H   ))
   (( segid "    " and resid 66   and name HB3 ))
 OR {   91}
   (( segid "    " and resid 63   and name H   ))
   (( segid "    " and resid 59   and name HB2 ))
 OR {   91}
   (( segid "    " and resid 63   and name H   ))
   (( segid "    " and resid 59   and name HG2 ))
 OR {   91}
   (( segid "    " and resid 63   and name H   ))
   (( segid "    " and resid 57   and name HB3 ))
 OR {   91}
   (( segid "    " and resid 63   and name H   ))
   (( segid "    " and resid 69   and name HB3 ))
 OR {   91}
   (( segid "    " and resid 63   and name H   ))
   (( segid "    " and resid 56   and name HB2 ))
 OR {   91}
   (( segid "    " and resid 63   and name H   ))
   (( segid "    " and resid 49   and name HB3 ))
 OR {   91}
   (( segid "    " and resid 63   and name H   ))
   (( segid "    " and resid 44   and name HB  ))
 OR {   91}
   (( segid "    " and resid 63   and name H   ))
   (( segid "    " and resid 12   and name HB3 ))
 OR {   91}
   (( segid "    " and resid 63   and name H   ))
   (( segid "    " and resid 33   and name HB2 ))
 OR {   91}
   (( segid "    " and resid 63   and name H   ))
   (( segid "    " and resid 30   and name HB2 ))
 OR {   91}
   (( segid "    " and resid 63   and name H   ))
   (( segid "    " and resid 4    and name HG3 ))
 OR {   91}
   (( segid "    " and resid 63   and name H   ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {   91}
   (( segid "    " and resid 63   and name H   ))
   (( segid "    " and resid 28   and name HB2 ))
 OR {   91}
   (( segid "    " and resid 63   and name H   ))
   (( segid "    " and resid 17   and name HG3 ))
 OR {   91}
   (( segid "    " and resid 63   and name H   ))
   (  segid "    " and resid 83   and name HE% )
 OR {   91}
   (( segid "    " and resid 63   and name H   ))
   (( segid "    " and resid 25   and name HB3 ))
 OR {   91}
   (( segid "    " and resid 63   and name H   ))
   (( segid "    " and resid 83   and name HB3 ))
 OR {   91}
   (( segid "    " and resid 63   and name H   ))
   (( segid "    " and resid 25   and name HB2 ))
 OR {   91}
   (( segid "    " and resid 63   and name H   ))
   (( segid "    " and resid 83   and name HB2 ))
 OR {   91}
   (( segid "    " and resid 63   and name H   ))
   (  segid "    " and resid 87   and name HE% )
 OR {   91}
   (( segid "    " and resid 63   and name H   ))
   (( segid "    " and resid 87   and name HB3 ))
 ASSI {   92}
   (( segid "    " and resid 62   and name H   ))
   (  segid "    " and resid 65   and name HD% )
      3.000     1.100     1.100 peak    92 spectrum    1 weight  0.10000E+01 volume  0.25791E-03 ppm1      7.650 ppm2      7.156 CV     1
 OR {   92}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 64   and name HZ2 ))
 OR {   92}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 58   and name HD22))
 OR {   92}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 50   and name HE  ))
 OR {   92}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 70   and name HE  ))
 OR {   92}
   (( segid "    " and resid 62   and name H   ))
   (  segid "    " and resid 43   and name HE% )
 OR {   92}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 73   and name HD2 ))
 OR {   92}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 39   and name HD2 ))
 OR {   92}
   (( segid "    " and resid 62   and name H   ))
   (  segid "    " and resid 1    and name HD% )
 OR {   92}
   (( segid "    " and resid 62   and name H   ))
   (  segid "    " and resid 81   and name HD% )
 OR {   92}
   (( segid "    " and resid 62   and name H   ))
   (  segid "    " and resid 81   and name HE% )
 OR {   92}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 26   and name H   ))
 OR {   92}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 85   and name HE  ))
 ASSI {   93}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 63   and name HB2 ))
      3.800     1.800     1.800 peak    93 spectrum    1 weight  0.10000E+01 volume  0.46849E-03 ppm1      7.649 ppm2      1.994 CV     1
 OR {   93}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {   93}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 59   and name HB2 ))
 OR {   93}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 59   and name HG2 ))
 OR {   93}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 66   and name HB2 ))
 OR {   93}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 66   and name HB3 ))
 OR {   93}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 57   and name HB3 ))
 OR {   93}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 56   and name HB2 ))
 OR {   93}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 69   and name HB3 ))
 OR {   93}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 49   and name HB3 ))
 OR {   93}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 44   and name HB  ))
 OR {   93}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 12   and name HB3 ))
 OR {   93}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 33   and name HB2 ))
 OR {   93}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 30   and name HB2 ))
 OR {   93}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 4    and name HG3 ))
 OR {   93}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {   93}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 28   and name HB2 ))
 OR {   93}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 17   and name HG3 ))
 OR {   93}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 25   and name HB3 ))
 OR {   93}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 25   and name HB2 ))
 OR {   93}
   (( segid "    " and resid 62   and name H   ))
   (  segid "    " and resid 83   and name HE% )
 OR {   93}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 83   and name HB3 ))
 OR {   93}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 83   and name HB2 ))
 OR {   93}
   (( segid "    " and resid 62   and name H   ))
   (  segid "    " and resid 87   and name HE% )
 OR {   93}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 87   and name HB3 ))
 ASSI {   94}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 63   and name HG3 ))
      4.800     2.800     1.200 peak    94 spectrum    1 weight  0.10000E+01 volume  0.22477E-03 ppm1      7.645 ppm2      2.219 CV     1
 OR {   94}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 63   and name HG2 ))
 OR {   94}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 66   and name HG3 ))
 OR {   94}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 49   and name HG2 ))
 OR {   94}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 69   and name HG2 ))
 OR {   94}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 69   and name HG3 ))
 OR {   94}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 49   and name HG3 ))
 OR {   94}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 49   and name HB2 ))
 OR {   94}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 54   and name HB  ))
 OR {   94}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 12   and name HG2 ))
 OR {   94}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 12   and name HG3 ))
 OR {   94}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 33   and name HG2 ))
 OR {   94}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 32   and name HG2 ))
 OR {   94}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 5    and name HB2 ))
 OR {   94}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 77   and name HB3 ))
 OR {   94}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 4    and name HB3 ))
 OR {   94}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 30   and name HG2 ))
 OR {   94}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 28   and name HG2 ))
 OR {   94}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 28   and name HG3 ))
 OR {   94}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 17   and name HB2 ))
 OR {   94}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 26   and name HB  ))
 ASSI {   95}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 58   and name HB2 ))
      3.100     1.200     1.200 peak    95 spectrum    1 weight  0.10000E+01 volume  0.20348E-03 ppm1      7.655 ppm2      2.803 CV     1
 OR {   95}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 55   and name HB2 ))
 OR {   95}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 10   and name HB2 ))
 OR {   95}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 15   and name HD3 ))
 OR {   95}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 15   and name HD2 ))
 OR {   95}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 80   and name HB3 ))
 ASSI {   96}
   (( segid "    " and resid 62   and name H   ))
   (  segid "    " and resid 54   and name HD1%)
      3.000     1.200     1.200 peak    96 spectrum    1 weight  0.10000E+01 volume  0.21531E-03 ppm1      7.653 ppm2      0.780 CV     1
 OR {   96}
   (( segid "    " and resid 62   and name H   ))
   (  segid "    " and resid 44   and name HG2%)
 OR {   96}
   (( segid "    " and resid 62   and name H   ))
   (  segid "    " and resid 72   and name HD2%)
 OR {   96}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 52   and name HG13))
 OR {   96}
   (( segid "    " and resid 62   and name H   ))
   (  segid "    " and resid 72   and name HD1%)
 OR {   96}
   (( segid "    " and resid 62   and name H   ))
   (  segid "    " and resid 40   and name HD2%)
 OR {   96}
   (( segid "    " and resid 62   and name H   ))
   (  segid "    " and resid 40   and name HD1%)
 OR {   96}
   (( segid "    " and resid 62   and name H   ))
   (  segid "    " and resid 76   and name HD2%)
 OR {   96}
   (( segid "    " and resid 62   and name H   ))
   (  segid "    " and resid 76   and name HD1%)
 OR {   96}
   (( segid "    " and resid 62   and name H   ))
   (  segid "    " and resid 29   and name HG1%)
 OR {   96}
   (( segid "    " and resid 62   and name H   ))
   (  segid "    " and resid 3    and name HD2%)
 OR {   96}
   (( segid "    " and resid 62   and name H   ))
   (  segid "    " and resid 3    and name HD1%)
 OR {   96}
   (( segid "    " and resid 62   and name H   ))
   (  segid "    " and resid 27   and name HD1%)
 OR {   96}
   (( segid "    " and resid 62   and name H   ))
   (  segid "    " and resid 26   and name HG1%)
 OR {   96}
   (( segid "    " and resid 62   and name H   ))
   (  segid "    " and resid 79   and name HD2%)
 OR {   96}
   (( segid "    " and resid 62   and name H   ))
   (  segid "    " and resid 2    and name HD1%)
 OR {   96}
   (( segid "    " and resid 62   and name H   ))
   (  segid "    " and resid 2    and name HD2%)
 OR {   96}
   (( segid "    " and resid 62   and name H   ))
   (  segid "    " and resid 18   and name HD2%)
 OR {   96}
   (( segid "    " and resid 62   and name H   ))
   (  segid "    " and resid 22   and name HD1%)
 OR {   96}
   (( segid "    " and resid 62   and name H   ))
   (  segid "    " and resid 84   and name HD2%)
 OR {   96}
   (( segid "    " and resid 62   and name H   ))
   (  segid "    " and resid 84   and name HD1%)
 OR {   96}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 23   and name HB3 ))
 ASSI {   97}
   (( segid "    " and resid 61   and name H   ))
   (( segid "    " and resid 59   and name HB2 ))
      3.300     1.300     1.300 peak    97 spectrum    1 weight  0.10000E+01 volume  0.37384E-03 ppm1      7.550 ppm2      1.985 CV     1
 OR {   97}
   (( segid "    " and resid 61   and name H   ))
   (( segid "    " and resid 59   and name HG2 ))
 OR {   97}
   (( segid "    " and resid 61   and name H   ))
   (( segid "    " and resid 63   and name HB2 ))
 OR {   97}
   (( segid "    " and resid 61   and name H   ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {   97}
   (( segid "    " and resid 61   and name H   ))
   (( segid "    " and resid 57   and name HB3 ))
 OR {   97}
   (( segid "    " and resid 61   and name H   ))
   (( segid "    " and resid 66   and name HB2 ))
 OR {   97}
   (( segid "    " and resid 61   and name H   ))
   (( segid "    " and resid 66   and name HB3 ))
 OR {   97}
   (( segid "    " and resid 61   and name H   ))
   (( segid "    " and resid 49   and name HB3 ))
 OR {   97}
   (( segid "    " and resid 61   and name H   ))
   (( segid "    " and resid 69   and name HB3 ))
 OR {   97}
   (( segid "    " and resid 61   and name H   ))
   (( segid "    " and resid 69   and name HB2 ))
 OR {   97}
   (( segid "    " and resid 61   and name H   ))
   (( segid "    " and resid 44   and name HB  ))
 OR {   97}
   (( segid "    " and resid 61   and name H   ))
   (( segid "    " and resid 12   and name HB3 ))
 OR {   97}
   (( segid "    " and resid 61   and name H   ))
   (( segid "    " and resid 13   and name HB3 ))
 OR {   97}
   (( segid "    " and resid 61   and name H   ))
   (( segid "    " and resid 33   and name HB2 ))
 OR {   97}
   (( segid "    " and resid 61   and name H   ))
   (( segid "    " and resid 5    and name HG2 ))
 OR {   97}
   (( segid "    " and resid 61   and name H   ))
   (( segid "    " and resid 5    and name HG3 ))
 OR {   97}
   (( segid "    " and resid 61   and name H   ))
   (( segid "    " and resid 30   and name HB2 ))
 OR {   97}
   (( segid "    " and resid 61   and name H   ))
   (( segid "    " and resid 4    and name HG3 ))
 OR {   97}
   (( segid "    " and resid 61   and name H   ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {   97}
   (( segid "    " and resid 61   and name H   ))
   (( segid "    " and resid 28   and name HB2 ))
 OR {   97}
   (( segid "    " and resid 61   and name H   ))
   (( segid "    " and resid 17   and name HG3 ))
 OR {   97}
   (( segid "    " and resid 61   and name H   ))
   (( segid "    " and resid 25   and name HB3 ))
 OR {   97}
   (( segid "    " and resid 61   and name H   ))
   (( segid "    " and resid 25   and name HB2 ))
 OR {   97}
   (( segid "    " and resid 61   and name H   ))
   (  segid "    " and resid 83   and name HE% )
 OR {   97}
   (( segid "    " and resid 61   and name H   ))
   (( segid "    " and resid 83   and name HB3 ))
 OR {   97}
   (( segid "    " and resid 61   and name H   ))
   (( segid "    " and resid 83   and name HB2 ))
 OR {   97}
   (( segid "    " and resid 61   and name H   ))
   (  segid "    " and resid 87   and name HE% )
 OR {   97}
   (( segid "    " and resid 61   and name H   ))
   (( segid "    " and resid 87   and name HB3 ))
 ASSI {   98}
   (( segid "    " and resid 61   and name H   ))
   (  segid "    " and resid 47   and name HD2%)
      2.700     0.900     0.900 peak    98 spectrum    1 weight  0.10000E+01 volume  0.42353E-03 ppm1      7.552 ppm2      0.710 CV     1
 OR {   98}
   (( segid "    " and resid 61   and name H   ))
   (  segid "    " and resid 47   and name HD1%)
 OR {   98}
   (( segid "    " and resid 61   and name H   ))
   (  segid "    " and resid 44   and name HG2%)
 OR {   98}
   (( segid "    " and resid 61   and name H   ))
   (  segid "    " and resid 52   and name HG2%)
 OR {   98}
   (( segid "    " and resid 61   and name H   ))
   (  segid "    " and resid 40   and name HD2%)
 OR {   98}
   (( segid "    " and resid 61   and name H   ))
   (  segid "    " and resid 72   and name HD1%)
 OR {   98}
   (( segid "    " and resid 61   and name H   ))
   (  segid "    " and resid 31   and name HD1%)
 OR {   98}
   (( segid "    " and resid 61   and name H   ))
   (  segid "    " and resid 29   and name HG1%)
 OR {   98}
   (( segid "    " and resid 61   and name H   ))
   (  segid "    " and resid 27   and name HD1%)
 OR {   98}
   (( segid "    " and resid 61   and name H   ))
   (  segid "    " and resid 26   and name HG2%)
 OR {   98}
   (( segid "    " and resid 61   and name H   ))
   (  segid "    " and resid 2    and name HD1%)
 OR {   98}
   (( segid "    " and resid 61   and name H   ))
   (  segid "    " and resid 18   and name HD2%)
 OR {   98}
   (( segid "    " and resid 61   and name H   ))
   (  segid "    " and resid 18   and name HD1%)
 OR {   98}
   (( segid "    " and resid 61   and name H   ))
   (  segid "    " and resid 79   and name HD1%)
 OR {   98}
   (( segid "    " and resid 61   and name H   ))
   (  segid "    " and resid 79   and name HD2%)
 OR {   98}
   (( segid "    " and resid 61   and name H   ))
   (  segid "    " and resid 22   and name HD1%)
 OR {   98}
   (( segid "    " and resid 61   and name H   ))
   (  segid "    " and resid 22   and name HD2%)
 OR {   98}
   (( segid "    " and resid 61   and name H   ))
   (  segid "    " and resid 84   and name HD2%)
 ASSI {   99}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 60   and name HB2 ))
      3.700     1.700     1.700 peak    99 spectrum    1 weight  0.10000E+01 volume  0.19354E-02 ppm1      8.697 ppm2      3.653 CV     1
 OR {   99}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 59   and name HD2 ))
 OR {   99}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 56   and name HD2 ))
 OR {   99}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 53   and name HB3 ))
 OR {   99}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 5    and name HD2 ))
 OR {   99}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 17   and name HD3 ))
 OR {   99}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 26   and name HA  ))
 OR {   99}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 23   and name HA  ))
 OR {   99}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 88   and name HA3 ))
 OR {   99}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 88   and name HA2 ))
 ASSI {  100}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 58   and name HB3 ))
      3.100     1.200     1.200 peak   100 spectrum    1 weight  0.10000E+01 volume  0.18929E-03 ppm1      8.696 ppm2      3.071 CV     1
 OR {  100}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 64   and name HB3 ))
 OR {  100}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 64   and name HB2 ))
 OR {  100}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 65   and name HB2 ))
 OR {  100}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 65   and name HB3 ))
 OR {  100}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 50   and name HD2 ))
 OR {  100}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 46   and name HB3 ))
 OR {  100}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 50   and name HD3 ))
 OR {  100}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 67   and name HB3 ))
 OR {  100}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 39   and name HB2 ))
 OR {  100}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 70   and name HD2 ))
 OR {  100}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 70   and name HD3 ))
 OR {  100}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 14   and name HB2 ))
 OR {  100}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 14   and name HB3 ))
 OR {  100}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 73   and name HB2 ))
 OR {  100}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 1    and name HB3 ))
 OR {  100}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 1    and name HB2 ))
 OR {  100}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 24   and name HD3 ))
 OR {  100}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 81   and name HB2 ))
 OR {  100}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 85   and name HD3 ))
 OR {  100}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 85   and name HD2 ))
 ASSI {  101}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 59   and name HB2 ))
      3.100     1.200     1.200 peak   101 spectrum    1 weight  0.10000E+01 volume  0.10813E-02 ppm1      8.696 ppm2      1.986 CV     1
 OR {  101}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 59   and name HG2 ))
 OR {  101}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 57   and name HB3 ))
 OR {  101}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 63   and name HB2 ))
 OR {  101}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {  101}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 49   and name HB3 ))
 OR {  101}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 66   and name HB2 ))
 OR {  101}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 66   and name HB3 ))
 OR {  101}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 44   and name HB  ))
 OR {  101}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 69   and name HB3 ))
 OR {  101}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 69   and name HB2 ))
 OR {  101}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 12   and name HB3 ))
 OR {  101}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 13   and name HB3 ))
 OR {  101}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 33   and name HB2 ))
 OR {  101}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 5    and name HG2 ))
 OR {  101}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 5    and name HG3 ))
 OR {  101}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 30   and name HB2 ))
 OR {  101}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 4    and name HG3 ))
 OR {  101}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {  101}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 28   and name HB2 ))
 OR {  101}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 17   and name HG3 ))
 OR {  101}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 25   and name HB3 ))
 OR {  101}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 25   and name HB2 ))
 OR {  101}
   (( segid "    " and resid 60   and name H   ))
   (  segid "    " and resid 83   and name HE% )
 OR {  101}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 83   and name HB3 ))
 OR {  101}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 83   and name HB2 ))
 OR {  101}
   (( segid "    " and resid 60   and name H   ))
   (  segid "    " and resid 87   and name HE% )
 OR {  101}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 87   and name HB3 ))
 ASSI {  102}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 50   and name HB2 ))
      3.000     1.200     1.200 peak   102 spectrum    1 weight  0.10000E+01 volume  0.21294E-03 ppm1      8.701 ppm2      1.758 CV     1
 OR {  102}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {  102}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 68   and name HG3 ))
 OR {  102}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 41   and name HB2 ))
 OR {  102}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 41   and name HB3 ))
 OR {  102}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 70   and name HB2 ))
 OR {  102}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 70   and name HB3 ))
 OR {  102}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 71   and name HB3 ))
 OR {  102}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 32   and name HB3 ))
 OR {  102}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 29   and name HB  ))
 OR {  102}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 16   and name HB2 ))
 OR {  102}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 4    and name HB2 ))
 OR {  102}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 27   and name HB  ))
 OR {  102}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 17   and name HB3 ))
 OR {  102}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 18   and name HG  ))
 OR {  102}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 24   and name HB3 ))
 OR {  102}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 77   and name HB2 ))
 OR {  102}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 24   and name HG2 ))
 OR {  102}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 24   and name HG3 ))
 OR {  102}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 78   and name HB2 ))
 OR {  102}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 85   and name HB3 ))
 OR {  102}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 86   and name HB2 ))
 OR {  102}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 86   and name HB3 ))
 ASSI {  103}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 61   and name HB3 ))
      5.200     3.300     0.800 peak   103 spectrum    1 weight  0.10000E+01 volume  0.22241E-03 ppm1      8.703 ppm2      1.514 CV     1
 OR {  103}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 47   and name HG  ))
 OR {  103}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 50   and name HG2 ))
 OR {  103}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 52   and name HB  ))
 OR {  103}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 70   and name HG3 ))
 OR {  103}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 70   and name HG2 ))
 OR {  103}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 13   and name HG  ))
 OR {  103}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {  103}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {  103}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 72   and name HB3 ))
 OR {  103}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 15   and name HG2 ))
 OR {  103}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 3    and name HB3 ))
 OR {  103}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {  103}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {  103}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 3    and name HB2 ))
 OR {  103}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 3    and name HG  ))
 OR {  103}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 2    and name HB3 ))
 OR {  103}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 27   and name HG12))
 OR {  103}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 2    and name HB2 ))
 OR {  103}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 2    and name HG  ))
 OR {  103}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 18   and name HB2 ))
 OR {  103}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 76   and name HB2 ))
 OR {  103}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {  103}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 76   and name HB3 ))
 OR {  103}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 23   and name HB2 ))
 OR {  103}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {  103}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 22   and name HB3 ))
 OR {  103}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 84   and name HB2 ))
 OR {  103}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 84   and name HB3 ))
 OR {  103}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 84   and name HG  ))
 OR {  103}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {  103}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 85   and name HG3 ))
 ASSI {  104}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 61   and name HB2 ))
      4.300     2.300     1.700 peak   104 spectrum    1 weight  0.10000E+01 volume  0.21294E-03 ppm1      8.700 ppm2      1.375 CV     1
 OR {  104}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 56   and name HG2 ))
 OR {  104}
   (( segid "    " and resid 60   and name H   ))
   (  segid "    " and resid 48   and name HB% )
 OR {  104}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 40   and name HB2 ))
 OR {  104}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 71   and name HG3 ))
 OR {  104}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 72   and name HB2 ))
 OR {  104}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 72   and name HG  ))
 OR {  104}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 15   and name HB2 ))
 OR {  104}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 15   and name HG3 ))
 OR {  104}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 25   and name HG2 ))
 OR {  104}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 78   and name HG2 ))
 OR {  104}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 23   and name HG  ))
 OR {  104}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 78   and name HG3 ))
 OR {  104}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 22   and name HG  ))
 OR {  104}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 21   and name HG2 ))
 OR {  104}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 79   and name HG  ))
 OR {  104}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 79   and name HB2 ))
 OR {  104}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 86   and name HG2 ))
 OR {  104}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 86   and name HG3 ))
 ASSI {  105}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 61   and name HG  ))
      4.800     2.800     1.200 peak   105 spectrum    1 weight  0.10000E+01 volume  0.25553E-03 ppm1      8.700 ppm2      1.232 CV     1
 OR {  105}
   (( segid "    " and resid 60   and name H   ))
   (  segid "    " and resid 54   and name HG2%)
 OR {  105}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 54   and name HG13))
 OR {  105}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 54   and name HG12))
 OR {  105}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 50   and name HG3 ))
 OR {  105}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 45   and name HB2 ))
 OR {  105}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 52   and name HG12))
 OR {  105}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 40   and name HB3 ))
 OR {  105}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 40   and name HG  ))
 OR {  105}
   (( segid "    " and resid 60   and name H   ))
   (  segid "    " and resid 34   and name HB% )
 OR {  105}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 71   and name HG2 ))
 OR {  105}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 31   and name HB3 ))
 OR {  105}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 16   and name HB3 ))
 OR {  105}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 16   and name HG3 ))
 OR {  105}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 16   and name HG2 ))
 OR {  105}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 18   and name HB3 ))
 OR {  105}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 21   and name HG3 ))
 OR {  105}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 79   and name HB3 ))
 ASSI {  106}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 59   and name HA  ))
      4.300     2.300     1.700 peak   106 spectrum    1 weight  0.10000E+01 volume  0.38567E-03 ppm1      8.696 ppm2      4.456 CV     1
 OR {  106}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 57   and name HA  ))
 OR {  106}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 49   and name HA  ))
 OR {  106}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 52   and name HA  ))
 OR {  106}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 67   and name HA  ))
 OR {  106}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 44   and name HA  ))
 OR {  106}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 9    and name HA  ))
 OR {  106}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 40   and name HA  ))
 OR {  106}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 12   and name HA  ))
 OR {  106}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 14   and name HA  ))
 OR {  106}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 32   and name HA  ))
 OR {  106}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 31   and name HA  ))
 OR {  106}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 17   and name HA  ))
 OR {  106}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 18   and name HA  ))
 OR {  106}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 81   and name HA  ))
 OR {  106}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 87   and name HA  ))
 ASSI {  107}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 59   and name HD2 ))
      4.700     2.800     1.300 peak   107 spectrum    1 weight  0.10000E+01 volume  0.77844E-03 ppm1      8.258 ppm2      3.653 CV     1
 OR {  107}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 56   and name HD2 ))
 OR {  107}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 60   and name HB2 ))
 OR {  107}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 53   and name HB3 ))
 OR {  107}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 5    and name HD2 ))
 OR {  107}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 17   and name HD3 ))
 OR {  107}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 26   and name HA  ))
 OR {  107}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 23   and name HA  ))
 OR {  107}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 88   and name HA3 ))
 OR {  107}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 88   and name HA2 ))
 ASSI {  108}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 56   and name HA  ))
      2.700     0.900     0.900 peak   108 spectrum    1 weight  0.10000E+01 volume  0.16420E-02 ppm1      8.262 ppm2      4.336 CV     1
 OR {  108}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 60   and name HA  ))
 OR {  108}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 55   and name HA  ))
 OR {  108}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 64   and name HA  ))
 OR {  108}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 42   and name HA  ))
 OR {  108}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 11   and name HA  ))
 OR {  108}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 8    and name HA  ))
 OR {  108}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 13   and name HA  ))
 OR {  108}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 33   and name HA  ))
 OR {  108}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 6    and name HA  ))
 OR {  108}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 5    and name HA  ))
 OR {  108}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 15   and name HA  ))
 OR {  108}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 16   and name HA  ))
 OR {  108}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 2    and name HA  ))
 OR {  108}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 25   and name HA  ))
 OR {  108}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 19   and name HA  ))
 OR {  108}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 75   and name HA  ))
 OR {  108}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 77   and name HA  ))
 OR {  108}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 83   and name HA  ))
 ASSI {  109}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 59   and name HD3 ))
      4.400     2.400     1.600 peak   109 spectrum    1 weight  0.10000E+01 volume  0.77844E-03 ppm1      8.260 ppm2      4.037 CV     1
 OR {  109}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 48   and name HA  ))
 OR {  109}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 61   and name HA  ))
 OR {  109}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 63   and name HA  ))
 OR {  109}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 66   and name HA  ))
 OR {  109}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 36   and name HA3 ))
 OR {  109}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 68   and name HA  ))
 OR {  109}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 69   and name HA  ))
 OR {  109}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 22   and name HA  ))
 ASSI {  110}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 59   and name HG3 ))
      4.800     2.900     1.200 peak   110 spectrum    1 weight  0.10000E+01 volume  0.25553E-03 ppm1      8.260 ppm2      2.069 CV     1
 OR {  110}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 56   and name HB2 ))
 OR {  110}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {  110}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 66   and name HG2 ))
 OR {  110}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 33   and name HG3 ))
 OR {  110}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 33   and name HB2 ))
 OR {  110}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 32   and name HG3 ))
 OR {  110}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 30   and name HG3 ))
 OR {  110}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 30   and name HB3 ))
 OR {  110}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 28   and name HB2 ))
 OR {  110}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 17   and name HG3 ))
 OR {  110}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 25   and name HB3 ))
 OR {  110}
   (( segid "    " and resid 58   and name H   ))
   (  segid "    " and resid 83   and name HE% )
 OR {  110}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 83   and name HB3 ))
 OR {  110}
   (( segid "    " and resid 58   and name H   ))
   (  segid "    " and resid 87   and name HE% )
 OR {  110}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 87   and name HB2 ))
 ASSI {  111}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 56   and name HB3 ))
      2.700     0.900     0.900 peak   111 spectrum    1 weight  0.10000E+01 volume  0.47321E-03 ppm1      8.255 ppm2      1.827 CV     1
 OR {  111}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 47   and name HB3 ))
 OR {  111}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 50   and name HB2 ))
 OR {  111}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 50   and name HB3 ))
 OR {  111}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 41   and name HG3 ))
 OR {  111}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 41   and name HB2 ))
 OR {  111}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 41   and name HB3 ))
 OR {  111}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 68   and name HG2 ))
 OR {  111}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 68   and name HB2 ))
 OR {  111}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 32   and name HB2 ))
 OR {  111}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 15   and name HB3 ))
 OR {  111}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 32   and name HB3 ))
 OR {  111}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 5    and name HB3 ))
 OR {  111}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 29   and name HB  ))
 OR {  111}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 16   and name HB2 ))
 OR {  111}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 4    and name HB2 ))
 OR {  111}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 28   and name HB3 ))
 OR {  111}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 70   and name HB3 ))
 OR {  111}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 27   and name HB  ))
 OR {  111}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 17   and name HG2 ))
 OR {  111}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 24   and name HB3 ))
 OR {  111}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 24   and name HB2 ))
 OR {  111}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 24   and name HG2 ))
 OR {  111}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 77   and name HG2 ))
 OR {  111}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 77   and name HG3 ))
 OR {  111}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 77   and name HB2 ))
 OR {  111}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 85   and name HB3 ))
 OR {  111}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 86   and name HB3 ))
 ASSI {  112}
   (( segid "    " and resid 58   and name H   ))
   (  segid "    " and resid 61   and name HD2%)
      3.000     1.100     1.100 peak   112 spectrum    1 weight  0.10000E+01 volume  0.25317E-03 ppm1      8.260 ppm2      0.351 CV     1
 OR {  112}
   (( segid "    " and resid 58   and name H   ))
   (  segid "    " and resid 44   and name HG1%)
 OR {  112}
   (( segid "    " and resid 58   and name H   ))
   (  segid "    " and resid 31   and name HD2%)
 ASSI {  113}
   (( segid "    " and resid 58   and name H   ))
   (  segid "    " and resid 61   and name HD1%)
      2.500     0.800     0.800 peak   113 spectrum    1 weight  0.10000E+01 volume  0.65304E-03 ppm1      8.261 ppm2      0.471 CV     1
 OR {  113}
   (( segid "    " and resid 58   and name H   ))
   (  segid "    " and resid 52   and name HD1%)
 OR {  113}
   (( segid "    " and resid 58   and name H   ))
   (  segid "    " and resid 29   and name HG2%)
 OR {  113}
   (( segid "    " and resid 58   and name H   ))
   (  segid "    " and resid 23   and name HD1%)
 ASSI {  114}
   (( segid "    " and resid 58   and name H   ))
   (  segid "    " and resid 47   and name HD2%)
      2.800     1.000     1.000 peak   114 spectrum    1 weight  0.10000E+01 volume  0.37857E-03 ppm1      8.254 ppm2      0.775 CV     1
 OR {  114}
   (( segid "    " and resid 58   and name H   ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  114}
   (( segid "    " and resid 58   and name H   ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  114}
   (( segid "    " and resid 58   and name H   ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  114}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 52   and name HG13))
 OR {  114}
   (( segid "    " and resid 58   and name H   ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  114}
   (( segid "    " and resid 58   and name H   ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  114}
   (( segid "    " and resid 58   and name H   ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  114}
   (( segid "    " and resid 58   and name H   ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  114}
   (( segid "    " and resid 58   and name H   ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  114}
   (( segid "    " and resid 58   and name H   ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  114}
   (( segid "    " and resid 58   and name H   ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  114}
   (( segid "    " and resid 58   and name H   ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  114}
   (( segid "    " and resid 58   and name H   ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  114}
   (( segid "    " and resid 58   and name H   ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  114}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {  114}
   (( segid "    " and resid 58   and name H   ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  114}
   (( segid "    " and resid 58   and name H   ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  114}
   (( segid "    " and resid 58   and name H   ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  114}
   (( segid "    " and resid 58   and name H   ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  114}
   (( segid "    " and resid 58   and name H   ))
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  115}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 55   and name HE1 ))
      2.900     1.000     1.000 peak   115 spectrum    1 weight  0.10000E+01 volume  0.30049E-03 ppm1      8.259 ppm2      7.767 CV     1
 OR {  115}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 64   and name H   ))
 OR {  115}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 12   and name H   ))
 OR {  115}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 24   and name H   ))
 OR {  115}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 23   and name H   ))
 ASSI {  116}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 57   and name HE22))
      5.900     4.400     0.100 peak   116 spectrum    1 weight  0.10000E+01 volume  0.18219E-03 ppm1      8.259 ppm2      6.877 CV     1
 OR {  116}
   (( segid "    " and resid 58   and name H   ))
   (  segid "    " and resid 43   and name HD% )
 OR {  116}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 64   and name HD1 ))
 OR {  116}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 63   and name HE22))
 OR {  116}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 64   and name HH2 ))
 OR {  116}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 65   and name HZ  ))
 OR {  116}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 12   and name HE21))
 OR {  116}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 80   and name HD22))
 ASSI {  117}
   (( segid "    " and resid 55   and name H   ))
   (( segid "    " and resid 50   and name HD2 ))
      3.000     1.100     1.100 peak   117 spectrum    1 weight  0.10000E+01 volume  0.22477E-03 ppm1      8.389 ppm2      3.056 CV     1
 OR {  117}
   (( segid "    " and resid 55   and name H   ))
   (( segid "    " and resid 50   and name HD3 ))
 OR {  117}
   (( segid "    " and resid 55   and name H   ))
   (( segid "    " and resid 46   and name HB3 ))
 OR {  117}
   (( segid "    " and resid 55   and name H   ))
   (( segid "    " and resid 58   and name HB3 ))
 OR {  117}
   (( segid "    " and resid 55   and name H   ))
   (( segid "    " and resid 39   and name HB2 ))
 OR {  117}
   (( segid "    " and resid 55   and name H   ))
   (( segid "    " and resid 14   and name HB2 ))
 OR {  117}
   (( segid "    " and resid 55   and name H   ))
   (( segid "    " and resid 14   and name HB3 ))
 OR {  117}
   (( segid "    " and resid 55   and name H   ))
   (( segid "    " and resid 64   and name HB3 ))
 OR {  117}
   (( segid "    " and resid 55   and name H   ))
   (( segid "    " and resid 64   and name HB2 ))
 OR {  117}
   (( segid "    " and resid 55   and name H   ))
   (( segid "    " and resid 65   and name HB3 ))
 OR {  117}
   (( segid "    " and resid 55   and name H   ))
   (( segid "    " and resid 1    and name HB3 ))
 OR {  117}
   (( segid "    " and resid 55   and name H   ))
   (( segid "    " and resid 1    and name HB2 ))
 OR {  117}
   (( segid "    " and resid 55   and name H   ))
   (( segid "    " and resid 24   and name HD3 ))
 OR {  117}
   (( segid "    " and resid 55   and name H   ))
   (( segid "    " and resid 67   and name HB3 ))
 OR {  117}
   (( segid "    " and resid 55   and name H   ))
   (( segid "    " and resid 70   and name HD2 ))
 OR {  117}
   (( segid "    " and resid 55   and name H   ))
   (( segid "    " and resid 70   and name HD3 ))
 OR {  117}
   (( segid "    " and resid 55   and name H   ))
   (( segid "    " and resid 73   and name HB2 ))
 OR {  117}
   (( segid "    " and resid 55   and name H   ))
   (( segid "    " and resid 81   and name HB2 ))
 OR {  117}
   (( segid "    " and resid 55   and name H   ))
   (( segid "    " and resid 85   and name HD3 ))
 OR {  117}
   (( segid "    " and resid 55   and name H   ))
   (( segid "    " and resid 85   and name HD2 ))
 ASSI {  118}
   (( segid "    " and resid 55   and name H   ))
   (( segid "    " and resid 54   and name HG13))
      3.500     1.500     1.500 peak   118 spectrum    1 weight  0.10000E+01 volume  0.44718E-03 ppm1      8.399 ppm2      1.228 CV     1
 OR {  118}
   (( segid "    " and resid 55   and name H   ))
   (  segid "    " and resid 54   and name HG2%)
 OR {  118}
   (( segid "    " and resid 55   and name H   ))
   (( segid "    " and resid 54   and name HG12))
 OR {  118}
   (( segid "    " and resid 55   and name H   ))
   (( segid "    " and resid 50   and name HG3 ))
 OR {  118}
   (( segid "    " and resid 55   and name H   ))
   (( segid "    " and resid 52   and name HG12))
 OR {  118}
   (( segid "    " and resid 55   and name H   ))
   (( segid "    " and resid 45   and name HB2 ))
 OR {  118}
   (( segid "    " and resid 55   and name H   ))
   (( segid "    " and resid 40   and name HB3 ))
 OR {  118}
   (( segid "    " and resid 55   and name H   ))
   (( segid "    " and resid 40   and name HG  ))
 OR {  118}
   (( segid "    " and resid 55   and name H   ))
   (  segid "    " and resid 34   and name HB% )
 OR {  118}
   (( segid "    " and resid 55   and name H   ))
   (( segid "    " and resid 61   and name HG  ))
 OR {  118}
   (( segid "    " and resid 55   and name H   ))
   (( segid "    " and resid 31   and name HB3 ))
 OR {  118}
   (( segid "    " and resid 55   and name H   ))
   (( segid "    " and resid 16   and name HB3 ))
 OR {  118}
   (( segid "    " and resid 55   and name H   ))
   (( segid "    " and resid 16   and name HG3 ))
 OR {  118}
   (( segid "    " and resid 55   and name H   ))
   (( segid "    " and resid 16   and name HG2 ))
 OR {  118}
   (( segid "    " and resid 55   and name H   ))
   (( segid "    " and resid 18   and name HB3 ))
 OR {  118}
   (( segid "    " and resid 55   and name H   ))
   (( segid "    " and resid 71   and name HG2 ))
 OR {  118}
   (( segid "    " and resid 55   and name H   ))
   (( segid "    " and resid 79   and name HB3 ))
 ASSI {  119}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 55   and name HA  ))
      4.400     2.400     1.600 peak   119 spectrum    1 weight  0.10000E+01 volume  0.39986E-03 ppm1      9.757 ppm2      4.363 CV     1
 OR {  119}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 56   and name HA  ))
 OR {  119}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 11   and name HA  ))
 OR {  119}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 42   and name HA  ))
 OR {  119}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 40   and name HA  ))
 OR {  119}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 8    and name HA  ))
 OR {  119}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 13   and name HA  ))
 OR {  119}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 59   and name HA  ))
 OR {  119}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 33   and name HA  ))
 OR {  119}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 6    and name HA  ))
 OR {  119}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 60   and name HA  ))
 OR {  119}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 5    and name HA  ))
 OR {  119}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 15   and name HA  ))
 OR {  119}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 16   and name HA  ))
 OR {  119}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 2    and name HA  ))
 OR {  119}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 19   and name HA  ))
 OR {  119}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 25   and name HA  ))
 OR {  119}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 75   and name HA  ))
 OR {  119}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 77   and name HA  ))
 OR {  119}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 83   and name HA  ))
 ASSI {  120}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 56   and name HG3 ))
      3.500     1.500     1.500 peak   120 spectrum    1 weight  0.10000E+01 volume  0.10979E-02 ppm1      9.760 ppm2      1.620 CV     1
 OR {  120}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 45   and name HG  ))
 OR {  120}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 45   and name HB3 ))
 OR {  120}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 33   and name HB3 ))
 OR {  120}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 13   and name HG  ))
 OR {  120}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 31   and name HB2 ))
 OR {  120}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {  120}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 3    and name HG  ))
 OR {  120}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {  120}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 25   and name HD3 ))
 OR {  120}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {  120}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {  120}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 22   and name HB3 ))
 OR {  120}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 21   and name HB3 ))
 OR {  120}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 21   and name HB2 ))
 OR {  120}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 21   and name HD2 ))
 OR {  120}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 21   and name HD3 ))
 OR {  120}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 68   and name HB3 ))
 OR {  120}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 70   and name HG2 ))
 OR {  120}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 71   and name HB2 ))
 OR {  120}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {  120}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {  120}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 76   and name HG  ))
 OR {  120}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 78   and name HB3 ))
 OR {  120}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 78   and name HD2 ))
 OR {  120}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 78   and name HD3 ))
 OR {  120}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 84   and name HB3 ))
 OR {  120}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 85   and name HB2 ))
 OR {  120}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 86   and name HD3 ))
 OR {  120}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 86   and name HD2 ))
 ASSI {  121}
   (( segid "    " and resid 54   and name H   ))
   (  segid "    " and resid 54   and name HG2%)
      3.500     1.500     1.500 peak   121 spectrum    1 weight  0.10000E+01 volume  0.14078E-02 ppm1      9.757 ppm2      1.245 CV     1
 OR {  121}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 54   and name HG13))
 OR {  121}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 54   and name HG12))
 OR {  121}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 52   and name HG12))
 OR {  121}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 50   and name HG3 ))
 OR {  121}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 45   and name HB2 ))
 OR {  121}
   (( segid "    " and resid 54   and name H   ))
   (  segid "    " and resid 8    and name HB% )
 OR {  121}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 40   and name HB3 ))
 OR {  121}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 40   and name HG  ))
 OR {  121}
   (( segid "    " and resid 54   and name H   ))
   (  segid "    " and resid 34   and name HB% )
 OR {  121}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 31   and name HB3 ))
 OR {  121}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 61   and name HG  ))
 OR {  121}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 16   and name HB3 ))
 OR {  121}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 16   and name HG3 ))
 OR {  121}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 16   and name HG2 ))
 OR {  121}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 18   and name HB3 ))
 OR {  121}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 21   and name HG3 ))
 OR {  121}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 71   and name HG2 ))
 OR {  121}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 79   and name HB3 ))
 ASSI {  122}
   (( segid "    " and resid 54   and name H   ))
   (  segid "    " and resid 11   and name HG2%)
      2.600     0.800     0.800 peak   122 spectrum    1 weight  0.10000E+01 volume  0.60808E-03 ppm1      9.758 ppm2      1.070 CV     1
 OR {  122}
   (( segid "    " and resid 54   and name H   ))
   (  segid "    " and resid 42   and name HB% )
 OR {  122}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 13   and name HB2 ))
 OR {  122}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 31   and name HG  ))
 OR {  122}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 27   and name HG13))
 OR {  122}
   (( segid "    " and resid 54   and name H   ))
   (  segid "    " and resid 75   and name HG2%)
 ASSI {  123}
   (( segid "    " and resid 54   and name H   ))
   (  segid "    " and resid 52   and name HG2%)
      2.500     0.800     0.800 peak   123 spectrum    1 weight  0.10000E+01 volume  0.65776E-03 ppm1      9.755 ppm2      0.588 CV     1
 OR {  123}
   (( segid "    " and resid 54   and name H   ))
   (  segid "    " and resid 45   and name HD1%)
 OR {  123}
   (( segid "    " and resid 54   and name H   ))
   (  segid "    " and resid 45   and name HD2%)
 OR {  123}
   (( segid "    " and resid 54   and name H   ))
   (  segid "    " and resid 13   and name HD2%)
 OR {  123}
   (( segid "    " and resid 54   and name H   ))
   (  segid "    " and resid 31   and name HD1%)
 OR {  123}
   (( segid "    " and resid 54   and name H   ))
   (  segid "    " and resid 22   and name HD2%)
 ASSI {  124}
   (( segid "    " and resid 54   and name H   ))
   (  segid "    " and resid 44   and name HG1%)
      2.900     1.000     1.000 peak   124 spectrum    1 weight  0.10000E+01 volume  0.30285E-03 ppm1      9.755 ppm2      0.384 CV     1
 OR {  124}
   (( segid "    " and resid 54   and name H   ))
   (  segid "    " and resid 31   and name HD2%)
 OR {  124}
   (( segid "    " and resid 54   and name H   ))
   (  segid "    " and resid 61   and name HD2%)
 ASSI {  125}
   (( segid "    " and resid 53   and name H   ))
   (( segid "    " and resid 52   and name HG13))
      3.800     1.800     1.800 peak   125 spectrum    1 weight  0.10000E+01 volume  0.59389E-03 ppm1      8.890 ppm2      0.792 CV     1
 OR {  125}
   (( segid "    " and resid 53   and name H   ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  125}
   (( segid "    " and resid 53   and name H   ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  125}
   (( segid "    " and resid 53   and name H   ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  125}
   (( segid "    " and resid 53   and name H   ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  125}
   (( segid "    " and resid 53   and name H   ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  125}
   (( segid "    " and resid 53   and name H   ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  125}
   (( segid "    " and resid 53   and name H   ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  125}
   (( segid "    " and resid 53   and name H   ))
   (  segid "    " and resid 3    and name HD1%)
 OR {  125}
   (( segid "    " and resid 53   and name H   ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  125}
   (( segid "    " and resid 53   and name H   ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  125}
   (( segid "    " and resid 53   and name H   ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  125}
   (( segid "    " and resid 53   and name H   ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  125}
   (( segid "    " and resid 53   and name H   ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {  125}
   (( segid "    " and resid 53   and name H   ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  125}
   (( segid "    " and resid 53   and name H   ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  125}
   (( segid "    " and resid 53   and name H   ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  125}
   (( segid "    " and resid 53   and name H   ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  125}
   (( segid "    " and resid 53   and name H   ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  125}
   (( segid "    " and resid 53   and name H   ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  125}
   (( segid "    " and resid 53   and name H   ))
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  126}
   (( segid "    " and resid 52   and name H   ))
   (( segid "    " and resid 45   and name HG  ))
      4.000     2.000     2.000 peak   126 spectrum    1 weight  0.10000E+01 volume  0.95589E-03 ppm1      8.727 ppm2      1.620 CV     1
 OR {  126}
   (( segid "    " and resid 52   and name H   ))
   (( segid "    " and resid 45   and name HB3 ))
 OR {  126}
   (( segid "    " and resid 52   and name H   ))
   (( segid "    " and resid 56   and name HG3 ))
 OR {  126}
   (( segid "    " and resid 52   and name H   ))
   (( segid "    " and resid 33   and name HB3 ))
 OR {  126}
   (( segid "    " and resid 52   and name H   ))
   (( segid "    " and resid 13   and name HG  ))
 OR {  126}
   (( segid "    " and resid 52   and name H   ))
   (( segid "    " and resid 31   and name HB2 ))
 OR {  126}
   (( segid "    " and resid 52   and name H   ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {  126}
   (( segid "    " and resid 52   and name H   ))
   (( segid "    " and resid 3    and name HG  ))
 OR {  126}
   (( segid "    " and resid 52   and name H   ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {  126}
   (( segid "    " and resid 52   and name H   ))
   (( segid "    " and resid 25   and name HD3 ))
 OR {  126}
   (( segid "    " and resid 52   and name H   ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {  126}
   (( segid "    " and resid 52   and name H   ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {  126}
   (( segid "    " and resid 52   and name H   ))
   (( segid "    " and resid 22   and name HB3 ))
 OR {  126}
   (( segid "    " and resid 52   and name H   ))
   (( segid "    " and resid 21   and name HB3 ))
 OR {  126}
   (( segid "    " and resid 52   and name H   ))
   (( segid "    " and resid 21   and name HB2 ))
 OR {  126}
   (( segid "    " and resid 52   and name H   ))
   (( segid "    " and resid 21   and name HD2 ))
 OR {  126}
   (( segid "    " and resid 52   and name H   ))
   (( segid "    " and resid 21   and name HD3 ))
 OR {  126}
   (( segid "    " and resid 52   and name H   ))
   (( segid "    " and resid 68   and name HB3 ))
 OR {  126}
   (( segid "    " and resid 52   and name H   ))
   (( segid "    " and resid 70   and name HG2 ))
 OR {  126}
   (( segid "    " and resid 52   and name H   ))
   (( segid "    " and resid 71   and name HB2 ))
 OR {  126}
   (( segid "    " and resid 52   and name H   ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {  126}
   (( segid "    " and resid 52   and name H   ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {  126}
   (( segid "    " and resid 52   and name H   ))
   (( segid "    " and resid 76   and name HG  ))
 OR {  126}
   (( segid "    " and resid 52   and name H   ))
   (( segid "    " and resid 78   and name HB3 ))
 OR {  126}
   (( segid "    " and resid 52   and name H   ))
   (( segid "    " and resid 78   and name HD2 ))
 OR {  126}
   (( segid "    " and resid 52   and name H   ))
   (( segid "    " and resid 78   and name HD3 ))
 OR {  126}
   (( segid "    " and resid 52   and name H   ))
   (( segid "    " and resid 84   and name HB3 ))
 OR {  126}
   (( segid "    " and resid 52   and name H   ))
   (( segid "    " and resid 85   and name HB2 ))
 OR {  126}
   (( segid "    " and resid 52   and name H   ))
   (( segid "    " and resid 86   and name HD3 ))
 OR {  126}
   (( segid "    " and resid 52   and name H   ))
   (( segid "    " and resid 86   and name HD2 ))
 ASSI {  127}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 47   and name HA  ))
      4.200     2.200     1.800 peak   127 spectrum    1 weight  0.10000E+01 volume  0.51343E-03 ppm1      8.533 ppm2      4.816 CV     1
 OR {  127}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 54   and name HA  ))
 OR {  127}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 46   and name HA  ))
 OR {  127}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 30   and name HA  ))
 ASSI {  128}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 50   and name HD3 ))
      3.200     1.300     1.300 peak   128 spectrum    1 weight  0.10000E+01 volume  0.76424E-03 ppm1      8.534 ppm2      3.047 CV     1
 OR {  128}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 46   and name HB3 ))
 OR {  128}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 50   and name HD2 ))
 OR {  128}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 58   and name HB3 ))
 OR {  128}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 39   and name HB2 ))
 OR {  128}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 14   and name HB2 ))
 OR {  128}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 14   and name HB3 ))
 OR {  128}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 64   and name HB3 ))
 OR {  128}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 1    and name HB2 ))
 OR {  128}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 24   and name HD3 ))
 OR {  128}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 65   and name HB3 ))
 OR {  128}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 67   and name HB3 ))
 OR {  128}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 70   and name HD2 ))
 OR {  128}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 70   and name HD3 ))
 OR {  128}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 73   and name HB2 ))
 OR {  128}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 81   and name HB2 ))
 OR {  128}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 85   and name HD3 ))
 OR {  128}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 85   and name HD2 ))
 ASSI {  129}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 50   and name HB2 ))
      2.800     1.000     1.000 peak   129 spectrum    1 weight  0.10000E+01 volume  0.50658E-02 ppm1      8.532 ppm2      1.819 CV     1
 OR {  129}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 50   and name HB3 ))
 OR {  129}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 56   and name HB3 ))
 OR {  129}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 41   and name HG3 ))
 OR {  129}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 41   and name HB2 ))
 OR {  129}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 41   and name HB3 ))
 OR {  129}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 32   and name HB3 ))
 OR {  129}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 29   and name HB  ))
 OR {  129}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 15   and name HB3 ))
 OR {  129}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 5    and name HB3 ))
 OR {  129}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 16   and name HB2 ))
 OR {  129}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 28   and name HB3 ))
 OR {  129}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 4    and name HB2 ))
 OR {  129}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 27   and name HB  ))
 OR {  129}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 17   and name HB3 ))
 OR {  129}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 17   and name HG2 ))
 OR {  129}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 18   and name HG  ))
 OR {  129}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 24   and name HB3 ))
 OR {  129}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 24   and name HB2 ))
 OR {  129}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 24   and name HG2 ))
 OR {  129}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 68   and name HG2 ))
 OR {  129}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 68   and name HB2 ))
 OR {  129}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 70   and name HB3 ))
 OR {  129}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 77   and name HG2 ))
 OR {  129}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 77   and name HG3 ))
 OR {  129}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 77   and name HB2 ))
 OR {  129}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 85   and name HB3 ))
 OR {  129}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 86   and name HB3 ))
 ASSI {  130}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 52   and name HG13))
      5.300     3.500     0.700 peak   130 spectrum    1 weight  0.10000E+01 volume  0.36438E-03 ppm1      8.536 ppm2      0.814 CV     1
 OR {  130}
   (( segid "    " and resid 51   and name H   ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  130}
   (( segid "    " and resid 51   and name H   ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  130}
   (( segid "    " and resid 51   and name H   ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  130}
   (( segid "    " and resid 51   and name H   ))
   (  segid "    " and resid 13   and name HD1%)
 OR {  130}
   (( segid "    " and resid 51   and name H   ))
   (  segid "    " and resid 27   and name HG2%)
 OR {  130}
   (( segid "    " and resid 51   and name H   ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  130}
   (( segid "    " and resid 51   and name H   ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  130}
   (( segid "    " and resid 51   and name H   ))
   (  segid "    " and resid 3    and name HD1%)
 OR {  130}
   (( segid "    " and resid 51   and name H   ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  130}
   (( segid "    " and resid 51   and name H   ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  130}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {  130}
   (( segid "    " and resid 51   and name H   ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  130}
   (( segid "    " and resid 51   and name H   ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  130}
   (( segid "    " and resid 51   and name H   ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  130}
   (( segid "    " and resid 51   and name H   ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  130}
   (( segid "    " and resid 51   and name H   ))
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  131}
   (( segid "    " and resid 51   and name H   ))
   (  segid "    " and resid 52   and name HG2%)
      4.700     2.700     1.300 peak   131 spectrum    1 weight  0.10000E+01 volume  0.64358E-03 ppm1      8.532 ppm2      0.678 CV     1
 OR {  131}
   (( segid "    " and resid 51   and name H   ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  131}
   (( segid "    " and resid 51   and name H   ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  131}
   (( segid "    " and resid 51   and name H   ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  131}
   (( segid "    " and resid 51   and name H   ))
   (  segid "    " and resid 31   and name HD1%)
 OR {  131}
   (( segid "    " and resid 51   and name H   ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  131}
   (( segid "    " and resid 51   and name H   ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  131}
   (( segid "    " and resid 51   and name H   ))
   (  segid "    " and resid 26   and name HG2%)
 OR {  131}
   (( segid "    " and resid 51   and name H   ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  131}
   (( segid "    " and resid 51   and name H   ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  131}
   (( segid "    " and resid 51   and name H   ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  131}
   (( segid "    " and resid 51   and name H   ))
   (  segid "    " and resid 22   and name HD2%)
 OR {  131}
   (( segid "    " and resid 51   and name H   ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  131}
   (( segid "    " and resid 51   and name H   ))
   (  segid "    " and resid 79   and name HD1%)
 OR {  131}
   (( segid "    " and resid 51   and name H   ))
   (  segid "    " and resid 79   and name HD2%)
 ASSI {  132}
   (( segid "    " and resid 51   and name H   ))
   (  segid "    " and resid 52   and name HD1%)
      4.800     2.800     1.200 peak   132 spectrum    1 weight  0.10000E+01 volume  0.41170E-03 ppm1      8.532 ppm2      0.414 CV     1
 OR {  132}
   (( segid "    " and resid 51   and name H   ))
   (  segid "    " and resid 44   and name HG1%)
 OR {  132}
   (( segid "    " and resid 51   and name H   ))
   (  segid "    " and resid 31   and name HD2%)
 OR {  132}
   (( segid "    " and resid 51   and name H   ))
   (  segid "    " and resid 61   and name HD2%)
 OR {  132}
   (( segid "    " and resid 51   and name H   ))
   (  segid "    " and resid 61   and name HD1%)
 ASSI {  134}
   (( segid "    " and resid 50   and name H   ))
   (( segid "    " and resid 47   and name HA  ))
      3.700     1.700     1.700 peak   134 spectrum    1 weight  0.10000E+01 volume  0.13558E-02 ppm1      7.241 ppm2      4.816 CV     1
 OR {  134}
   (( segid "    " and resid 50   and name H   ))
   (( segid "    " and resid 54   and name HA  ))
 OR {  134}
   (( segid "    " and resid 50   and name H   ))
   (( segid "    " and resid 46   and name HA  ))
 OR {  134}
   (( segid "    " and resid 50   and name H   ))
   (( segid "    " and resid 30   and name HA  ))
 ASSI {  135}
   (( segid "    " and resid 50   and name H   ))
   (( segid "    " and resid 51   and name HB2 ))
      4.900     3.000     1.100 peak   135 spectrum    1 weight  0.10000E+01 volume  0.27446E-03 ppm1      7.239 ppm2      3.382 CV     1
 OR {  135}
   (( segid "    " and resid 50   and name H   ))
   (( segid "    " and resid 51   and name HB3 ))
 OR {  135}
   (( segid "    " and resid 50   and name H   ))
   (( segid "    " and resid 39   and name HB3 ))
 ASSI {  136}
   (( segid "    " and resid 50   and name H   ))
   (( segid "    " and resid 50   and name HD3 ))
      4.900     3.000     1.100 peak   136 spectrum    1 weight  0.10000E+01 volume  0.83759E-03 ppm1      7.241 ppm2      3.048 CV     1
 OR {  136}
   (( segid "    " and resid 50   and name H   ))
   (( segid "    " and resid 50   and name HD2 ))
 OR {  136}
   (( segid "    " and resid 50   and name H   ))
   (( segid "    " and resid 46   and name HB3 ))
 OR {  136}
   (( segid "    " and resid 50   and name H   ))
   (( segid "    " and resid 58   and name HB3 ))
 OR {  136}
   (( segid "    " and resid 50   and name H   ))
   (( segid "    " and resid 39   and name HB2 ))
 OR {  136}
   (( segid "    " and resid 50   and name H   ))
   (( segid "    " and resid 14   and name HB2 ))
 OR {  136}
   (( segid "    " and resid 50   and name H   ))
   (( segid "    " and resid 14   and name HB3 ))
 OR {  136}
   (( segid "    " and resid 50   and name H   ))
   (( segid "    " and resid 64   and name HB3 ))
 OR {  136}
   (( segid "    " and resid 50   and name H   ))
   (( segid "    " and resid 65   and name HB3 ))
 OR {  136}
   (( segid "    " and resid 50   and name H   ))
   (( segid "    " and resid 1    and name HB2 ))
 OR {  136}
   (( segid "    " and resid 50   and name H   ))
   (( segid "    " and resid 24   and name HD3 ))
 OR {  136}
   (( segid "    " and resid 50   and name H   ))
   (( segid "    " and resid 67   and name HB3 ))
 OR {  136}
   (( segid "    " and resid 50   and name H   ))
   (( segid "    " and resid 70   and name HD2 ))
 OR {  136}
   (( segid "    " and resid 50   and name H   ))
   (( segid "    " and resid 70   and name HD3 ))
 OR {  136}
   (( segid "    " and resid 50   and name H   ))
   (( segid "    " and resid 73   and name HB2 ))
 OR {  136}
   (( segid "    " and resid 50   and name H   ))
   (( segid "    " and resid 81   and name HB2 ))
 OR {  136}
   (( segid "    " and resid 50   and name H   ))
   (( segid "    " and resid 85   and name HD3 ))
 OR {  136}
   (( segid "    " and resid 50   and name H   ))
   (( segid "    " and resid 85   and name HD2 ))
 ASSI {  137}
   (( segid "    " and resid 50   and name H   ))
   (( segid "    " and resid 49   and name HG2 ))
      3.100     1.200     1.200 peak   137 spectrum    1 weight  0.10000E+01 volume  0.18810E-02 ppm1      7.241 ppm2      2.251 CV     1
 OR {  137}
   (( segid "    " and resid 50   and name H   ))
   (( segid "    " and resid 49   and name HG3 ))
 OR {  137}
   (( segid "    " and resid 50   and name H   ))
   (( segid "    " and resid 49   and name HB2 ))
 OR {  137}
   (( segid "    " and resid 50   and name H   ))
   (( segid "    " and resid 54   and name HB  ))
 OR {  137}
   (( segid "    " and resid 50   and name H   ))
   (( segid "    " and resid 41   and name HG2 ))
 OR {  137}
   (( segid "    " and resid 50   and name H   ))
   (( segid "    " and resid 12   and name HG2 ))
 OR {  137}
   (( segid "    " and resid 50   and name H   ))
   (( segid "    " and resid 12   and name HG3 ))
 OR {  137}
   (( segid "    " and resid 50   and name H   ))
   (( segid "    " and resid 33   and name HG2 ))
 OR {  137}
   (( segid "    " and resid 50   and name H   ))
   (( segid "    " and resid 32   and name HG2 ))
 OR {  137}
   (( segid "    " and resid 50   and name H   ))
   (( segid "    " and resid 5    and name HB2 ))
 OR {  137}
   (( segid "    " and resid 50   and name H   ))
   (( segid "    " and resid 30   and name HG2 ))
 OR {  137}
   (( segid "    " and resid 50   and name H   ))
   (( segid "    " and resid 4    and name HB3 ))
 OR {  137}
   (( segid "    " and resid 50   and name H   ))
   (( segid "    " and resid 28   and name HG2 ))
 OR {  137}
   (( segid "    " and resid 50   and name H   ))
   (( segid "    " and resid 63   and name HG3 ))
 OR {  137}
   (( segid "    " and resid 50   and name H   ))
   (( segid "    " and resid 63   and name HG2 ))
 OR {  137}
   (( segid "    " and resid 50   and name H   ))
   (( segid "    " and resid 17   and name HB2 ))
 OR {  137}
   (( segid "    " and resid 50   and name H   ))
   (( segid "    " and resid 66   and name HG3 ))
 OR {  137}
   (( segid "    " and resid 50   and name H   ))
   (( segid "    " and resid 69   and name HG3 ))
 ASSI {  138}
   (( segid "    " and resid 50   and name H   ))
   (  segid "    " and resid 47   and name HD2%)
      3.400     1.400     1.400 peak   138 spectrum    1 weight  0.10000E+01 volume  0.19450E-02 ppm1      7.242 ppm2      0.694 CV     1
 OR {  138}
   (( segid "    " and resid 50   and name H   ))
   (  segid "    " and resid 52   and name HG2%)
 OR {  138}
   (( segid "    " and resid 50   and name H   ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  138}
   (( segid "    " and resid 50   and name H   ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  138}
   (( segid "    " and resid 50   and name H   ))
   (  segid "    " and resid 31   and name HD1%)
 OR {  138}
   (( segid "    " and resid 50   and name H   ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  138}
   (( segid "    " and resid 50   and name H   ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  138}
   (( segid "    " and resid 50   and name H   ))
   (  segid "    " and resid 26   and name HG2%)
 OR {  138}
   (( segid "    " and resid 50   and name H   ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  138}
   (( segid "    " and resid 50   and name H   ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  138}
   (( segid "    " and resid 50   and name H   ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  138}
   (( segid "    " and resid 50   and name H   ))
   (  segid "    " and resid 22   and name HD2%)
 OR {  138}
   (( segid "    " and resid 50   and name H   ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  138}
   (( segid "    " and resid 50   and name H   ))
   (  segid "    " and resid 79   and name HD1%)
 OR {  138}
   (( segid "    " and resid 50   and name H   ))
   (  segid "    " and resid 79   and name HD2%)
 ASSI {  139}
   (( segid "    " and resid 50   and name H   ))
   (  segid "    " and resid 54   and name HD1%)
      5.300     3.500     0.700 peak   139 spectrum    1 weight  0.10000E+01 volume  0.24370E-03 ppm1      7.247 ppm2      0.829 CV     1
 OR {  139}
   (( segid "    " and resid 50   and name H   ))
   (( segid "    " and resid 52   and name HG13))
 OR {  139}
   (( segid "    " and resid 50   and name H   ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  139}
   (( segid "    " and resid 50   and name H   ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  139}
   (( segid "    " and resid 50   and name H   ))
   (  segid "    " and resid 13   and name HD1%)
 OR {  139}
   (( segid "    " and resid 50   and name H   ))
   (  segid "    " and resid 27   and name HG2%)
 OR {  139}
   (( segid "    " and resid 50   and name H   ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  139}
   (( segid "    " and resid 50   and name H   ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  139}
   (( segid "    " and resid 50   and name H   ))
   (  segid "    " and resid 3    and name HD1%)
 OR {  139}
   (( segid "    " and resid 50   and name H   ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  139}
   (( segid "    " and resid 50   and name H   ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  139}
   (( segid "    " and resid 50   and name H   ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {  139}
   (( segid "    " and resid 50   and name H   ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  139}
   (( segid "    " and resid 50   and name H   ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  139}
   (( segid "    " and resid 50   and name H   ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  139}
   (( segid "    " and resid 50   and name H   ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  139}
   (( segid "    " and resid 50   and name H   ))
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  140}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 50   and name HA  ))
      3.900     1.900     1.900 peak   140 spectrum    1 weight  0.10000E+01 volume  0.45192E-03 ppm1      8.415 ppm2      4.634 CV     1
 OR {  140}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 58   and name HA  ))
 OR {  140}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 41   and name HA  ))
 OR {  140}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 38   and name HA  ))
 OR {  140}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 39   and name HA  ))
 OR {  140}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 35   and name HA  ))
 OR {  140}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 4    and name HA  ))
 OR {  140}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 28   and name HA  ))
 OR {  140}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 73   and name HA  ))
 OR {  140}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 80   and name HA  ))
 ASSI {  141}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 46   and name HB3 ))
      4.600     2.700     1.400 peak   141 spectrum    1 weight  0.10000E+01 volume  0.24370E-03 ppm1      8.413 ppm2      3.034 CV     1
 OR {  141}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 50   and name HD3 ))
 OR {  141}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 50   and name HD2 ))
 OR {  141}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 58   and name HB3 ))
 OR {  141}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 14   and name HB2 ))
 OR {  141}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 14   and name HB3 ))
 OR {  141}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 64   and name HB3 ))
 OR {  141}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 65   and name HB3 ))
 OR {  141}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 1    and name HB2 ))
 OR {  141}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 24   and name HD3 ))
 OR {  141}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 67   and name HB3 ))
 OR {  141}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 70   and name HD2 ))
 OR {  141}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 70   and name HD3 ))
 OR {  141}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 81   and name HB2 ))
 OR {  141}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 85   and name HD3 ))
 OR {  141}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 85   and name HD2 ))
 ASSI {  142}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 49   and name HB2 ))
      3.000     1.100     1.100 peak   142 spectrum    1 weight  0.10000E+01 volume  0.38709E-02 ppm1      8.414 ppm2      2.256 CV     1
 OR {  142}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 54   and name HB  ))
 OR {  142}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 49   and name HG2 ))
 OR {  142}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 49   and name HG3 ))
 OR {  142}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 56   and name HD3 ))
 OR {  142}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 41   and name HG2 ))
 OR {  142}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 12   and name HG2 ))
 OR {  142}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 12   and name HG3 ))
 OR {  142}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 33   and name HG2 ))
 OR {  142}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 32   and name HG2 ))
 OR {  142}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 5    and name HB2 ))
 OR {  142}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 30   and name HG2 ))
 OR {  142}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 4    and name HB3 ))
 OR {  142}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 28   and name HG2 ))
 OR {  142}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 63   and name HG3 ))
 OR {  142}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 63   and name HG2 ))
 OR {  142}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 17   and name HB2 ))
 OR {  142}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 66   and name HG3 ))
 OR {  142}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 69   and name HG3 ))
 ASSI {  143}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 56   and name HG3 ))
      3.200     1.300     1.300 peak   143 spectrum    1 weight  0.10000E+01 volume  0.12824E-02 ppm1      8.415 ppm2      1.712 CV     1
 OR {  143}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {  143}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 33   and name HB3 ))
 OR {  143}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 29   and name HB  ))
 OR {  143}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 16   and name HB2 ))
 OR {  143}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 17   and name HB3 ))
 OR {  143}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 18   and name HG  ))
 OR {  143}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 25   and name HD3 ))
 OR {  143}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 24   and name HB3 ))
 OR {  143}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 24   and name HG2 ))
 OR {  143}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 24   and name HG3 ))
 OR {  143}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 21   and name HB3 ))
 OR {  143}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 21   and name HB2 ))
 OR {  143}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 68   and name HB3 ))
 OR {  143}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 68   and name HG3 ))
 OR {  143}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 70   and name HB2 ))
 OR {  143}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 70   and name HB3 ))
 OR {  143}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 71   and name HB2 ))
 OR {  143}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 71   and name HB3 ))
 OR {  143}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 77   and name HB2 ))
 OR {  143}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 78   and name HB3 ))
 OR {  143}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 78   and name HB2 ))
 OR {  143}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 85   and name HB3 ))
 OR {  143}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 85   and name HB2 ))
 OR {  143}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 86   and name HB2 ))
 OR {  143}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 86   and name HB3 ))
 ASSI {  144}
   (( segid "    " and resid 49   and name H   ))
   (  segid "    " and resid 54   and name HG2%)
      3.900     1.900     1.900 peak   144 spectrum    1 weight  0.10000E+01 volume  0.22951E-03 ppm1      8.417 ppm2      1.237 CV     1
 OR {  144}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 54   and name HG12))
 OR {  144}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 54   and name HG13))
 OR {  144}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 50   and name HG3 ))
 OR {  144}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 52   and name HG12))
 OR {  144}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 45   and name HB2 ))
 OR {  144}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 40   and name HB3 ))
 OR {  144}
   (( segid "    " and resid 49   and name H   ))
   (  segid "    " and resid 8    and name HB% )
 OR {  144}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 40   and name HG  ))
 OR {  144}
   (( segid "    " and resid 49   and name H   ))
   (  segid "    " and resid 34   and name HB% )
 OR {  144}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 61   and name HG  ))
 OR {  144}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 31   and name HB3 ))
 OR {  144}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 16   and name HB3 ))
 OR {  144}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 16   and name HG3 ))
 OR {  144}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 16   and name HG2 ))
 OR {  144}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 18   and name HB3 ))
 OR {  144}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 21   and name HG3 ))
 OR {  144}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 71   and name HG2 ))
 OR {  144}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 79   and name HB3 ))
 ASSI {  145}
   (( segid "    " and resid 49   and name H   ))
   (  segid "    " and resid 47   and name HD2%)
      4.700     2.800     1.300 peak   145 spectrum    1 weight  0.10000E+01 volume  0.95353E-03 ppm1      8.414 ppm2      0.708 CV     1
 OR {  145}
   (( segid "    " and resid 49   and name H   ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  145}
   (( segid "    " and resid 49   and name H   ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  145}
   (( segid "    " and resid 49   and name H   ))
   (  segid "    " and resid 52   and name HG2%)
 OR {  145}
   (( segid "    " and resid 49   and name H   ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  145}
   (( segid "    " and resid 49   and name H   ))
   (  segid "    " and resid 31   and name HD1%)
 OR {  145}
   (( segid "    " and resid 49   and name H   ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  145}
   (( segid "    " and resid 49   and name H   ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  145}
   (( segid "    " and resid 49   and name H   ))
   (  segid "    " and resid 26   and name HG2%)
 OR {  145}
   (( segid "    " and resid 49   and name H   ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  145}
   (( segid "    " and resid 49   and name H   ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  145}
   (( segid "    " and resid 49   and name H   ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  145}
   (( segid "    " and resid 49   and name H   ))
   (  segid "    " and resid 22   and name HD2%)
 OR {  145}
   (( segid "    " and resid 49   and name H   ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  145}
   (( segid "    " and resid 49   and name H   ))
   (  segid "    " and resid 79   and name HD1%)
 OR {  145}
   (( segid "    " and resid 49   and name H   ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  145}
   (( segid "    " and resid 49   and name H   ))
   (  segid "    " and resid 84   and name HD2%)
 ASSI {  146}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 47   and name HG  ))
      5.500     3.800     0.500 peak   146 spectrum    1 weight  0.10000E+01 volume  0.39277E-03 ppm1      8.414 ppm2      1.532 CV     1
 OR {  146}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 50   and name HG2 ))
 OR {  146}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 45   and name HG  ))
 OR {  146}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 52   and name HB  ))
 OR {  146}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 13   and name HG  ))
 OR {  146}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 61   and name HB3 ))
 OR {  146}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 15   and name HG2 ))
 OR {  146}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {  146}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 3    and name HB3 ))
 OR {  146}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {  146}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 3    and name HB2 ))
 OR {  146}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 3    and name HG  ))
 OR {  146}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 27   and name HG12))
 OR {  146}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 2    and name HB3 ))
 OR {  146}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 2    and name HB2 ))
 OR {  146}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 18   and name HB2 ))
 OR {  146}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 2    and name HG  ))
 OR {  146}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {  146}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {  146}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {  146}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 22   and name HB3 ))
 OR {  146}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 21   and name HD2 ))
 OR {  146}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 21   and name HD3 ))
 OR {  146}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 70   and name HG3 ))
 OR {  146}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 70   and name HG2 ))
 OR {  146}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {  146}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {  146}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 72   and name HB3 ))
 OR {  146}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 76   and name HB2 ))
 OR {  146}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 76   and name HB3 ))
 OR {  146}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 76   and name HG  ))
 OR {  146}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 84   and name HB2 ))
 OR {  146}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 84   and name HB3 ))
 OR {  146}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 84   and name HG  ))
 OR {  146}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {  146}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 85   and name HG3 ))
 ASSI {  147}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 49   and name HA  ))
      5.000     3.100     1.000 peak   147 spectrum    1 weight  0.10000E+01 volume  0.28630E-03 ppm1      8.841 ppm2      4.450 CV     1
 OR {  147}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 52   and name HA  ))
 OR {  147}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 44   and name HA  ))
 OR {  147}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 57   and name HA  ))
 OR {  147}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 9    and name HA  ))
 OR {  147}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 40   and name HA  ))
 OR {  147}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 59   and name HA  ))
 OR {  147}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 12   and name HA  ))
 OR {  147}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 6    and name HA  ))
 OR {  147}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 31   and name HA  ))
 OR {  147}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 32   and name HA  ))
 OR {  147}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 17   and name HA  ))
 OR {  147}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 18   and name HA  ))
 OR {  147}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 67   and name HA  ))
 OR {  147}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 81   and name HA  ))
 OR {  147}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 87   and name HA  ))
 ASSI {  148}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 56   and name HD2 ))
      4.900     3.000     1.100 peak   148 spectrum    1 weight  0.10000E+01 volume  0.43535E-03 ppm1      8.838 ppm2      3.664 CV     1
 OR {  148}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 53   and name HB3 ))
 OR {  148}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 59   and name HD2 ))
 OR {  148}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 60   and name HB2 ))
 OR {  148}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 5    and name HD2 ))
 OR {  148}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 17   and name HD3 ))
 OR {  148}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 26   and name HA  ))
 OR {  148}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 23   and name HA  ))
 OR {  148}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 88   and name HA2 ))
 OR {  148}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 88   and name HA3 ))
 ASSI {  149}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 46   and name HB3 ))
      4.500     2.500     1.500 peak   149 spectrum    1 weight  0.10000E+01 volume  0.21058E-03 ppm1      8.845 ppm2      3.054 CV     1
 OR {  149}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 50   and name HD3 ))
 OR {  149}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 50   and name HD2 ))
 OR {  149}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 58   and name HB3 ))
 OR {  149}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 39   and name HB2 ))
 OR {  149}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 14   and name HB2 ))
 OR {  149}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 14   and name HB3 ))
 OR {  149}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 64   and name HB3 ))
 OR {  149}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 65   and name HB3 ))
 OR {  149}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 1    and name HB3 ))
 OR {  149}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 1    and name HB2 ))
 OR {  149}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 24   and name HD3 ))
 OR {  149}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 67   and name HB3 ))
 OR {  149}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 70   and name HD2 ))
 OR {  149}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 70   and name HD3 ))
 OR {  149}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 73   and name HB2 ))
 OR {  149}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 81   and name HB2 ))
 OR {  149}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 85   and name HD3 ))
 OR {  149}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 85   and name HD2 ))
 ASSI {  150}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 54   and name HB  ))
      4.300     2.400     1.700 peak   150 spectrum    1 weight  0.10000E+01 volume  0.45428E-03 ppm1      8.841 ppm2      2.257 CV     1
 OR {  150}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 49   and name HB2 ))
 OR {  150}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 49   and name HG3 ))
 OR {  150}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 49   and name HG2 ))
 OR {  150}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 56   and name HD3 ))
 OR {  150}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 41   and name HG2 ))
 OR {  150}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 12   and name HG2 ))
 OR {  150}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 12   and name HG3 ))
 OR {  150}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 33   and name HG2 ))
 OR {  150}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 5    and name HB2 ))
 OR {  150}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 32   and name HG2 ))
 OR {  150}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 30   and name HG2 ))
 OR {  150}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 4    and name HB3 ))
 OR {  150}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 28   and name HG2 ))
 OR {  150}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 63   and name HG3 ))
 OR {  150}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 63   and name HG2 ))
 OR {  150}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 66   and name HG3 ))
 OR {  150}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 69   and name HG3 ))
 ASSI {  151}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 56   and name HB2 ))
      5.100     3.200     0.900 peak   151 spectrum    1 weight  0.10000E+01 volume  0.38803E-03 ppm1      8.844 ppm2      2.028 CV     1
 OR {  151}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 57   and name HB3 ))
 OR {  151}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 59   and name HG3 ))
 OR {  151}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 59   and name HG2 ))
 OR {  151}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 12   and name HB3 ))
 OR {  151}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 59   and name HB2 ))
 OR {  151}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 33   and name HG3 ))
 OR {  151}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 33   and name HB2 ))
 OR {  151}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 30   and name HB2 ))
 OR {  151}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 63   and name HB2 ))
 OR {  151}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {  151}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 28   and name HB2 ))
 OR {  151}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {  151}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 17   and name HG3 ))
 OR {  151}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 25   and name HB3 ))
 OR {  151}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 25   and name HB2 ))
 OR {  151}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 66   and name HB3 ))
 OR {  151}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 69   and name HB3 ))
 OR {  151}
   (( segid "    " and resid 48   and name H   ))
   (  segid "    " and resid 83   and name HE% )
 OR {  151}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 83   and name HB3 ))
 OR {  151}
   (( segid "    " and resid 48   and name H   ))
   (  segid "    " and resid 87   and name HE% )
 OR {  151}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 87   and name HB2 ))
 ASSI {  152}
   (( segid "    " and resid 48   and name H   ))
   (  segid "    " and resid 42   and name HB% )
      2.700     0.900     0.900 peak   152 spectrum    1 weight  0.10000E+01 volume  0.45665E-03 ppm1      8.843 ppm2      1.050 CV     1
 OR {  152}
   (( segid "    " and resid 48   and name H   ))
   (  segid "    " and resid 11   and name HG2%)
 OR {  152}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 27   and name HG13))
 ASSI {  153}
   (( segid "    " and resid 48   and name H   ))
   (  segid "    " and resid 47   and name HD2%)
      3.500     1.500     1.500 peak   153 spectrum    1 weight  0.10000E+01 volume  0.31965E-02 ppm1      8.840 ppm2      0.714 CV     1
 OR {  153}
   (( segid "    " and resid 48   and name H   ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  153}
   (( segid "    " and resid 48   and name H   ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  153}
   (( segid "    " and resid 48   and name H   ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  153}
   (( segid "    " and resid 48   and name H   ))
   (  segid "    " and resid 52   and name HG2%)
 OR {  153}
   (( segid "    " and resid 48   and name H   ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  153}
   (( segid "    " and resid 48   and name H   ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  153}
   (( segid "    " and resid 48   and name H   ))
   (  segid "    " and resid 31   and name HD1%)
 OR {  153}
   (( segid "    " and resid 48   and name H   ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  153}
   (( segid "    " and resid 48   and name H   ))
   (  segid "    " and resid 26   and name HG2%)
 OR {  153}
   (( segid "    " and resid 48   and name H   ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  153}
   (( segid "    " and resid 48   and name H   ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  153}
   (( segid "    " and resid 48   and name H   ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  153}
   (( segid "    " and resid 48   and name H   ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  153}
   (( segid "    " and resid 48   and name H   ))
   (  segid "    " and resid 22   and name HD2%)
 OR {  153}
   (( segid "    " and resid 48   and name H   ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  153}
   (( segid "    " and resid 48   and name H   ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  153}
   (( segid "    " and resid 48   and name H   ))
   (  segid "    " and resid 79   and name HD1%)
 OR {  153}
   (( segid "    " and resid 48   and name H   ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  153}
   (( segid "    " and resid 48   and name H   ))
   (  segid "    " and resid 84   and name HD2%)
 ASSI {  154}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 46   and name HA  ))
      2.300     0.700     0.700 peak   154 spectrum    1 weight  0.10000E+01 volume  0.87781E-02 ppm1      8.734 ppm2      4.809 CV     1
 OR {  154}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 47   and name HA  ))
 OR {  154}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 54   and name HA  ))
 OR {  154}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 30   and name HA  ))
 ASSI {  155}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 53   and name HB3 ))
      4.400     2.500     1.600 peak   155 spectrum    1 weight  0.10000E+01 volume  0.32178E-03 ppm1      8.736 ppm2      3.669 CV     1
 OR {  155}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 56   and name HD2 ))
 OR {  155}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 59   and name HD2 ))
 OR {  155}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 60   and name HB2 ))
 OR {  155}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 5    and name HD2 ))
 OR {  155}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 17   and name HD3 ))
 OR {  155}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 26   and name HA  ))
 OR {  155}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 23   and name HA  ))
 OR {  155}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 88   and name HA2 ))
 OR {  155}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 88   and name HA3 ))
 ASSI {  156}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 51   and name HB2 ))
      3.800     1.800     1.800 peak   156 spectrum    1 weight  0.10000E+01 volume  0.96536E-03 ppm1      8.733 ppm2      3.386 CV     1
 OR {  156}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 51   and name HB3 ))
 OR {  156}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 39   and name HB3 ))
 ASSI {  157}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 45   and name HB2 ))
      5.300     3.600     0.700 peak   157 spectrum    1 weight  0.10000E+01 volume  0.37857E-03 ppm1      8.733 ppm2      1.249 CV     1
 OR {  157}
   (( segid "    " and resid 47   and name H   ))
   (  segid "    " and resid 54   and name HG2%)
 OR {  157}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 54   and name HG12))
 OR {  157}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 54   and name HG13))
 OR {  157}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 52   and name HG12))
 OR {  157}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 50   and name HG3 ))
 OR {  157}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 40   and name HB3 ))
 OR {  157}
   (( segid "    " and resid 47   and name H   ))
   (  segid "    " and resid 8    and name HB% )
 OR {  157}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 40   and name HG  ))
 OR {  157}
   (( segid "    " and resid 47   and name H   ))
   (  segid "    " and resid 34   and name HB% )
 OR {  157}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 31   and name HB3 ))
 OR {  157}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 61   and name HG  ))
 OR {  157}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 16   and name HB3 ))
 OR {  157}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 16   and name HG3 ))
 OR {  157}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 16   and name HG2 ))
 OR {  157}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 18   and name HB3 ))
 OR {  157}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 21   and name HG3 ))
 OR {  157}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 71   and name HG2 ))
 OR {  157}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 79   and name HB3 ))
 ASSI {  158}
   (( segid "    " and resid 47   and name H   ))
   (  segid "    " and resid 44   and name HG1%)
      3.900     1.900     1.900 peak   158 spectrum    1 weight  0.10000E+01 volume  0.25317E-03 ppm1      8.732 ppm2      0.453 CV     1
 OR {  158}
   (( segid "    " and resid 47   and name H   ))
   (  segid "    " and resid 52   and name HD1%)
 OR {  158}
   (( segid "    " and resid 47   and name H   ))
   (  segid "    " and resid 61   and name HD1%)
 OR {  158}
   (( segid "    " and resid 47   and name H   ))
   (  segid "    " and resid 29   and name HG2%)
 OR {  158}
   (( segid "    " and resid 47   and name H   ))
   (  segid "    " and resid 23   and name HD1%)
 ASSI {  159}
   (( segid "    " and resid 47   and name H   ))
   (  segid "    " and resid 54   and name HD1%)
      5.200     3.400     0.800 peak   159 spectrum    1 weight  0.10000E+01 volume  0.32652E-03 ppm1      8.736 ppm2      0.843 CV     1
 OR {  159}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 52   and name HG13))
 OR {  159}
   (( segid "    " and resid 47   and name H   ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  159}
   (( segid "    " and resid 47   and name H   ))
   (  segid "    " and resid 13   and name HD1%)
 OR {  159}
   (( segid "    " and resid 47   and name H   ))
   (  segid "    " and resid 27   and name HG2%)
 OR {  159}
   (( segid "    " and resid 47   and name H   ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  159}
   (( segid "    " and resid 47   and name H   ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  159}
   (( segid "    " and resid 47   and name H   ))
   (  segid "    " and resid 3    and name HD1%)
 OR {  159}
   (( segid "    " and resid 47   and name H   ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  159}
   (( segid "    " and resid 47   and name H   ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  159}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {  159}
   (( segid "    " and resid 47   and name H   ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  159}
   (( segid "    " and resid 47   and name H   ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  159}
   (( segid "    " and resid 47   and name H   ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  159}
   (( segid "    " and resid 47   and name H   ))
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  160}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 49   and name HE22))
      3.900     1.900     1.900 peak   160 spectrum    1 weight  0.10000E+01 volume  0.12374E-02 ppm1      8.919 ppm2      6.775 CV     1
 OR {  160}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 12   and name HE21))
 OR {  160}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 63   and name HE22))
 OR {  160}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 64   and name HD1 ))
 OR {  160}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 68   and name HE22))
 OR {  160}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 80   and name HD22))
 ASSI {  161}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 50   and name HA  ))
      5.600     3.900     0.400 peak   161 spectrum    1 weight  0.10000E+01 volume  0.25080E-03 ppm1      8.918 ppm2      4.691 CV     1
 OR {  161}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 41   and name HA  ))
 OR {  161}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 38   and name HA  ))
 OR {  161}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 35   and name HA  ))
 OR {  161}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 39   and name HA  ))
 OR {  161}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 58   and name HA  ))
 OR {  161}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 28   and name HA  ))
 OR {  161}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 80   and name HA  ))
 ASSI {  162}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 53   and name HB3 ))
      5.200     3.300     0.800 peak   162 spectrum    1 weight  0.10000E+01 volume  0.22477E-03 ppm1      8.922 ppm2      3.656 CV     1
 OR {  162}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 56   and name HD2 ))
 OR {  162}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 59   and name HD2 ))
 OR {  162}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 60   and name HB2 ))
 OR {  162}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 5    and name HD2 ))
 OR {  162}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 17   and name HD3 ))
 OR {  162}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 26   and name HA  ))
 OR {  162}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 23   and name HA  ))
 OR {  162}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 88   and name HA2 ))
 OR {  162}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 88   and name HA3 ))
 ASSI {  163}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 56   and name HB2 ))
      2.800     1.000     1.000 peak   163 spectrum    1 weight  0.10000E+01 volume  0.33362E-03 ppm1      8.920 ppm2      2.027 CV     1
 OR {  163}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 12   and name HB3 ))
 OR {  163}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 57   and name HB3 ))
 OR {  163}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 33   and name HG3 ))
 OR {  163}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 33   and name HB2 ))
 OR {  163}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 59   and name HG3 ))
 OR {  163}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 59   and name HG2 ))
 OR {  163}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 59   and name HB2 ))
 OR {  163}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 30   and name HB2 ))
 OR {  163}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 28   and name HB2 ))
 OR {  163}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {  163}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 17   and name HG3 ))
 OR {  163}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 25   and name HB3 ))
 OR {  163}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 63   and name HB2 ))
 OR {  163}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {  163}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 25   and name HB2 ))
 OR {  163}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 66   and name HB3 ))
 OR {  163}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 69   and name HB3 ))
 OR {  163}
   (( segid "    " and resid 46   and name H   ))
   (  segid "    " and resid 83   and name HE% )
 OR {  163}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 83   and name HB3 ))
 OR {  163}
   (( segid "    " and resid 46   and name H   ))
   (  segid "    " and resid 87   and name HE% )
 OR {  163}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 87   and name HB2 ))
 ASSI {  164}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 5    and name HB2 ))
      2.900     1.000     1.000 peak   164 spectrum    1 weight  0.10000E+01 volume  0.31469E-03 ppm1      8.917 ppm2      2.147 CV     1
 OR {  164}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 32   and name HG3 ))
 OR {  164}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 30   and name HB3 ))
 OR {  164}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 30   and name HG3 ))
 OR {  164}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 28   and name HG3 ))
 OR {  164}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 26   and name HB  ))
 OR {  164}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 17   and name HB2 ))
 OR {  164}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 66   and name HG2 ))
 OR {  164}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 69   and name HG2 ))
 OR {  164}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 77   and name HB3 ))
 ASSI {  165}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 50   and name HB2 ))
      4.400     2.400     1.600 peak   165 spectrum    1 weight  0.10000E+01 volume  0.66013E-03 ppm1      8.918 ppm2      1.821 CV     1
 OR {  165}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 50   and name HB3 ))
 OR {  165}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 56   and name HB3 ))
 OR {  165}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 41   and name HG3 ))
 OR {  165}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 41   and name HB3 ))
 OR {  165}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 41   and name HB2 ))
 OR {  165}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 29   and name HB  ))
 OR {  165}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 5    and name HB3 ))
 OR {  165}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 32   and name HB3 ))
 OR {  165}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 15   and name HB3 ))
 OR {  165}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 28   and name HB3 ))
 OR {  165}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 16   and name HB2 ))
 OR {  165}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 4    and name HB2 ))
 OR {  165}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 27   and name HB  ))
 OR {  165}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 17   and name HB3 ))
 OR {  165}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 17   and name HG2 ))
 OR {  165}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 18   and name HG  ))
 OR {  165}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 24   and name HB3 ))
 OR {  165}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 24   and name HB2 ))
 OR {  165}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 24   and name HG2 ))
 OR {  165}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 68   and name HG2 ))
 OR {  165}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 68   and name HB2 ))
 OR {  165}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 70   and name HB3 ))
 OR {  165}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 77   and name HG2 ))
 OR {  165}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 77   and name HG3 ))
 OR {  165}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 77   and name HB2 ))
 OR {  165}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 85   and name HB3 ))
 OR {  165}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 86   and name HB3 ))
 ASSI {  166}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 45   and name HB3 ))
      4.300     2.300     1.700 peak   166 spectrum    1 weight  0.10000E+01 volume  0.91567E-03 ppm1      8.917 ppm2      1.618 CV     1
 OR {  166}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 45   and name HG  ))
 OR {  166}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 56   and name HG3 ))
 OR {  166}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 33   and name HB3 ))
 OR {  166}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 13   and name HG  ))
 OR {  166}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 31   and name HB2 ))
 OR {  166}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {  166}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 3    and name HG  ))
 OR {  166}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {  166}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 25   and name HD3 ))
 OR {  166}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {  166}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {  166}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 22   and name HB3 ))
 OR {  166}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 21   and name HB3 ))
 OR {  166}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 21   and name HB2 ))
 OR {  166}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 21   and name HD2 ))
 OR {  166}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 21   and name HD3 ))
 OR {  166}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 68   and name HB3 ))
 OR {  166}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 70   and name HG2 ))
 OR {  166}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 71   and name HB2 ))
 OR {  166}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {  166}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {  166}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 76   and name HG  ))
 OR {  166}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 78   and name HB3 ))
 OR {  166}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 78   and name HD2 ))
 OR {  166}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 78   and name HD3 ))
 OR {  166}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 84   and name HB3 ))
 OR {  166}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 85   and name HB2 ))
 OR {  166}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 86   and name HD3 ))
 OR {  166}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 86   and name HD2 ))
 ASSI {  167}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 47   and name HG  ))
      5.500     3.800     0.500 peak   167 spectrum    1 weight  0.10000E+01 volume  0.22951E-03 ppm1      8.913 ppm2      1.494 CV     1
 OR {  167}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 52   and name HB  ))
 OR {  167}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 50   and name HG2 ))
 OR {  167}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 15   and name HB2 ))
 OR {  167}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 15   and name HG2 ))
 OR {  167}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 61   and name HB3 ))
 OR {  167}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 3    and name HB3 ))
 OR {  167}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {  167}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 3    and name HB2 ))
 OR {  167}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 27   and name HG12))
 OR {  167}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 2    and name HB3 ))
 OR {  167}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 18   and name HB2 ))
 OR {  167}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 2    and name HB2 ))
 OR {  167}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 2    and name HG  ))
 OR {  167}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 23   and name HB2 ))
 OR {  167}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 21   and name HG2 ))
 OR {  167}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 70   and name HG3 ))
 OR {  167}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 72   and name HB3 ))
 OR {  167}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 72   and name HG  ))
 OR {  167}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 76   and name HB2 ))
 OR {  167}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 76   and name HB3 ))
 OR {  167}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 79   and name HG  ))
 OR {  167}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 79   and name HB2 ))
 OR {  167}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 84   and name HB2 ))
 OR {  167}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 84   and name HG  ))
 OR {  167}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {  167}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 85   and name HG3 ))
 ASSI {  168}
   (( segid "    " and resid 46   and name H   ))
   (  segid "    " and resid 45   and name HD1%)
      2.800     1.000     1.000 peak   168 spectrum    1 weight  0.10000E+01 volume  0.13108E-02 ppm1      8.918 ppm2      0.591 CV     1
 OR {  168}
   (( segid "    " and resid 46   and name H   ))
   (  segid "    " and resid 45   and name HD2%)
 OR {  168}
   (( segid "    " and resid 46   and name H   ))
   (  segid "    " and resid 52   and name HG2%)
 OR {  168}
   (( segid "    " and resid 46   and name H   ))
   (  segid "    " and resid 13   and name HD2%)
 OR {  168}
   (( segid "    " and resid 46   and name H   ))
   (  segid "    " and resid 31   and name HD1%)
 OR {  168}
   (( segid "    " and resid 46   and name H   ))
   (  segid "    " and resid 22   and name HD2%)
 ASSI {  169}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 52   and name HG13))
      5.200     3.400     0.800 peak   169 spectrum    1 weight  0.10000E+01 volume  0.63411E-03 ppm1      8.917 ppm2      0.847 CV     1
 OR {  169}
   (( segid "    " and resid 46   and name H   ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  169}
   (( segid "    " and resid 46   and name H   ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  169}
   (( segid "    " and resid 46   and name H   ))
   (  segid "    " and resid 13   and name HD1%)
 OR {  169}
   (( segid "    " and resid 46   and name H   ))
   (  segid "    " and resid 27   and name HG2%)
 OR {  169}
   (( segid "    " and resid 46   and name H   ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  169}
   (( segid "    " and resid 46   and name H   ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  169}
   (( segid "    " and resid 46   and name H   ))
   (  segid "    " and resid 3    and name HD1%)
 OR {  169}
   (( segid "    " and resid 46   and name H   ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  169}
   (( segid "    " and resid 46   and name H   ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  169}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {  169}
   (( segid "    " and resid 46   and name H   ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  169}
   (( segid "    " and resid 46   and name H   ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  169}
   (( segid "    " and resid 46   and name H   ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  169}
   (( segid "    " and resid 46   and name H   ))
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  171}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 44   and name HA  ))
      2.400     0.700     0.700 peak   171 spectrum    1 weight  0.10000E+01 volume  0.51414E-02 ppm1      9.076 ppm2      4.508 CV     1
 OR {  171}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 45   and name HA  ))
 OR {  171}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 52   and name HA  ))
 OR {  171}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 49   and name HA  ))
 OR {  171}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 10   and name HA  ))
 OR {  171}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 9    and name HA  ))
 OR {  171}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 12   and name HA  ))
 OR {  171}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 57   and name HA  ))
 OR {  171}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 14   and name HA  ))
 OR {  171}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 32   and name HA  ))
 OR {  171}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 31   and name HA  ))
 OR {  171}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 4    and name HA  ))
 OR {  171}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 3    and name HA  ))
 OR {  171}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 17   and name HA  ))
 OR {  171}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 18   and name HA  ))
 OR {  171}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 67   and name HA  ))
 OR {  171}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 76   and name HA  ))
 OR {  171}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 87   and name HA  ))
 ASSI {  172}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 51   and name HB3 ))
      4.800     2.900     1.200 peak   172 spectrum    1 weight  0.10000E+01 volume  0.45428E-03 ppm1      9.078 ppm2      3.386 CV     1
 OR {  172}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 51   and name HB2 ))
 OR {  172}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 39   and name HB3 ))
 ASSI {  173}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 43   and name HB3 ))
      4.900     3.000     1.100 peak   173 spectrum    1 weight  0.10000E+01 volume  0.18691E-03 ppm1      9.075 ppm2      2.614 CV     1
 OR {  173}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 43   and name HB2 ))
 OR {  173}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 53   and name HB2 ))
 OR {  173}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 9    and name HB2 ))
 OR {  173}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 35   and name HB3 ))
 OR {  173}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 37   and name HB2 ))
 OR {  173}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 35   and name HB2 ))
 OR {  173}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 20   and name HB2 ))
 OR {  173}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 20   and name HB3 ))
 OR {  173}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 80   and name HB2 ))
 OR {  173}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 87   and name HG2 ))
 ASSI {  174}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 45   and name HG  ))
      2.500     0.800     0.800 peak   174 spectrum    1 weight  0.10000E+01 volume  0.28889E-02 ppm1      9.076 ppm2      1.615 CV     1
 OR {  174}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 45   and name HB3 ))
 OR {  174}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 33   and name HB3 ))
 OR {  174}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 13   and name HG  ))
 OR {  174}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 31   and name HB2 ))
 OR {  174}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {  174}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 3    and name HG  ))
 OR {  174}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {  174}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 25   and name HD3 ))
 OR {  174}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {  174}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {  174}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 22   and name HB3 ))
 OR {  174}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 21   and name HB3 ))
 OR {  174}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 21   and name HB2 ))
 OR {  174}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 21   and name HD2 ))
 OR {  174}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 21   and name HD3 ))
 OR {  174}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 68   and name HB3 ))
 OR {  174}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 70   and name HG2 ))
 OR {  174}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 71   and name HB2 ))
 OR {  174}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {  174}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {  174}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 76   and name HG  ))
 OR {  174}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 78   and name HB3 ))
 OR {  174}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 78   and name HD2 ))
 OR {  174}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 78   and name HD3 ))
 OR {  174}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 84   and name HB3 ))
 OR {  174}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 85   and name HB2 ))
 OR {  174}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 86   and name HD3 ))
 OR {  174}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 86   and name HD2 ))
 ASSI {  175}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 52   and name HB  ))
      4.000     2.000     2.000 peak   175 spectrum    1 weight  0.10000E+01 volume  0.63883E-03 ppm1      9.073 ppm2      1.494 CV     1
 OR {  175}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 47   and name HG  ))
 OR {  175}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 50   and name HG2 ))
 OR {  175}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 15   and name HB2 ))
 OR {  175}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 15   and name HG2 ))
 OR {  175}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 3    and name HB3 ))
 OR {  175}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {  175}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 3    and name HB2 ))
 OR {  175}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 27   and name HG12))
 OR {  175}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 2    and name HB3 ))
 OR {  175}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 61   and name HB3 ))
 OR {  175}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 2    and name HB2 ))
 OR {  175}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 18   and name HB2 ))
 OR {  175}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 2    and name HG  ))
 OR {  175}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 23   and name HB2 ))
 OR {  175}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 21   and name HG2 ))
 OR {  175}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 70   and name HG3 ))
 OR {  175}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 72   and name HB3 ))
 OR {  175}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 72   and name HG  ))
 OR {  175}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 76   and name HB2 ))
 OR {  175}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 76   and name HB3 ))
 OR {  175}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 79   and name HG  ))
 OR {  175}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 79   and name HB2 ))
 OR {  175}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 84   and name HB2 ))
 OR {  175}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 84   and name HG  ))
 OR {  175}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {  175}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 85   and name HG3 ))
 ASSI {  176}
   (( segid "    " and resid 45   and name H   ))
   (  segid "    " and resid 44   and name HG2%)
      3.100     1.200     1.200 peak   176 spectrum    1 weight  0.10000E+01 volume  0.15403E-02 ppm1      9.076 ppm2      0.781 CV     1
 OR {  176}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 52   and name HG13))
 OR {  176}
   (( segid "    " and resid 45   and name H   ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  176}
   (( segid "    " and resid 45   and name H   ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  176}
   (( segid "    " and resid 45   and name H   ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  176}
   (( segid "    " and resid 45   and name H   ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  176}
   (( segid "    " and resid 45   and name H   ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  176}
   (( segid "    " and resid 45   and name H   ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  176}
   (( segid "    " and resid 45   and name H   ))
   (  segid "    " and resid 3    and name HD1%)
 OR {  176}
   (( segid "    " and resid 45   and name H   ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  176}
   (( segid "    " and resid 45   and name H   ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  176}
   (( segid "    " and resid 45   and name H   ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  176}
   (( segid "    " and resid 45   and name H   ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  176}
   (( segid "    " and resid 45   and name H   ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  176}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {  176}
   (( segid "    " and resid 45   and name H   ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  176}
   (( segid "    " and resid 45   and name H   ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  176}
   (( segid "    " and resid 45   and name H   ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  176}
   (( segid "    " and resid 45   and name H   ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  176}
   (( segid "    " and resid 45   and name H   ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  176}
   (( segid "    " and resid 45   and name H   ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  176}
   (( segid "    " and resid 45   and name H   ))
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  177}
   (( segid "    " and resid 45   and name H   ))
   (  segid "    " and resid 45   and name HD1%)
      3.800     1.800     1.800 peak   177 spectrum    1 weight  0.10000E+01 volume  0.17958E-02 ppm1      9.075 ppm2      0.598 CV     1
 OR {  177}
   (( segid "    " and resid 45   and name H   ))
   (  segid "    " and resid 45   and name HD2%)
 OR {  177}
   (( segid "    " and resid 45   and name H   ))
   (  segid "    " and resid 52   and name HG2%)
 OR {  177}
   (( segid "    " and resid 45   and name H   ))
   (  segid "    " and resid 13   and name HD2%)
 OR {  177}
   (( segid "    " and resid 45   and name H   ))
   (  segid "    " and resid 31   and name HD1%)
 OR {  177}
   (( segid "    " and resid 45   and name H   ))
   (  segid "    " and resid 22   and name HD2%)
 ASSI {  178}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 46   and name HA  ))
      4.600     2.700     1.400 peak   178 spectrum    1 weight  0.10000E+01 volume  0.33598E-03 ppm1      9.536 ppm2      4.886 CV     1
 OR {  178}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 47   and name HA  ))
 OR {  178}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 30   and name HA  ))
 OR {  178}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 29   and name HA  ))
 ASSI {  179}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 44   and name HA  ))
      3.000     1.200     1.200 peak   179 spectrum    1 weight  0.10000E+01 volume  0.15711E-02 ppm1      9.539 ppm2      4.489 CV     1
 OR {  179}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 52   and name HA  ))
 OR {  179}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 9    and name HA  ))
 OR {  179}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 10   and name HA  ))
 OR {  179}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 49   and name HA  ))
 OR {  179}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 12   and name HA  ))
 OR {  179}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 14   and name HA  ))
 OR {  179}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 31   and name HA  ))
 OR {  179}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 32   and name HA  ))
 OR {  179}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 57   and name HA  ))
 OR {  179}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 3    and name HA  ))
 OR {  179}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 17   and name HA  ))
 OR {  179}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 18   and name HA  ))
 OR {  179}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 67   and name HA  ))
 OR {  179}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 76   and name HA  ))
 OR {  179}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 81   and name HA  ))
 OR {  179}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 87   and name HA  ))
 ASSI {  180}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 33   and name HG3 ))
      2.500     0.800     0.800 peak   180 spectrum    1 weight  0.10000E+01 volume  0.66959E-03 ppm1      9.539 ppm2      2.131 CV     1
 OR {  180}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 5    and name HB2 ))
 OR {  180}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 32   and name HG3 ))
 OR {  180}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 30   and name HB3 ))
 OR {  180}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 30   and name HG3 ))
 OR {  180}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 28   and name HG3 ))
 OR {  180}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 59   and name HG3 ))
 OR {  180}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 26   and name HB  ))
 OR {  180}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 17   and name HB2 ))
 OR {  180}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 66   and name HG2 ))
 OR {  180}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 69   and name HG2 ))
 OR {  180}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 77   and name HB3 ))
 OR {  180}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 87   and name HB2 ))
 ASSI {  181}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 45   and name HB3 ))
      4.500     2.500     1.500 peak   181 spectrum    1 weight  0.10000E+01 volume  0.25080E-03 ppm1      9.543 ppm2      1.615 CV     1
 OR {  181}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 45   and name HG  ))
 OR {  181}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 33   and name HB3 ))
 OR {  181}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 13   and name HG  ))
 OR {  181}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 31   and name HB2 ))
 OR {  181}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {  181}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 3    and name HG  ))
 OR {  181}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {  181}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 25   and name HD3 ))
 OR {  181}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {  181}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {  181}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 22   and name HB3 ))
 OR {  181}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 21   and name HB3 ))
 OR {  181}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 21   and name HB2 ))
 OR {  181}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 21   and name HD2 ))
 OR {  181}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 21   and name HD3 ))
 OR {  181}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 68   and name HB3 ))
 OR {  181}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 70   and name HG2 ))
 OR {  181}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 71   and name HB2 ))
 OR {  181}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {  181}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {  181}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 76   and name HG  ))
 OR {  181}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 78   and name HB3 ))
 OR {  181}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 78   and name HD2 ))
 OR {  181}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 78   and name HD3 ))
 OR {  181}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 84   and name HB3 ))
 OR {  181}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 85   and name HB2 ))
 OR {  181}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 86   and name HD3 ))
 OR {  181}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 86   and name HD2 ))
 ASSI {  182}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 41   and name HB3 ))
      3.900     1.900     1.900 peak   182 spectrum    1 weight  0.10000E+01 volume  0.21769E-03 ppm1      9.534 ppm2      1.790 CV     1
 OR {  182}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 41   and name HB2 ))
 OR {  182}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {  182}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 50   and name HB2 ))
 OR {  182}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 56   and name HB3 ))
 OR {  182}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 29   and name HB  ))
 OR {  182}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 5    and name HB3 ))
 OR {  182}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 32   and name HB3 ))
 OR {  182}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 15   and name HB3 ))
 OR {  182}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 28   and name HB3 ))
 OR {  182}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 16   and name HB2 ))
 OR {  182}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 4    and name HB2 ))
 OR {  182}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 27   and name HB  ))
 OR {  182}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 17   and name HB3 ))
 OR {  182}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 18   and name HG  ))
 OR {  182}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 24   and name HB3 ))
 OR {  182}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 24   and name HG2 ))
 OR {  182}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 68   and name HG3 ))
 OR {  182}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 70   and name HB3 ))
 OR {  182}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 71   and name HB3 ))
 OR {  182}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 77   and name HB2 ))
 OR {  182}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 78   and name HB2 ))
 OR {  182}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 85   and name HB3 ))
 OR {  182}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 86   and name HB3 ))
 ASSI {  183}
   (( segid "    " and resid 44   and name H   ))
   (  segid "    " and resid 42   and name HB% )
      2.900     1.100     1.100 peak   183 spectrum    1 weight  0.10000E+01 volume  0.28392E-03 ppm1      9.539 ppm2      1.070 CV     1
 OR {  183}
   (( segid "    " and resid 44   and name H   ))
   (  segid "    " and resid 11   and name HG2%)
 OR {  183}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 13   and name HB2 ))
 OR {  183}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 31   and name HG  ))
 OR {  183}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 27   and name HG13))
 OR {  183}
   (( segid "    " and resid 44   and name H   ))
   (  segid "    " and resid 75   and name HG2%)
 ASSI {  184}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 45   and name HB2 ))
      5.100     3.300     0.900 peak   184 spectrum    1 weight  0.10000E+01 volume  0.22951E-03 ppm1      9.538 ppm2      1.237 CV     1
 OR {  184}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 52   and name HG12))
 OR {  184}
   (( segid "    " and resid 44   and name H   ))
   (  segid "    " and resid 54   and name HG2%)
 OR {  184}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 40   and name HB3 ))
 OR {  184}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 54   and name HG12))
 OR {  184}
   (( segid "    " and resid 44   and name H   ))
   (  segid "    " and resid 8    and name HB% )
 OR {  184}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 40   and name HG  ))
 OR {  184}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 54   and name HG13))
 OR {  184}
   (( segid "    " and resid 44   and name H   ))
   (  segid "    " and resid 34   and name HB% )
 OR {  184}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 50   and name HG3 ))
 OR {  184}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 31   and name HB3 ))
 OR {  184}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 16   and name HB3 ))
 OR {  184}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 16   and name HG3 ))
 OR {  184}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 16   and name HG2 ))
 OR {  184}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 18   and name HB3 ))
 OR {  184}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 61   and name HG  ))
 OR {  184}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 21   and name HG3 ))
 OR {  184}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 71   and name HG2 ))
 OR {  184}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 79   and name HB3 ))
 ASSI {  185}
   (( segid "    " and resid 44   and name H   ))
   (  segid "    " and resid 45   and name HD2%)
      4.400     2.500     1.600 peak   185 spectrum    1 weight  0.10000E+01 volume  0.36202E-03 ppm1      9.543 ppm2      0.590 CV     1
 OR {  185}
   (( segid "    " and resid 44   and name H   ))
   (  segid "    " and resid 45   and name HD1%)
 OR {  185}
   (( segid "    " and resid 44   and name H   ))
   (  segid "    " and resid 52   and name HG2%)
 OR {  185}
   (( segid "    " and resid 44   and name H   ))
   (  segid "    " and resid 13   and name HD2%)
 OR {  185}
   (( segid "    " and resid 44   and name H   ))
   (  segid "    " and resid 31   and name HD1%)
 OR {  185}
   (( segid "    " and resid 44   and name H   ))
   (  segid "    " and resid 22   and name HD2%)
 ASSI {  186}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 44   and name HA  ))
      5.000     3.200     1.000 peak   186 spectrum    1 weight  0.10000E+01 volume  0.30049E-03 ppm1      8.379 ppm2      4.487 CV     1
 OR {  186}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 9    and name HA  ))
 OR {  186}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 10   and name HA  ))
 OR {  186}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 52   and name HA  ))
 OR {  186}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 12   and name HA  ))
 OR {  186}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 49   and name HA  ))
 OR {  186}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 14   and name HA  ))
 OR {  186}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 31   and name HA  ))
 OR {  186}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 32   and name HA  ))
 OR {  186}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 3    and name HA  ))
 OR {  186}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 17   and name HA  ))
 OR {  186}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 57   and name HA  ))
 OR {  186}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 18   and name HA  ))
 OR {  186}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 67   and name HA  ))
 OR {  186}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 76   and name HA  ))
 OR {  186}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 81   and name HA  ))
 OR {  186}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 87   and name HA  ))
 ASSI {  187}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 42   and name HA  ))
      2.800     1.000     1.000 peak   187 spectrum    1 weight  0.10000E+01 volume  0.24441E-02 ppm1      8.377 ppm2      4.372 CV     1
 OR {  187}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 40   and name HA  ))
 OR {  187}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 13   and name HA  ))
 OR {  187}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 6    and name HA  ))
 OR {  187}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 33   and name HA  ))
 OR {  187}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 55   and name HA  ))
 OR {  187}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 5    and name HA  ))
 OR {  187}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 15   and name HA  ))
 OR {  187}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 56   and name HA  ))
 OR {  187}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 16   and name HA  ))
 OR {  187}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 2    and name HA  ))
 OR {  187}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 18   and name HA  ))
 OR {  187}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 25   and name HA  ))
 OR {  187}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 19   and name HA  ))
 OR {  187}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 59   and name HA  ))
 OR {  187}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 60   and name HA  ))
 OR {  187}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 75   and name HA  ))
 OR {  187}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 77   and name HA  ))
 OR {  187}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 81   and name HA  ))
 OR {  187}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 83   and name HA  ))
 ASSI {  188}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 53   and name HB3 ))
      2.800     1.000     1.000 peak   188 spectrum    1 weight  0.10000E+01 volume  0.32416E-03 ppm1      8.380 ppm2      3.643 CV     1
 OR {  188}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 5    and name HD2 ))
 OR {  188}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 56   and name HD2 ))
 OR {  188}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 17   and name HD3 ))
 OR {  188}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 26   and name HA  ))
 OR {  188}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 59   and name HD2 ))
 OR {  188}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 23   and name HA  ))
 OR {  188}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 60   and name HB2 ))
 OR {  188}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 88   and name HA2 ))
 OR {  188}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 88   and name HA3 ))
 ASSI {  189}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 12   and name HG2 ))
      3.000     1.200     1.200 peak   189 spectrum    1 weight  0.10000E+01 volume  0.37857E-03 ppm1      8.384 ppm2      2.214 CV     1
 OR {  189}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 12   and name HG3 ))
 OR {  189}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 54   and name HB  ))
 OR {  189}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 49   and name HB2 ))
 OR {  189}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 33   and name HG2 ))
 OR {  189}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 49   and name HG3 ))
 OR {  189}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 49   and name HG2 ))
 OR {  189}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 5    and name HB2 ))
 OR {  189}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 32   and name HG2 ))
 OR {  189}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 30   and name HG2 ))
 OR {  189}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 28   and name HG3 ))
 OR {  189}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 4    and name HB3 ))
 OR {  189}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 26   and name HB  ))
 OR {  189}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 17   and name HB2 ))
 OR {  189}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 63   and name HG3 ))
 OR {  189}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 63   and name HG2 ))
 OR {  189}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 66   and name HG3 ))
 OR {  189}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 69   and name HG2 ))
 OR {  189}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 69   and name HG3 ))
 OR {  189}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 77   and name HB3 ))
 ASSI {  190}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 45   and name HB3 ))
      5.300     3.500     0.700 peak   190 spectrum    1 weight  0.10000E+01 volume  0.20584E-03 ppm1      8.384 ppm2      1.632 CV     1
 OR {  190}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 45   and name HG  ))
 OR {  190}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 33   and name HB3 ))
 OR {  190}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 13   and name HG  ))
 OR {  190}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 31   and name HB2 ))
 OR {  190}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 56   and name HG3 ))
 OR {  190}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {  190}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 3    and name HG  ))
 OR {  190}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {  190}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 25   and name HD3 ))
 OR {  190}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {  190}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 24   and name HG3 ))
 OR {  190}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {  190}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 22   and name HB3 ))
 OR {  190}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 21   and name HB3 ))
 OR {  190}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 21   and name HB2 ))
 OR {  190}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 21   and name HD2 ))
 OR {  190}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 21   and name HD3 ))
 OR {  190}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 68   and name HB3 ))
 OR {  190}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 70   and name HG2 ))
 OR {  190}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 71   and name HB2 ))
 OR {  190}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {  190}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {  190}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 76   and name HG  ))
 OR {  190}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 78   and name HB3 ))
 OR {  190}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 78   and name HD2 ))
 OR {  190}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 78   and name HD3 ))
 OR {  190}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 84   and name HB3 ))
 OR {  190}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 85   and name HB2 ))
 OR {  190}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 86   and name HB2 ))
 OR {  190}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 86   and name HD3 ))
 OR {  190}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 86   and name HD2 ))
 ASSI {  191}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 40   and name HB2 ))
      3.000     1.100     1.100 peak   191 spectrum    1 weight  0.10000E+01 volume  0.23898E-03 ppm1      8.377 ppm2      1.376 CV     1
 OR {  191}
   (( segid "    " and resid 43   and name H   ))
   (  segid "    " and resid 48   and name HB% )
 OR {  191}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 15   and name HB2 ))
 OR {  191}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 15   and name HG3 ))
 OR {  191}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 56   and name HG2 ))
 OR {  191}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 25   and name HG2 ))
 OR {  191}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 23   and name HG  ))
 OR {  191}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 22   and name HG  ))
 OR {  191}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 61   and name HB2 ))
 OR {  191}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 21   and name HG2 ))
 OR {  191}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 71   and name HG3 ))
 OR {  191}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 72   and name HB2 ))
 OR {  191}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 72   and name HG  ))
 OR {  191}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 78   and name HG2 ))
 OR {  191}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 78   and name HG3 ))
 OR {  191}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 79   and name HG  ))
 OR {  191}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 79   and name HB2 ))
 OR {  191}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 86   and name HG2 ))
 OR {  191}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 86   and name HG3 ))
 ASSI {  192}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 52   and name HG12))
      4.900     3.100     1.100 peak   192 spectrum    1 weight  0.10000E+01 volume  0.30523E-03 ppm1      8.375 ppm2      1.239 CV     1
 OR {  192}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 40   and name HB3 ))
 OR {  192}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 45   and name HB2 ))
 OR {  192}
   (( segid "    " and resid 43   and name H   ))
   (  segid "    " and resid 8    and name HB% )
 OR {  192}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 40   and name HG  ))
 OR {  192}
   (( segid "    " and resid 43   and name H   ))
   (  segid "    " and resid 34   and name HB% )
 OR {  192}
   (( segid "    " and resid 43   and name H   ))
   (  segid "    " and resid 54   and name HG2%)
 OR {  192}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 54   and name HG12))
 OR {  192}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 54   and name HG13))
 OR {  192}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 31   and name HB3 ))
 OR {  192}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 50   and name HG3 ))
 OR {  192}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 16   and name HB3 ))
 OR {  192}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 16   and name HG3 ))
 OR {  192}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 16   and name HG2 ))
 OR {  192}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 18   and name HB3 ))
 OR {  192}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 21   and name HG3 ))
 OR {  192}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 61   and name HG  ))
 OR {  192}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 71   and name HG2 ))
 OR {  192}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 79   and name HB3 ))
 ASSI {  193}
   (( segid "    " and resid 43   and name H   ))
   (  segid "    " and resid 44   and name HG2%)
      4.900     3.000     1.100 peak   193 spectrum    1 weight  0.10000E+01 volume  0.40460E-03 ppm1      8.378 ppm2      0.777 CV     1
 OR {  193}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 52   and name HG13))
 OR {  193}
   (( segid "    " and resid 43   and name H   ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  193}
   (( segid "    " and resid 43   and name H   ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  193}
   (( segid "    " and resid 43   and name H   ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  193}
   (( segid "    " and resid 43   and name H   ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  193}
   (( segid "    " and resid 43   and name H   ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  193}
   (( segid "    " and resid 43   and name H   ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  193}
   (( segid "    " and resid 43   and name H   ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  193}
   (( segid "    " and resid 43   and name H   ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  193}
   (( segid "    " and resid 43   and name H   ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  193}
   (( segid "    " and resid 43   and name H   ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  193}
   (( segid "    " and resid 43   and name H   ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  193}
   (( segid "    " and resid 43   and name H   ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  193}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {  193}
   (( segid "    " and resid 43   and name H   ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  193}
   (( segid "    " and resid 43   and name H   ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  193}
   (( segid "    " and resid 43   and name H   ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  193}
   (( segid "    " and resid 43   and name H   ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  193}
   (( segid "    " and resid 43   and name H   ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  193}
   (( segid "    " and resid 43   and name H   ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  193}
   (( segid "    " and resid 43   and name H   ))
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  194}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 40   and name HA  ))
      4.100     2.100     1.900 peak   194 spectrum    1 weight  0.10000E+01 volume  0.62701E-03 ppm1      8.688 ppm2      4.484 CV     1
 OR {  194}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 9    and name HA  ))
 OR {  194}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 44   and name HA  ))
 OR {  194}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 10   and name HA  ))
 OR {  194}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 12   and name HA  ))
 OR {  194}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 52   and name HA  ))
 OR {  194}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 14   and name HA  ))
 OR {  194}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 49   and name HA  ))
 OR {  194}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 31   and name HA  ))
 OR {  194}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 32   and name HA  ))
 OR {  194}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 3    and name HA  ))
 OR {  194}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 17   and name HA  ))
 OR {  194}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 57   and name HA  ))
 OR {  194}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 18   and name HA  ))
 OR {  194}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 59   and name HA  ))
 OR {  194}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 67   and name HA  ))
 OR {  194}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 76   and name HA  ))
 OR {  194}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 81   and name HA  ))
 OR {  194}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 87   and name HA  ))
 ASSI {  195}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 12   and name HB3 ))
      3.100     1.200     1.200 peak   195 spectrum    1 weight  0.10000E+01 volume  0.18929E-03 ppm1      8.692 ppm2      2.013 CV     1
 OR {  195}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 33   and name HB2 ))
 OR {  195}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 33   and name HG3 ))
 OR {  195}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 30   and name HB2 ))
 OR {  195}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 4    and name HG3 ))
 OR {  195}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 56   and name HB2 ))
 OR {  195}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 28   and name HB2 ))
 OR {  195}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {  195}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 17   and name HG3 ))
 OR {  195}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 57   and name HB3 ))
 OR {  195}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 25   and name HB3 ))
 OR {  195}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 25   and name HB2 ))
 OR {  195}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 59   and name HG3 ))
 OR {  195}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 59   and name HG2 ))
 OR {  195}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 59   and name HB2 ))
 OR {  195}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 63   and name HB2 ))
 OR {  195}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {  195}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 66   and name HB3 ))
 OR {  195}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 69   and name HB3 ))
 OR {  195}
   (( segid "    " and resid 42   and name H   ))
   (  segid "    " and resid 83   and name HE% )
 OR {  195}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 83   and name HB3 ))
 OR {  195}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 83   and name HB2 ))
 OR {  195}
   (( segid "    " and resid 42   and name H   ))
   (  segid "    " and resid 87   and name HE% )
 OR {  195}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 87   and name HB2 ))
 ASSI {  196}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 33   and name HG3 ))
      2.600     0.900     0.900 peak   196 spectrum    1 weight  0.10000E+01 volume  0.50871E-03 ppm1      8.689 ppm2      2.107 CV     1
 OR {  196}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 30   and name HB3 ))
 OR {  196}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 32   and name HG3 ))
 OR {  196}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 30   and name HG3 ))
 OR {  196}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 28   and name HG3 ))
 OR {  196}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 56   and name HB2 ))
 OR {  196}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 28   and name HB2 ))
 OR {  196}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 17   and name HG3 ))
 OR {  196}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 26   and name HB  ))
 OR {  196}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 25   and name HB3 ))
 OR {  196}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 59   and name HG3 ))
 OR {  196}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 66   and name HG2 ))
 OR {  196}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 69   and name HG2 ))
 OR {  196}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 77   and name HB3 ))
 OR {  196}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 87   and name HB2 ))
 ASSI {  197}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 40   and name HB2 ))
      2.900     1.000     1.000 peak   197 spectrum    1 weight  0.10000E+01 volume  0.30523E-03 ppm1      8.688 ppm2      1.370 CV     1
 OR {  197}
   (( segid "    " and resid 42   and name H   ))
   (  segid "    " and resid 8    and name HB% )
 OR {  197}
   (( segid "    " and resid 42   and name H   ))
   (  segid "    " and resid 48   and name HB% )
 OR {  197}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 15   and name HB2 ))
 OR {  197}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 15   and name HG3 ))
 OR {  197}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 56   and name HG2 ))
 OR {  197}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 25   and name HG2 ))
 OR {  197}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 23   and name HG  ))
 OR {  197}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 22   and name HG  ))
 OR {  197}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 61   and name HB2 ))
 OR {  197}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 21   and name HG2 ))
 OR {  197}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 71   and name HG3 ))
 OR {  197}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 72   and name HB2 ))
 OR {  197}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 72   and name HG  ))
 OR {  197}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 78   and name HG2 ))
 OR {  197}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 78   and name HG3 ))
 OR {  197}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 79   and name HG  ))
 OR {  197}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 79   and name HB2 ))
 OR {  197}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 86   and name HG2 ))
 OR {  197}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 86   and name HG3 ))
 ASSI {  198}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 40   and name HB3 ))
      2.800     1.000     1.000 peak   198 spectrum    1 weight  0.10000E+01 volume  0.49214E-03 ppm1      8.689 ppm2      1.194 CV     1
 OR {  198}
   (( segid "    " and resid 42   and name H   ))
   (  segid "    " and resid 7    and name HG2%)
 OR {  198}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 52   and name HG12))
 OR {  198}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 13   and name HB2 ))
 OR {  198}
   (( segid "    " and resid 42   and name H   ))
   (  segid "    " and resid 54   and name HG2%)
 OR {  198}
   (( segid "    " and resid 42   and name H   ))
   (  segid "    " and resid 34   and name HB% )
 OR {  198}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 31   and name HB3 ))
 OR {  198}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 31   and name HG  ))
 OR {  198}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 50   and name HG3 ))
 OR {  198}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 16   and name HB3 ))
 OR {  198}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 16   and name HG3 ))
 OR {  198}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 16   and name HG2 ))
 OR {  198}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 61   and name HG  ))
 OR {  198}
   (( segid "    " and resid 42   and name H   ))
   (  segid "    " and resid 75   and name HG2%)
 OR {  198}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 79   and name HB3 ))
 ASSI {  199}
   (( segid "    " and resid 42   and name H   ))
   (  segid "    " and resid 40   and name HD2%)
      3.600     1.600     1.600 peak   199 spectrum    1 weight  0.10000E+01 volume  0.45902E-03 ppm1      8.690 ppm2      0.775 CV     1
 OR {  199}
   (( segid "    " and resid 42   and name H   ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  199}
   (( segid "    " and resid 42   and name H   ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  199}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 52   and name HG13))
 OR {  199}
   (( segid "    " and resid 42   and name H   ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  199}
   (( segid "    " and resid 42   and name H   ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  199}
   (( segid "    " and resid 42   and name H   ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  199}
   (( segid "    " and resid 42   and name H   ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  199}
   (( segid "    " and resid 42   and name H   ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  199}
   (( segid "    " and resid 42   and name H   ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  199}
   (( segid "    " and resid 42   and name H   ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  199}
   (( segid "    " and resid 42   and name H   ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  199}
   (( segid "    " and resid 42   and name H   ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  199}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {  199}
   (( segid "    " and resid 42   and name H   ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  199}
   (( segid "    " and resid 42   and name H   ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  199}
   (( segid "    " and resid 42   and name H   ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  199}
   (( segid "    " and resid 42   and name H   ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  199}
   (( segid "    " and resid 42   and name H   ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  199}
   (( segid "    " and resid 42   and name H   ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  199}
   (( segid "    " and resid 42   and name H   ))
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  200}
   (( segid "    " and resid 42   and name H   ))
   (  segid "    " and resid 44   and name HG1%)
      4.100     2.100     1.900 peak   200 spectrum    1 weight  0.10000E+01 volume  0.53710E-03 ppm1      8.691 ppm2      0.346 CV     1
 OR {  200}
   (( segid "    " and resid 42   and name H   ))
   (  segid "    " and resid 31   and name HD2%)
 OR {  200}
   (( segid "    " and resid 42   and name H   ))
   (  segid "    " and resid 61   and name HD2%)
 ASSI {  201}
   (( segid "    " and resid 41   and name H   ))
   (( segid "    " and resid 6    and name HB2 ))
      3.000     1.100     1.100 peak   201 spectrum    1 weight  0.10000E+01 volume  0.23424E-03 ppm1      8.472 ppm2      3.822 CV     1
 OR {  201}
   (( segid "    " and resid 41   and name H   ))
   (( segid "    " and resid 6    and name HB3 ))
 OR {  201}
   (( segid "    " and resid 41   and name H   ))
   (( segid "    " and resid 36   and name HA2 ))
 OR {  201}
   (( segid "    " and resid 41   and name H   ))
   (( segid "    " and resid 34   and name HA  ))
 OR {  201}
   (( segid "    " and resid 41   and name H   ))
   (( segid "    " and resid 4    and name HD3 ))
 OR {  201}
   (( segid "    " and resid 41   and name H   ))
   (( segid "    " and resid 19   and name HB3 ))
 OR {  201}
   (( segid "    " and resid 41   and name H   ))
   (( segid "    " and resid 21   and name HA  ))
 OR {  201}
   (( segid "    " and resid 41   and name H   ))
   (( segid "    " and resid 82   and name HA2 ))
 OR {  201}
   (( segid "    " and resid 41   and name H   ))
   (( segid "    " and resid 82   and name HA3 ))
 ASSI {  202}
   (( segid "    " and resid 41   and name H   ))
   (( segid "    " and resid 41   and name HB2 ))
      3.200     1.300     1.300 peak   202 spectrum    1 weight  0.10000E+01 volume  0.20726E-02 ppm1      8.471 ppm2      1.794 CV     1
 OR {  202}
   (( segid "    " and resid 41   and name H   ))
   (( segid "    " and resid 41   and name HB3 ))
 OR {  202}
   (( segid "    " and resid 41   and name H   ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {  202}
   (( segid "    " and resid 41   and name H   ))
   (( segid "    " and resid 5    and name HB3 ))
 OR {  202}
   (( segid "    " and resid 41   and name H   ))
   (( segid "    " and resid 29   and name HB  ))
 OR {  202}
   (( segid "    " and resid 41   and name H   ))
   (( segid "    " and resid 15   and name HB3 ))
 OR {  202}
   (( segid "    " and resid 41   and name H   ))
   (( segid "    " and resid 50   and name HB2 ))
 OR {  202}
   (( segid "    " and resid 41   and name H   ))
   (( segid "    " and resid 4    and name HB2 ))
 OR {  202}
   (( segid "    " and resid 41   and name H   ))
   (( segid "    " and resid 16   and name HB2 ))
 OR {  202}
   (( segid "    " and resid 41   and name H   ))
   (( segid "    " and resid 28   and name HB3 ))
 OR {  202}
   (( segid "    " and resid 41   and name H   ))
   (( segid "    " and resid 56   and name HB3 ))
 OR {  202}
   (( segid "    " and resid 41   and name H   ))
   (( segid "    " and resid 32   and name HB3 ))
 OR {  202}
   (( segid "    " and resid 41   and name H   ))
   (( segid "    " and resid 27   and name HB  ))
 OR {  202}
   (( segid "    " and resid 41   and name H   ))
   (( segid "    " and resid 17   and name HB3 ))
 OR {  202}
   (( segid "    " and resid 41   and name H   ))
   (( segid "    " and resid 18   and name HG  ))
 OR {  202}
   (( segid "    " and resid 41   and name H   ))
   (( segid "    " and resid 24   and name HB3 ))
 OR {  202}
   (( segid "    " and resid 41   and name H   ))
   (( segid "    " and resid 24   and name HG2 ))
 OR {  202}
   (( segid "    " and resid 41   and name H   ))
   (( segid "    " and resid 68   and name HG3 ))
 OR {  202}
   (( segid "    " and resid 41   and name H   ))
   (( segid "    " and resid 70   and name HB3 ))
 OR {  202}
   (( segid "    " and resid 41   and name H   ))
   (( segid "    " and resid 77   and name HB2 ))
 OR {  202}
   (( segid "    " and resid 41   and name H   ))
   (( segid "    " and resid 85   and name HB3 ))
 OR {  202}
   (( segid "    " and resid 41   and name H   ))
   (( segid "    " and resid 86   and name HB3 ))
 ASSI {  203}
   (( segid "    " and resid 41   and name H   ))
   (( segid "    " and resid 40   and name HB3 ))
      3.100     1.200     1.200 peak   203 spectrum    1 weight  0.10000E+01 volume  0.11736E-02 ppm1      8.472 ppm2      1.196 CV     1
 OR {  203}
   (( segid "    " and resid 41   and name H   ))
   (  segid "    " and resid 7    and name HG2%)
 OR {  203}
   (( segid "    " and resid 41   and name H   ))
   (( segid "    " and resid 52   and name HG12))
 OR {  203}
   (( segid "    " and resid 41   and name H   ))
   (  segid "    " and resid 54   and name HG2%)
 OR {  203}
   (( segid "    " and resid 41   and name H   ))
   (  segid "    " and resid 34   and name HB% )
 OR {  203}
   (( segid "    " and resid 41   and name H   ))
   (( segid "    " and resid 31   and name HB3 ))
 OR {  203}
   (( segid "    " and resid 41   and name H   ))
   (( segid "    " and resid 31   and name HG  ))
 OR {  203}
   (( segid "    " and resid 41   and name H   ))
   (( segid "    " and resid 50   and name HG3 ))
 OR {  203}
   (( segid "    " and resid 41   and name H   ))
   (( segid "    " and resid 16   and name HB3 ))
 OR {  203}
   (( segid "    " and resid 41   and name H   ))
   (( segid "    " and resid 16   and name HG3 ))
 OR {  203}
   (( segid "    " and resid 41   and name H   ))
   (( segid "    " and resid 16   and name HG2 ))
 OR {  203}
   (( segid "    " and resid 41   and name H   ))
   (( segid "    " and resid 61   and name HG  ))
 OR {  203}
   (( segid "    " and resid 41   and name H   ))
   (  segid "    " and resid 75   and name HG2%)
 OR {  203}
   (( segid "    " and resid 41   and name H   ))
   (( segid "    " and resid 79   and name HB3 ))
 ASSI {  204}
   (( segid "    " and resid 41   and name H   ))
   (  segid "    " and resid 40   and name HD2%)
      4.200     2.200     1.800 peak   204 spectrum    1 weight  0.10000E+01 volume  0.76424E-03 ppm1      8.471 ppm2      0.776 CV     1
 OR {  204}
   (( segid "    " and resid 41   and name H   ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  204}
   (( segid "    " and resid 41   and name H   ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  204}
   (( segid "    " and resid 41   and name H   ))
   (( segid "    " and resid 52   and name HG13))
 OR {  204}
   (( segid "    " and resid 41   and name H   ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  204}
   (( segid "    " and resid 41   and name H   ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  204}
   (( segid "    " and resid 41   and name H   ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  204}
   (( segid "    " and resid 41   and name H   ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  204}
   (( segid "    " and resid 41   and name H   ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  204}
   (( segid "    " and resid 41   and name H   ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  204}
   (( segid "    " and resid 41   and name H   ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  204}
   (( segid "    " and resid 41   and name H   ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  204}
   (( segid "    " and resid 41   and name H   ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  204}
   (( segid "    " and resid 41   and name H   ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  204}
   (( segid "    " and resid 41   and name H   ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {  204}
   (( segid "    " and resid 41   and name H   ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  204}
   (( segid "    " and resid 41   and name H   ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  204}
   (( segid "    " and resid 41   and name H   ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  204}
   (( segid "    " and resid 41   and name H   ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  204}
   (( segid "    " and resid 41   and name H   ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  204}
   (( segid "    " and resid 41   and name H   ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  204}
   (( segid "    " and resid 41   and name H   ))
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  205}
   (( segid "    " and resid 40   and name H   ))
   (( segid "    " and resid 6    and name HB2 ))
      3.100     1.200     1.200 peak   205 spectrum    1 weight  0.10000E+01 volume  0.18691E-03 ppm1      7.023 ppm2      3.830 CV     1
 OR {  205}
   (( segid "    " and resid 40   and name H   ))
   (( segid "    " and resid 6    and name HB3 ))
 OR {  205}
   (( segid "    " and resid 40   and name H   ))
   (( segid "    " and resid 34   and name HA  ))
 OR {  205}
   (( segid "    " and resid 40   and name H   ))
   (( segid "    " and resid 4    and name HD3 ))
 OR {  205}
   (( segid "    " and resid 40   and name H   ))
   (( segid "    " and resid 19   and name HB3 ))
 OR {  205}
   (( segid "    " and resid 40   and name H   ))
   (( segid "    " and resid 21   and name HA  ))
 OR {  205}
   (( segid "    " and resid 40   and name H   ))
   (( segid "    " and resid 82   and name HA2 ))
 OR {  205}
   (( segid "    " and resid 40   and name H   ))
   (( segid "    " and resid 82   and name HA3 ))
 ASSI {  206}
   (( segid "    " and resid 40   and name H   ))
   (( segid "    " and resid 9    and name HB3 ))
      4.700     2.800     1.300 peak   206 spectrum    1 weight  0.10000E+01 volume  0.18455E-03 ppm1      7.020 ppm2      2.902 CV     1
 OR {  206}
   (( segid "    " and resid 40   and name H   ))
   (( segid "    " and resid 38   and name HB2 ))
 OR {  206}
   (( segid "    " and resid 40   and name H   ))
   (( segid "    " and resid 15   and name HD3 ))
 OR {  206}
   (( segid "    " and resid 40   and name H   ))
   (( segid "    " and resid 16   and name HE2 ))
 OR {  206}
   (( segid "    " and resid 40   and name H   ))
   (( segid "    " and resid 16   and name HE3 ))
 OR {  206}
   (( segid "    " and resid 40   and name H   ))
   (( segid "    " and resid 55   and name HB2 ))
 OR {  206}
   (( segid "    " and resid 40   and name H   ))
   (( segid "    " and resid 25   and name HE2 ))
 OR {  206}
   (( segid "    " and resid 40   and name H   ))
   (( segid "    " and resid 25   and name HE3 ))
 OR {  206}
   (( segid "    " and resid 40   and name H   ))
   (( segid "    " and resid 21   and name HE3 ))
 OR {  206}
   (( segid "    " and resid 40   and name H   ))
   (( segid "    " and resid 21   and name HE2 ))
 OR {  206}
   (( segid "    " and resid 40   and name H   ))
   (( segid "    " and resid 71   and name HE2 ))
 OR {  206}
   (( segid "    " and resid 40   and name H   ))
   (( segid "    " and resid 71   and name HE3 ))
 OR {  206}
   (( segid "    " and resid 40   and name H   ))
   (( segid "    " and resid 78   and name HE3 ))
 OR {  206}
   (( segid "    " and resid 40   and name H   ))
   (( segid "    " and resid 78   and name HE2 ))
 OR {  206}
   (( segid "    " and resid 40   and name H   ))
   (( segid "    " and resid 81   and name HB3 ))
 OR {  206}
   (( segid "    " and resid 40   and name H   ))
   (( segid "    " and resid 86   and name HE2 ))
 OR {  206}
   (( segid "    " and resid 40   and name H   ))
   (( segid "    " and resid 86   and name HE3 ))
 ASSI {  207}
   (( segid "    " and resid 39   and name H   ))
   (( segid "    " and resid 38   and name HA  ))
      2.900     1.000     1.000 peak   207 spectrum    1 weight  0.10000E+01 volume  0.18762E-02 ppm1      7.984 ppm2      4.630 CV     1
 OR {  207}
   (( segid "    " and resid 39   and name H   ))
   (( segid "    " and resid 39   and name HA  ))
 OR {  207}
   (( segid "    " and resid 39   and name H   ))
   (( segid "    " and resid 41   and name HA  ))
 OR {  207}
   (( segid "    " and resid 39   and name H   ))
   (( segid "    " and resid 35   and name HA  ))
 OR {  207}
   (( segid "    " and resid 39   and name H   ))
   (( segid "    " and resid 4    and name HA  ))
 OR {  207}
   (( segid "    " and resid 39   and name H   ))
   (( segid "    " and resid 45   and name HA  ))
 OR {  207}
   (( segid "    " and resid 39   and name H   ))
   (( segid "    " and resid 28   and name HA  ))
 OR {  207}
   (( segid "    " and resid 39   and name H   ))
   (( segid "    " and resid 50   and name HA  ))
 OR {  207}
   (( segid "    " and resid 39   and name H   ))
   (( segid "    " and resid 58   and name HA  ))
 OR {  207}
   (( segid "    " and resid 39   and name H   ))
   (( segid "    " and resid 73   and name HA  ))
 OR {  207}
   (( segid "    " and resid 39   and name H   ))
   (( segid "    " and resid 80   and name HA  ))
 ASSI {  208}
   (( segid "    " and resid 39   and name H   ))
   (( segid "    " and resid 39   and name HB2 ))
      4.200     2.200     1.800 peak   208 spectrum    1 weight  0.10000E+01 volume  0.48504E-03 ppm1      7.983 ppm2      3.120 CV     1
 OR {  208}
   (( segid "    " and resid 39   and name H   ))
   (( segid "    " and resid 38   and name HB3 ))
 OR {  208}
   (( segid "    " and resid 39   and name H   ))
   (( segid "    " and resid 14   and name HB3 ))
 OR {  208}
   (( segid "    " and resid 39   and name H   ))
   (( segid "    " and resid 14   and name HB2 ))
 OR {  208}
   (( segid "    " and resid 39   and name H   ))
   (( segid "    " and resid 46   and name HB2 ))
 OR {  208}
   (( segid "    " and resid 39   and name H   ))
   (( segid "    " and resid 50   and name HD3 ))
 OR {  208}
   (( segid "    " and resid 39   and name H   ))
   (( segid "    " and resid 1    and name HB2 ))
 OR {  208}
   (( segid "    " and resid 39   and name H   ))
   (( segid "    " and resid 1    and name HB3 ))
 OR {  208}
   (( segid "    " and resid 39   and name H   ))
   (( segid "    " and resid 24   and name HD3 ))
 OR {  208}
   (( segid "    " and resid 39   and name H   ))
   (( segid "    " and resid 24   and name HD2 ))
 OR {  208}
   (( segid "    " and resid 39   and name H   ))
   (( segid "    " and resid 58   and name HB3 ))
 OR {  208}
   (( segid "    " and resid 39   and name H   ))
   (( segid "    " and resid 64   and name HB2 ))
 OR {  208}
   (( segid "    " and resid 39   and name H   ))
   (( segid "    " and resid 65   and name HB2 ))
 OR {  208}
   (( segid "    " and resid 39   and name H   ))
   (( segid "    " and resid 67   and name HB3 ))
 OR {  208}
   (( segid "    " and resid 39   and name H   ))
   (( segid "    " and resid 67   and name HB2 ))
 OR {  208}
   (( segid "    " and resid 39   and name H   ))
   (( segid "    " and resid 70   and name HD2 ))
 OR {  208}
   (( segid "    " and resid 39   and name H   ))
   (( segid "    " and resid 70   and name HD3 ))
 OR {  208}
   (( segid "    " and resid 39   and name H   ))
   (( segid "    " and resid 73   and name HB2 ))
 OR {  208}
   (( segid "    " and resid 39   and name H   ))
   (( segid "    " and resid 81   and name HB2 ))
 OR {  208}
   (( segid "    " and resid 39   and name H   ))
   (( segid "    " and resid 85   and name HD3 ))
 OR {  208}
   (( segid "    " and resid 39   and name H   ))
   (( segid "    " and resid 85   and name HD2 ))
 ASSI {  209}
   (( segid "    " and resid 38   and name H   ))
   (( segid "    " and resid 12   and name HG2 ))
      5.600     3.900     0.400 peak   209 spectrum    1 weight  0.10000E+01 volume  0.18219E-03 ppm1      8.435 ppm2      2.268 CV     1
 OR {  209}
   (( segid "    " and resid 38   and name H   ))
   (( segid "    " and resid 12   and name HG3 ))
 OR {  209}
   (( segid "    " and resid 38   and name H   ))
   (( segid "    " and resid 5    and name HB2 ))
 OR {  209}
   (( segid "    " and resid 38   and name H   ))
   (( segid "    " and resid 41   and name HG2 ))
 OR {  209}
   (( segid "    " and resid 38   and name H   ))
   (( segid "    " and resid 33   and name HG2 ))
 OR {  209}
   (( segid "    " and resid 38   and name H   ))
   (( segid "    " and resid 28   and name HG2 ))
 OR {  209}
   (( segid "    " and resid 38   and name H   ))
   (( segid "    " and resid 30   and name HG2 ))
 OR {  209}
   (( segid "    " and resid 38   and name H   ))
   (( segid "    " and resid 4    and name HB3 ))
 OR {  209}
   (( segid "    " and resid 38   and name H   ))
   (( segid "    " and resid 32   and name HG2 ))
 OR {  209}
   (( segid "    " and resid 38   and name H   ))
   (( segid "    " and resid 54   and name HB  ))
 OR {  209}
   (( segid "    " and resid 38   and name H   ))
   (( segid "    " and resid 49   and name HB2 ))
 OR {  209}
   (( segid "    " and resid 38   and name H   ))
   (( segid "    " and resid 49   and name HG3 ))
 OR {  209}
   (( segid "    " and resid 38   and name H   ))
   (( segid "    " and resid 49   and name HG2 ))
 OR {  209}
   (( segid "    " and resid 38   and name H   ))
   (( segid "    " and resid 56   and name HD3 ))
 OR {  209}
   (( segid "    " and resid 38   and name H   ))
   (( segid "    " and resid 63   and name HG3 ))
 OR {  209}
   (( segid "    " and resid 38   and name H   ))
   (( segid "    " and resid 63   and name HG2 ))
 OR {  209}
   (( segid "    " and resid 38   and name H   ))
   (( segid "    " and resid 66   and name HG3 ))
 OR {  209}
   (( segid "    " and resid 38   and name H   ))
   (( segid "    " and resid 69   and name HG3 ))
 ASSI {  210}
   (( segid "    " and resid 38   and name H   ))
   (( segid "    " and resid 38   and name HA  ))
      2.800     1.000     1.000 peak   210 spectrum    1 weight  0.10000E+01 volume  0.25009E-02 ppm1      8.434 ppm2      4.631 CV     1
 OR {  210}
   (( segid "    " and resid 38   and name H   ))
   (( segid "    " and resid 39   and name HA  ))
 OR {  210}
   (( segid "    " and resid 38   and name H   ))
   (( segid "    " and resid 35   and name HA  ))
 OR {  210}
   (( segid "    " and resid 38   and name H   ))
   (( segid "    " and resid 41   and name HA  ))
 OR {  210}
   (( segid "    " and resid 38   and name H   ))
   (( segid "    " and resid 4    and name HA  ))
 OR {  210}
   (( segid "    " and resid 38   and name H   ))
   (( segid "    " and resid 28   and name HA  ))
 OR {  210}
   (( segid "    " and resid 38   and name H   ))
   (( segid "    " and resid 45   and name HA  ))
 OR {  210}
   (( segid "    " and resid 38   and name H   ))
   (( segid "    " and resid 50   and name HA  ))
 OR {  210}
   (( segid "    " and resid 38   and name H   ))
   (( segid "    " and resid 58   and name HA  ))
 OR {  210}
   (( segid "    " and resid 38   and name H   ))
   (( segid "    " and resid 73   and name HA  ))
 OR {  210}
   (( segid "    " and resid 38   and name H   ))
   (( segid "    " and resid 80   and name HA  ))
 ASSI {  211}
   (( segid "    " and resid 37   and name H   ))
   (( segid "    " and resid 38   and name HB2 ))
      4.300     2.400     1.700 peak   211 spectrum    1 weight  0.10000E+01 volume  0.21294E-03 ppm1      8.504 ppm2      2.900 CV     1
 OR {  211}
   (( segid "    " and resid 37   and name H   ))
   (( segid "    " and resid 9    and name HB3 ))
 OR {  211}
   (( segid "    " and resid 37   and name H   ))
   (( segid "    " and resid 15   and name HD3 ))
 OR {  211}
   (( segid "    " and resid 37   and name H   ))
   (( segid "    " and resid 16   and name HE3 ))
 OR {  211}
   (( segid "    " and resid 37   and name H   ))
   (( segid "    " and resid 16   and name HE2 ))
 OR {  211}
   (( segid "    " and resid 37   and name H   ))
   (( segid "    " and resid 25   and name HE2 ))
 OR {  211}
   (( segid "    " and resid 37   and name H   ))
   (( segid "    " and resid 25   and name HE3 ))
 OR {  211}
   (( segid "    " and resid 37   and name H   ))
   (( segid "    " and resid 55   and name HB2 ))
 OR {  211}
   (( segid "    " and resid 37   and name H   ))
   (( segid "    " and resid 21   and name HE3 ))
 OR {  211}
   (( segid "    " and resid 37   and name H   ))
   (( segid "    " and resid 21   and name HE2 ))
 OR {  211}
   (( segid "    " and resid 37   and name H   ))
   (( segid "    " and resid 71   and name HE2 ))
 OR {  211}
   (( segid "    " and resid 37   and name H   ))
   (( segid "    " and resid 71   and name HE3 ))
 OR {  211}
   (( segid "    " and resid 37   and name H   ))
   (( segid "    " and resid 78   and name HE3 ))
 OR {  211}
   (( segid "    " and resid 37   and name H   ))
   (( segid "    " and resid 78   and name HE2 ))
 OR {  211}
   (( segid "    " and resid 37   and name H   ))
   (( segid "    " and resid 81   and name HB3 ))
 OR {  211}
   (( segid "    " and resid 37   and name H   ))
   (( segid "    " and resid 86   and name HE2 ))
 OR {  211}
   (( segid "    " and resid 37   and name H   ))
   (( segid "    " and resid 86   and name HE3 ))
 ASSI {  212}
   (( segid "    " and resid 37   and name H   ))
   (( segid "    " and resid 38   and name HB3 ))
      4.800     2.900     1.200 peak   212 spectrum    1 weight  0.10000E+01 volume  0.22477E-03 ppm1      8.507 ppm2      3.145 CV     1
 OR {  212}
   (( segid "    " and resid 37   and name H   ))
   (( segid "    " and resid 14   and name HB3 ))
 OR {  212}
   (( segid "    " and resid 37   and name H   ))
   (( segid "    " and resid 14   and name HB2 ))
 OR {  212}
   (( segid "    " and resid 37   and name H   ))
   (( segid "    " and resid 39   and name HB2 ))
 OR {  212}
   (( segid "    " and resid 37   and name H   ))
   (( segid "    " and resid 46   and name HB2 ))
 OR {  212}
   (( segid "    " and resid 37   and name H   ))
   (( segid "    " and resid 1    and name HB3 ))
 OR {  212}
   (( segid "    " and resid 37   and name H   ))
   (( segid "    " and resid 24   and name HD3 ))
 OR {  212}
   (( segid "    " and resid 37   and name H   ))
   (( segid "    " and resid 24   and name HD2 ))
 OR {  212}
   (( segid "    " and resid 37   and name H   ))
   (( segid "    " and resid 64   and name HB2 ))
 OR {  212}
   (( segid "    " and resid 37   and name H   ))
   (( segid "    " and resid 65   and name HB2 ))
 OR {  212}
   (( segid "    " and resid 37   and name H   ))
   (( segid "    " and resid 67   and name HB3 ))
 OR {  212}
   (( segid "    " and resid 37   and name H   ))
   (( segid "    " and resid 67   and name HB2 ))
 OR {  212}
   (( segid "    " and resid 37   and name H   ))
   (( segid "    " and resid 73   and name HB2 ))
 OR {  212}
   (( segid "    " and resid 37   and name H   ))
   (( segid "    " and resid 73   and name HB3 ))
 OR {  212}
   (( segid "    " and resid 37   and name H   ))
   (( segid "    " and resid 81   and name HB2 ))
 OR {  212}
   (( segid "    " and resid 37   and name H   ))
   (( segid "    " and resid 85   and name HD3 ))
 OR {  212}
   (( segid "    " and resid 37   and name H   ))
   (( segid "    " and resid 85   and name HD2 ))
 ASSI {  213}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 33   and name HA  ))
      2.600     0.800     0.800 peak   213 spectrum    1 weight  0.10000E+01 volume  0.58679E-03 ppm1      8.012 ppm2      4.409 CV     1
 OR {  213}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 31   and name HA  ))
 OR {  213}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 13   and name HA  ))
 OR {  213}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 6    and name HA  ))
 OR {  213}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 5    and name HA  ))
 OR {  213}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 42   and name HA  ))
 OR {  213}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 40   and name HA  ))
 OR {  213}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 18   and name HA  ))
 OR {  213}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 52   and name HA  ))
 OR {  213}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 25   and name HA  ))
 OR {  213}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 2    and name HA  ))
 OR {  213}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 19   and name HA  ))
 OR {  213}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 49   and name HA  ))
 OR {  213}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 55   and name HA  ))
 OR {  213}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 59   and name HA  ))
 OR {  213}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 60   and name HA  ))
 OR {  213}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 67   and name HA  ))
 OR {  213}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 81   and name HA  ))
 OR {  213}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 83   and name HA  ))
 OR {  213}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 87   and name HA  ))
 ASSI {  214}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 33   and name HA  ))
      2.700     0.900     0.900 peak   214 spectrum    1 weight  0.10000E+01 volume  0.64594E-03 ppm1      8.006 ppm2      4.360 CV     1
 OR {  214}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 13   and name HA  ))
 OR {  214}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 6    and name HA  ))
 OR {  214}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 15   and name HA  ))
 OR {  214}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 8    and name HA  ))
 OR {  214}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 16   and name HA  ))
 OR {  214}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 11   and name HA  ))
 OR {  214}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 5    and name HA  ))
 OR {  214}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 42   and name HA  ))
 OR {  214}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 40   and name HA  ))
 OR {  214}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 25   and name HA  ))
 OR {  214}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 2    and name HA  ))
 OR {  214}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 19   and name HA  ))
 OR {  214}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 55   and name HA  ))
 OR {  214}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 56   and name HA  ))
 OR {  214}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 59   and name HA  ))
 OR {  214}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 60   and name HA  ))
 OR {  214}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 75   and name HA  ))
 OR {  214}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 77   and name HA  ))
 OR {  214}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 83   and name HA  ))
 ASSI {  215}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 36   and name HA3 ))
      5.100     3.300     0.900 peak   215 spectrum    1 weight  0.10000E+01 volume  0.33124E-03 ppm1      8.005 ppm2      4.035 CV     1
 OR {  215}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 48   and name HA  ))
 OR {  215}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 22   and name HA  ))
 OR {  215}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 59   and name HD3 ))
 OR {  215}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 61   and name HA  ))
 OR {  215}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 63   and name HA  ))
 OR {  215}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 66   and name HA  ))
 OR {  215}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 68   and name HA  ))
 OR {  215}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 69   and name HA  ))
 ASSI {  216}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 14   and name HB2 ))
      4.000     2.000     2.000 peak   216 spectrum    1 weight  0.10000E+01 volume  0.28156E-03 ppm1      8.009 ppm2      3.136 CV     1
 OR {  216}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 14   and name HB3 ))
 OR {  216}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 38   and name HB3 ))
 OR {  216}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 39   and name HB2 ))
 OR {  216}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 24   and name HD3 ))
 OR {  216}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 1    and name HB3 ))
 OR {  216}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 24   and name HD2 ))
 OR {  216}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 50   and name HD3 ))
 OR {  216}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 46   and name HB2 ))
 OR {  216}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 64   and name HB2 ))
 OR {  216}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 65   and name HB2 ))
 OR {  216}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 67   and name HB3 ))
 OR {  216}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 67   and name HB2 ))
 OR {  216}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 73   and name HB2 ))
 OR {  216}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 73   and name HB3 ))
 OR {  216}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 81   and name HB2 ))
 OR {  216}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 85   and name HD3 ))
 OR {  216}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 85   and name HD2 ))
 ASSI {  217}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 38   and name HB2 ))
      5.000     3.100     1.000 peak   217 spectrum    1 weight  0.10000E+01 volume  0.31231E-03 ppm1      8.007 ppm2      2.900 CV     1
 OR {  217}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 9    and name HB3 ))
 OR {  217}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 16   and name HE3 ))
 OR {  217}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 16   and name HE2 ))
 OR {  217}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 15   and name HD3 ))
 OR {  217}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 25   and name HE2 ))
 OR {  217}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 25   and name HE3 ))
 OR {  217}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 55   and name HB2 ))
 OR {  217}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 21   and name HE3 ))
 OR {  217}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 21   and name HE2 ))
 OR {  217}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 71   and name HE2 ))
 OR {  217}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 71   and name HE3 ))
 OR {  217}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 78   and name HE3 ))
 OR {  217}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 78   and name HE2 ))
 OR {  217}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 81   and name HB3 ))
 OR {  217}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 86   and name HE2 ))
 OR {  217}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 86   and name HE3 ))
 ASSI {  218}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 33   and name HG2 ))
      4.100     2.100     1.900 peak   218 spectrum    1 weight  0.10000E+01 volume  0.31469E-03 ppm1      8.010 ppm2      2.242 CV     1
 OR {  218}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 32   and name HG2 ))
 OR {  218}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 12   and name HG2 ))
 OR {  218}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 30   and name HG2 ))
 OR {  218}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 12   and name HG3 ))
 OR {  218}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 5    and name HB2 ))
 OR {  218}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 28   and name HG2 ))
 OR {  218}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 4    and name HB3 ))
 OR {  218}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 41   and name HG2 ))
 OR {  218}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 17   and name HB2 ))
 OR {  218}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 54   and name HB  ))
 OR {  218}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 49   and name HB2 ))
 OR {  218}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 49   and name HG3 ))
 OR {  218}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 49   and name HG2 ))
 OR {  218}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 63   and name HG3 ))
 OR {  218}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 63   and name HG2 ))
 OR {  218}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 66   and name HG3 ))
 OR {  218}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 69   and name HG3 ))
 ASSI {  219}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 33   and name HB3 ))
      3.100     1.200     1.200 peak   219 spectrum    1 weight  0.10000E+01 volume  0.86599E-03 ppm1      8.009 ppm2      1.655 CV     1
 OR {  219}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 31   and name HB2 ))
 OR {  219}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 25   and name HD3 ))
 OR {  219}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 45   and name HB3 ))
 OR {  219}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 45   and name HG  ))
 OR {  219}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {  219}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 24   and name HG3 ))
 OR {  219}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 21   and name HB3 ))
 OR {  219}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 21   and name HB2 ))
 OR {  219}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 21   and name HD2 ))
 OR {  219}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 21   and name HD3 ))
 OR {  219}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 56   and name HG3 ))
 OR {  219}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 68   and name HB3 ))
 OR {  219}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 70   and name HB2 ))
 OR {  219}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 71   and name HB2 ))
 OR {  219}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 71   and name HB3 ))
 OR {  219}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 76   and name HG  ))
 OR {  219}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 78   and name HB3 ))
 OR {  219}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 78   and name HB2 ))
 OR {  219}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 78   and name HD2 ))
 OR {  219}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 78   and name HD3 ))
 OR {  219}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 85   and name HB2 ))
 OR {  219}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 86   and name HB2 ))
 OR {  219}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 86   and name HD3 ))
 OR {  219}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 86   and name HD2 ))
 ASSI {  220}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 37   and name H   ))
      4.500     2.500     1.500 peak   220 spectrum    1 weight  0.10000E+01 volume  0.59151E-03 ppm1      8.008 ppm2      8.457 CV     1
 OR {  220}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 33   and name H   ))
 OR {  220}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 38   and name H   ))
 OR {  220}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 41   and name H   ))
 OR {  220}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 18   and name H   ))
 OR {  220}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 49   and name H   ))
 OR {  220}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 55   and name H   ))
 OR {  220}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 82   and name H   ))
 ASSI {  221}
   (( segid "    " and resid 34   and name H   ))
   (( segid "    " and resid 33   and name HG3 ))
      4.200     2.300     1.800 peak   221 spectrum    1 weight  0.10000E+01 volume  0.12942E-02 ppm1      8.780 ppm2      2.024 CV     1
 OR {  221}
   (( segid "    " and resid 34   and name H   ))
   (( segid "    " and resid 33   and name HB2 ))
 OR {  221}
   (( segid "    " and resid 34   and name H   ))
   (( segid "    " and resid 30   and name HB2 ))
 OR {  221}
   (( segid "    " and resid 34   and name H   ))
   (( segid "    " and resid 12   and name HB3 ))
 OR {  221}
   (( segid "    " and resid 34   and name H   ))
   (( segid "    " and resid 28   and name HB2 ))
 OR {  221}
   (( segid "    " and resid 34   and name H   ))
   (( segid "    " and resid 17   and name HG3 ))
 OR {  221}
   (( segid "    " and resid 34   and name H   ))
   (( segid "    " and resid 25   and name HB3 ))
 OR {  221}
   (( segid "    " and resid 34   and name H   ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {  221}
   (( segid "    " and resid 34   and name H   ))
   (( segid "    " and resid 25   and name HB2 ))
 OR {  221}
   (( segid "    " and resid 34   and name H   ))
   (( segid "    " and resid 56   and name HB2 ))
 OR {  221}
   (( segid "    " and resid 34   and name H   ))
   (( segid "    " and resid 57   and name HB3 ))
 OR {  221}
   (( segid "    " and resid 34   and name H   ))
   (( segid "    " and resid 59   and name HG3 ))
 OR {  221}
   (( segid "    " and resid 34   and name H   ))
   (( segid "    " and resid 59   and name HG2 ))
 OR {  221}
   (( segid "    " and resid 34   and name H   ))
   (( segid "    " and resid 59   and name HB2 ))
 OR {  221}
   (( segid "    " and resid 34   and name H   ))
   (( segid "    " and resid 63   and name HB2 ))
 OR {  221}
   (( segid "    " and resid 34   and name H   ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {  221}
   (( segid "    " and resid 34   and name H   ))
   (( segid "    " and resid 66   and name HB3 ))
 OR {  221}
   (( segid "    " and resid 34   and name H   ))
   (( segid "    " and resid 69   and name HB3 ))
 OR {  221}
   (( segid "    " and resid 34   and name H   ))
   (  segid "    " and resid 83   and name HE% )
 OR {  221}
   (( segid "    " and resid 34   and name H   ))
   (( segid "    " and resid 83   and name HB3 ))
 OR {  221}
   (( segid "    " and resid 34   and name H   ))
   (  segid "    " and resid 87   and name HE% )
 OR {  221}
   (( segid "    " and resid 34   and name H   ))
   (( segid "    " and resid 87   and name HB2 ))
 ASSI {  222}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 35   and name H   ))
      4.700     2.700     1.300 peak   222 spectrum    1 weight  0.10000E+01 volume  0.21294E-03 ppm1      8.448 ppm2      7.990 CV     1
 OR {  222}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 39   and name H   ))
 OR {  222}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 66   and name H   ))
 OR {  222}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 67   and name H   ))
 OR {  222}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 68   and name H   ))
 OR {  222}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 70   and name H   ))
 OR {  222}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 71   and name H   ))
 OR {  222}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 72   and name H   ))
 OR {  222}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 75   and name H   ))
 OR {  222}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 83   and name H   ))
 OR {  222}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 84   and name H   ))
 OR {  222}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 88   and name H   ))
 ASSI {  223}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 32   and name HB2 ))
      4.000     2.000     2.000 peak   223 spectrum    1 weight  0.10000E+01 volume  0.81630E-03 ppm1      8.450 ppm2      1.886 CV     1
 OR {  223}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 13   and name HB3 ))
 OR {  223}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 12   and name HB2 ))
 OR {  223}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 5    and name HG2 ))
 OR {  223}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 15   and name HB3 ))
 OR {  223}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 28   and name HB3 ))
 OR {  223}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 5    and name HG3 ))
 OR {  223}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 5    and name HB3 ))
 OR {  223}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 4    and name HG3 ))
 OR {  223}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 17   and name HG2 ))
 OR {  223}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 4    and name HB2 ))
 OR {  223}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 24   and name HB2 ))
 OR {  223}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 44   and name HB  ))
 OR {  223}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 41   and name HG3 ))
 OR {  223}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 50   and name HB3 ))
 OR {  223}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 49   and name HB3 ))
 OR {  223}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 47   and name HB3 ))
 OR {  223}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 56   and name HB3 ))
 OR {  223}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 66   and name HB2 ))
 OR {  223}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 68   and name HG2 ))
 OR {  223}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 68   and name HB2 ))
 OR {  223}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 69   and name HB2 ))
 OR {  223}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 77   and name HG2 ))
 OR {  223}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 77   and name HG3 ))
 OR {  223}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 83   and name HB2 ))
 OR {  223}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 87   and name HB3 ))
 ASSI {  224}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 32   and name HB3 ))
      4.000     2.000     2.000 peak   224 spectrum    1 weight  0.10000E+01 volume  0.98192E-03 ppm1      8.450 ppm2      1.766 CV     1
 OR {  224}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 16   and name HB2 ))
 OR {  224}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 29   and name HB  ))
 OR {  224}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 27   and name HB  ))
 OR {  224}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 4    and name HB2 ))
 OR {  224}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 17   and name HB3 ))
 OR {  224}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 18   and name HG  ))
 OR {  224}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 24   and name HB3 ))
 OR {  224}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 41   and name HB3 ))
 OR {  224}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 41   and name HB2 ))
 OR {  224}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 24   and name HG2 ))
 OR {  224}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 50   and name HB2 ))
 OR {  224}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {  224}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 68   and name HG3 ))
 OR {  224}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 70   and name HB2 ))
 OR {  224}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 70   and name HB3 ))
 OR {  224}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 71   and name HB3 ))
 OR {  224}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 77   and name HB2 ))
 OR {  224}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 78   and name HB2 ))
 OR {  224}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 85   and name HB3 ))
 OR {  224}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 86   and name HB3 ))
 ASSI {  225}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 33   and name HB3 ))
      3.600     1.600     1.600 peak   225 spectrum    1 weight  0.10000E+01 volume  0.29434E-02 ppm1      8.449 ppm2      1.649 CV     1
 OR {  225}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 31   and name HB2 ))
 OR {  225}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {  225}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 3    and name HG  ))
 OR {  225}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 25   and name HD3 ))
 OR {  225}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {  225}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 24   and name HG3 ))
 OR {  225}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 45   and name HG  ))
 OR {  225}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 45   and name HB3 ))
 OR {  225}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 21   and name HB3 ))
 OR {  225}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 21   and name HB2 ))
 OR {  225}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 21   and name HD2 ))
 OR {  225}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 21   and name HD3 ))
 OR {  225}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 56   and name HG3 ))
 OR {  225}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 68   and name HB3 ))
 OR {  225}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 70   and name HB2 ))
 OR {  225}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 70   and name HG2 ))
 OR {  225}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 71   and name HB2 ))
 OR {  225}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 76   and name HG  ))
 OR {  225}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 78   and name HB3 ))
 OR {  225}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 78   and name HD2 ))
 OR {  225}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 78   and name HD3 ))
 OR {  225}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 85   and name HB2 ))
 OR {  225}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 86   and name HB2 ))
 OR {  225}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 86   and name HD3 ))
 OR {  225}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 86   and name HD2 ))
 ASSI {  226}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 31   and name HG  ))
      3.000     1.200     1.200 peak   226 spectrum    1 weight  0.10000E+01 volume  0.47321E-03 ppm1      8.449 ppm2      1.170 CV     1
 OR {  226}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 31   and name HB3 ))
 OR {  226}
   (( segid "    " and resid 33   and name H   ))
   (  segid "    " and resid 34   and name HB% )
 OR {  226}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 16   and name HG3 ))
 OR {  226}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 16   and name HG2 ))
 OR {  226}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 16   and name HB3 ))
 OR {  226}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 13   and name HB2 ))
 OR {  226}
   (( segid "    " and resid 33   and name H   ))
   (  segid "    " and resid 7    and name HG2%)
 OR {  226}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 40   and name HB3 ))
 OR {  226}
   (( segid "    " and resid 33   and name H   ))
   (  segid "    " and resid 54   and name HG2%)
 OR {  226}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 61   and name HG  ))
 OR {  226}
   (( segid "    " and resid 33   and name H   ))
   (  segid "    " and resid 75   and name HG2%)
 ASSI {  227}
   (( segid "    " and resid 33   and name H   ))
   (  segid "    " and resid 31   and name HD2%)
      5.600     4.000     0.400 peak   227 spectrum    1 weight  0.10000E+01 volume  0.22715E-03 ppm1      8.449 ppm2      0.342 CV     1
 OR {  227}
   (( segid "    " and resid 33   and name H   ))
   (  segid "    " and resid 44   and name HG1%)
 OR {  227}
   (( segid "    " and resid 33   and name H   ))
   (  segid "    " and resid 61   and name HD2%)
 ASSI {  228}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 32   and name HB3 ))
      3.400     1.400     1.400 peak   228 spectrum    1 weight  0.10000E+01 volume  0.57969E-03 ppm1      8.831 ppm2      1.757 CV     1
 OR {  228}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 16   and name HB2 ))
 OR {  228}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 27   and name HB  ))
 OR {  228}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 29   and name HB  ))
 OR {  228}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 17   and name HB3 ))
 OR {  228}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 4    and name HB2 ))
 OR {  228}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 18   and name HG  ))
 OR {  228}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 24   and name HB3 ))
 OR {  228}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 24   and name HG2 ))
 OR {  228}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 24   and name HG3 ))
 OR {  228}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 41   and name HB3 ))
 OR {  228}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 41   and name HB2 ))
 OR {  228}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 50   and name HB2 ))
 OR {  228}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {  228}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 68   and name HG3 ))
 OR {  228}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 70   and name HB2 ))
 OR {  228}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 70   and name HB3 ))
 OR {  228}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 71   and name HB3 ))
 OR {  228}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 77   and name HB2 ))
 OR {  228}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 78   and name HB2 ))
 OR {  228}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 85   and name HB3 ))
 OR {  228}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 86   and name HB2 ))
 OR {  228}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 86   and name HB3 ))
 ASSI {  229}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 31   and name HB3 ))
      5.100     3.200     0.900 peak   229 spectrum    1 weight  0.10000E+01 volume  0.21531E-03 ppm1      8.827 ppm2      1.227 CV     1
 OR {  229}
   (( segid "    " and resid 32   and name H   ))
   (  segid "    " and resid 34   and name HB% )
 OR {  229}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 16   and name HG3 ))
 OR {  229}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 16   and name HG2 ))
 OR {  229}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 16   and name HB3 ))
 OR {  229}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 18   and name HB3 ))
 OR {  229}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 40   and name HG  ))
 OR {  229}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 40   and name HB3 ))
 OR {  229}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 52   and name HG12))
 OR {  229}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 45   and name HB2 ))
 OR {  229}
   (( segid "    " and resid 32   and name H   ))
   (  segid "    " and resid 54   and name HG2%)
 OR {  229}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 50   and name HG3 ))
 OR {  229}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 54   and name HG12))
 OR {  229}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 54   and name HG13))
 OR {  229}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 61   and name HG  ))
 OR {  229}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 71   and name HG2 ))
 OR {  229}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 79   and name HB3 ))
 ASSI {  230}
   (( segid "    " and resid 32   and name H   ))
   (  segid "    " and resid 29   and name HG1%)
      2.800     1.000     1.000 peak   230 spectrum    1 weight  0.10000E+01 volume  0.36202E-03 ppm1      8.831 ppm2      0.780 CV     1
 OR {  230}
   (( segid "    " and resid 32   and name H   ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  230}
   (( segid "    " and resid 32   and name H   ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  230}
   (( segid "    " and resid 32   and name H   ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  230}
   (( segid "    " and resid 32   and name H   ))
   (  segid "    " and resid 3    and name HD1%)
 OR {  230}
   (( segid "    " and resid 32   and name H   ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  230}
   (( segid "    " and resid 32   and name H   ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  230}
   (( segid "    " and resid 32   and name H   ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  230}
   (( segid "    " and resid 32   and name H   ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  230}
   (( segid "    " and resid 32   and name H   ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  230}
   (( segid "    " and resid 32   and name H   ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  230}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 52   and name HG13))
 OR {  230}
   (( segid "    " and resid 32   and name H   ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  230}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {  230}
   (( segid "    " and resid 32   and name H   ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  230}
   (( segid "    " and resid 32   and name H   ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  230}
   (( segid "    " and resid 32   and name H   ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  230}
   (( segid "    " and resid 32   and name H   ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  230}
   (( segid "    " and resid 32   and name H   ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  230}
   (( segid "    " and resid 32   and name H   ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  230}
   (( segid "    " and resid 32   and name H   ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  230}
   (( segid "    " and resid 32   and name H   ))
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  231}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 31   and name HA  ))
      2.700     0.900     0.900 peak   231 spectrum    1 weight  0.10000E+01 volume  0.20348E-02 ppm1      8.835 ppm2      4.472 CV     1
 OR {  231}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 32   and name HA  ))
 OR {  231}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 14   and name HA  ))
 OR {  231}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 12   and name HA  ))
 OR {  231}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 17   and name HA  ))
 OR {  231}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 18   and name HA  ))
 OR {  231}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 9    and name HA  ))
 OR {  231}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 40   and name HA  ))
 OR {  231}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 10   and name HA  ))
 OR {  231}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 52   and name HA  ))
 OR {  231}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 44   and name HA  ))
 OR {  231}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 49   and name HA  ))
 OR {  231}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 57   and name HA  ))
 OR {  231}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 59   and name HA  ))
 OR {  231}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 67   and name HA  ))
 OR {  231}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 76   and name HA  ))
 OR {  231}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 81   and name HA  ))
 OR {  231}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 87   and name HA  ))
 ASSI {  232}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 31   and name HG  ))
      4.300     2.300     1.700 peak   232 spectrum    1 weight  0.10000E+01 volume  0.19876E-03 ppm1      8.848 ppm2      1.149 CV     1
 OR {  232}
   (( segid "    " and resid 32   and name H   ))
   (  segid "    " and resid 34   and name HB% )
 OR {  232}
   (( segid "    " and resid 32   and name H   ))
   (  segid "    " and resid 11   and name HG2%)
 OR {  232}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 13   and name HB2 ))
 OR {  232}
   (( segid "    " and resid 32   and name H   ))
   (  segid "    " and resid 7    and name HG2%)
 OR {  232}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 40   and name HB3 ))
 OR {  232}
   (( segid "    " and resid 32   and name H   ))
   (  segid "    " and resid 75   and name HG2%)
 ASSI {  233}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 32   and name HB3 ))
      5.000     3.200     1.000 peak   233 spectrum    1 weight  0.10000E+01 volume  0.18455E-03 ppm1      8.863 ppm2      1.846 CV     1
 OR {  233}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 29   and name HB  ))
 OR {  233}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 27   and name HB  ))
 OR {  233}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 32   and name HB2 ))
 OR {  233}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 28   and name HB3 ))
 OR {  233}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 15   and name HB3 ))
 OR {  233}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 17   and name HG2 ))
 OR {  233}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 5    and name HB3 ))
 OR {  233}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 4    and name HB2 ))
 OR {  233}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 12   and name HB2 ))
 OR {  233}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 24   and name HB2 ))
 OR {  233}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 41   and name HB3 ))
 OR {  233}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 41   and name HB2 ))
 OR {  233}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 41   and name HG3 ))
 OR {  233}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 50   and name HB3 ))
 OR {  233}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 50   and name HB2 ))
 OR {  233}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 47   and name HB3 ))
 OR {  233}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 56   and name HB3 ))
 OR {  233}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 68   and name HG2 ))
 OR {  233}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 68   and name HB2 ))
 OR {  233}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 77   and name HG2 ))
 OR {  233}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 77   and name HG3 ))
 ASSI {  234}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 16   and name HB2 ))
      4.100     2.100     1.900 peak   234 spectrum    1 weight  0.10000E+01 volume  0.27920E-03 ppm1      8.863 ppm2      1.751 CV     1
 OR {  234}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 32   and name HB3 ))
 OR {  234}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 29   and name HB  ))
 OR {  234}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 27   and name HB  ))
 OR {  234}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 17   and name HB3 ))
 OR {  234}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 18   and name HG  ))
 OR {  234}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 24   and name HB3 ))
 OR {  234}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 24   and name HG2 ))
 OR {  234}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 24   and name HG3 ))
 OR {  234}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 41   and name HB3 ))
 OR {  234}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 41   and name HB2 ))
 OR {  234}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 50   and name HB2 ))
 OR {  234}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {  234}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 56   and name HG3 ))
 OR {  234}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 68   and name HG3 ))
 OR {  234}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 70   and name HB2 ))
 OR {  234}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 70   and name HB3 ))
 OR {  234}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 71   and name HB3 ))
 OR {  234}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 77   and name HB2 ))
 OR {  234}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 78   and name HB2 ))
 OR {  234}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 85   and name HB3 ))
 OR {  234}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 85   and name HB2 ))
 OR {  234}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 86   and name HB2 ))
 OR {  234}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 86   and name HB3 ))
 ASSI {  235}
   (( segid "    " and resid 31   and name H   ))
   (  segid "    " and resid 29   and name HG1%)
      4.400     2.500     1.600 peak   235 spectrum    1 weight  0.10000E+01 volume  0.56076E-03 ppm1      8.855 ppm2      0.764 CV     1
 OR {  235}
   (( segid "    " and resid 31   and name H   ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  235}
   (( segid "    " and resid 31   and name H   ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  235}
   (( segid "    " and resid 31   and name H   ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  235}
   (( segid "    " and resid 31   and name H   ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  235}
   (( segid "    " and resid 31   and name H   ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  235}
   (( segid "    " and resid 31   and name H   ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  235}
   (( segid "    " and resid 31   and name H   ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  235}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 52   and name HG13))
 OR {  235}
   (( segid "    " and resid 31   and name H   ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  235}
   (( segid "    " and resid 31   and name H   ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  235}
   (( segid "    " and resid 31   and name H   ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  235}
   (( segid "    " and resid 31   and name H   ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  235}
   (( segid "    " and resid 31   and name H   ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  235}
   (( segid "    " and resid 31   and name H   ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  235}
   (( segid "    " and resid 31   and name H   ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  235}
   (( segid "    " and resid 31   and name H   ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  235}
   (( segid "    " and resid 31   and name H   ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  235}
   (( segid "    " and resid 31   and name H   ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  235}
   (( segid "    " and resid 31   and name H   ))
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  236}
   (( segid "    " and resid 29   and name H   ))
   (( segid "    " and resid 28   and name HG3 ))
      3.100     1.200     1.200 peak   236 spectrum    1 weight  0.10000E+01 volume  0.81866E-03 ppm1      8.751 ppm2      2.135 CV     1
 OR {  236}
   (( segid "    " and resid 29   and name H   ))
   (( segid "    " and resid 30   and name HB3 ))
 OR {  236}
   (( segid "    " and resid 29   and name H   ))
   (( segid "    " and resid 30   and name HG3 ))
 OR {  236}
   (( segid "    " and resid 29   and name H   ))
   (( segid "    " and resid 5    and name HB2 ))
 OR {  236}
   (( segid "    " and resid 29   and name H   ))
   (( segid "    " and resid 26   and name HB  ))
 OR {  236}
   (( segid "    " and resid 29   and name H   ))
   (( segid "    " and resid 17   and name HB2 ))
 OR {  236}
   (( segid "    " and resid 29   and name H   ))
   (( segid "    " and resid 32   and name HG3 ))
 OR {  236}
   (( segid "    " and resid 29   and name H   ))
   (( segid "    " and resid 33   and name HG3 ))
 OR {  236}
   (( segid "    " and resid 29   and name H   ))
   (( segid "    " and resid 59   and name HG3 ))
 OR {  236}
   (( segid "    " and resid 29   and name H   ))
   (( segid "    " and resid 66   and name HG2 ))
 OR {  236}
   (( segid "    " and resid 29   and name H   ))
   (( segid "    " and resid 69   and name HG2 ))
 OR {  236}
   (( segid "    " and resid 29   and name H   ))
   (( segid "    " and resid 77   and name HB3 ))
 OR {  236}
   (( segid "    " and resid 29   and name H   ))
   (( segid "    " and resid 87   and name HB2 ))
 ASSI {  237}
   (( segid "    " and resid 29   and name H   ))
   (( segid "    " and resid 28   and name HB2 ))
      4.400     2.500     1.600 peak   237 spectrum    1 weight  0.10000E+01 volume  0.96299E-03 ppm1      8.753 ppm2      2.027 CV     1
 OR {  237}
   (( segid "    " and resid 29   and name H   ))
   (( segid "    " and resid 30   and name HB2 ))
 OR {  237}
   (( segid "    " and resid 29   and name H   ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {  237}
   (( segid "    " and resid 29   and name H   ))
   (( segid "    " and resid 25   and name HB3 ))
 OR {  237}
   (( segid "    " and resid 29   and name H   ))
   (( segid "    " and resid 17   and name HG3 ))
 OR {  237}
   (( segid "    " and resid 29   and name H   ))
   (( segid "    " and resid 25   and name HB2 ))
 OR {  237}
   (( segid "    " and resid 29   and name H   ))
   (( segid "    " and resid 33   and name HB2 ))
 OR {  237}
   (( segid "    " and resid 29   and name H   ))
   (( segid "    " and resid 33   and name HG3 ))
 OR {  237}
   (( segid "    " and resid 29   and name H   ))
   (( segid "    " and resid 12   and name HB3 ))
 OR {  237}
   (( segid "    " and resid 29   and name H   ))
   (( segid "    " and resid 56   and name HB2 ))
 OR {  237}
   (( segid "    " and resid 29   and name H   ))
   (( segid "    " and resid 57   and name HB3 ))
 OR {  237}
   (( segid "    " and resid 29   and name H   ))
   (( segid "    " and resid 59   and name HG3 ))
 OR {  237}
   (( segid "    " and resid 29   and name H   ))
   (( segid "    " and resid 59   and name HG2 ))
 OR {  237}
   (( segid "    " and resid 29   and name H   ))
   (( segid "    " and resid 59   and name HB2 ))
 OR {  237}
   (( segid "    " and resid 29   and name H   ))
   (( segid "    " and resid 63   and name HB2 ))
 OR {  237}
   (( segid "    " and resid 29   and name H   ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {  237}
   (( segid "    " and resid 29   and name H   ))
   (( segid "    " and resid 66   and name HB3 ))
 OR {  237}
   (( segid "    " and resid 29   and name H   ))
   (( segid "    " and resid 69   and name HB3 ))
 OR {  237}
   (( segid "    " and resid 29   and name H   ))
   (  segid "    " and resid 83   and name HE% )
 OR {  237}
   (( segid "    " and resid 29   and name H   ))
   (( segid "    " and resid 83   and name HB3 ))
 OR {  237}
   (( segid "    " and resid 29   and name H   ))
   (  segid "    " and resid 87   and name HE% )
 OR {  237}
   (( segid "    " and resid 29   and name H   ))
   (( segid "    " and resid 87   and name HB2 ))
 ASSI {  238}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 4    and name HA  ))
      2.900     1.100     1.100 peak   238 spectrum    1 weight  0.10000E+01 volume  0.28156E-03 ppm1      7.518 ppm2      4.561 CV     1
 OR {  238}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 3    and name HA  ))
 OR {  238}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 14   and name HA  ))
 OR {  238}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 35   and name HA  ))
 OR {  238}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 39   and name HA  ))
 OR {  238}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 9    and name HA  ))
 OR {  238}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 10   and name HA  ))
 OR {  238}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 44   and name HA  ))
 OR {  238}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 45   and name HA  ))
 OR {  238}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 50   and name HA  ))
 OR {  238}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 57   and name HA  ))
 OR {  238}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 73   and name HA  ))
 OR {  238}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 76   and name HA  ))
 OR {  238}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 80   and name HA  ))
 ASSI {  239}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 24   and name HD2 ))
      2.200     0.600     0.600 peak   239 spectrum    1 weight  0.10000E+01 volume  0.16018E-02 ppm1      7.521 ppm2      3.181 CV     1
 OR {  239}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 1    and name HB3 ))
 OR {  239}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 38   and name HB3 ))
 OR {  239}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 39   and name HB2 ))
 OR {  239}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 46   and name HB2 ))
 OR {  239}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 64   and name HB2 ))
 OR {  239}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 65   and name HB2 ))
 OR {  239}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 67   and name HB2 ))
 OR {  239}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 73   and name HB3 ))
 ASSI {  240}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 24   and name HD3 ))
      3.300     1.400     1.400 peak   240 spectrum    1 weight  0.10000E+01 volume  0.12138E-02 ppm1      7.522 ppm2      3.050 CV     1
 OR {  240}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 14   and name HB3 ))
 OR {  240}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 14   and name HB2 ))
 OR {  240}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 1    and name HB3 ))
 OR {  240}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 1    and name HB2 ))
 OR {  240}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 39   and name HB2 ))
 OR {  240}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 50   and name HD3 ))
 OR {  240}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 46   and name HB3 ))
 OR {  240}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 50   and name HD2 ))
 OR {  240}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 58   and name HB3 ))
 OR {  240}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 64   and name HB3 ))
 OR {  240}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 65   and name HB3 ))
 OR {  240}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 67   and name HB3 ))
 OR {  240}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 70   and name HD2 ))
 OR {  240}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 70   and name HD3 ))
 OR {  240}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 73   and name HB2 ))
 OR {  240}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 81   and name HB2 ))
 OR {  240}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 85   and name HD3 ))
 OR {  240}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 85   and name HD2 ))
 ASSI {  241}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 28   and name HB3 ))
      3.500     1.600     1.600 peak   241 spectrum    1 weight  0.10000E+01 volume  0.28724E-02 ppm1      7.522 ppm2      1.820 CV     1
 OR {  241}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 27   and name HB  ))
 OR {  241}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 29   and name HB  ))
 OR {  241}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 18   and name HG  ))
 OR {  241}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 16   and name HB2 ))
 OR {  241}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 24   and name HB3 ))
 OR {  241}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 24   and name HB2 ))
 OR {  241}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 17   and name HG2 ))
 OR {  241}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 17   and name HB3 ))
 OR {  241}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 5    and name HB3 ))
 OR {  241}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 24   and name HG2 ))
 OR {  241}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 4    and name HB2 ))
 OR {  241}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 32   and name HB3 ))
 OR {  241}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 15   and name HB3 ))
 OR {  241}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 41   and name HB3 ))
 OR {  241}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 41   and name HB2 ))
 OR {  241}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 41   and name HG3 ))
 OR {  241}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 50   and name HB3 ))
 OR {  241}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 50   and name HB2 ))
 OR {  241}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 56   and name HB3 ))
 OR {  241}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 68   and name HG2 ))
 OR {  241}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 68   and name HB2 ))
 OR {  241}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 70   and name HB3 ))
 OR {  241}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 77   and name HG2 ))
 OR {  241}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 77   and name HG3 ))
 OR {  241}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 77   and name HB2 ))
 OR {  241}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 85   and name HB3 ))
 OR {  241}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 86   and name HB3 ))
 ASSI {  242}
   (( segid "    " and resid 28   and name H   ))
   (  segid "    " and resid 29   and name HG2%)
      5.700     4.100     0.300 peak   242 spectrum    1 weight  0.10000E+01 volume  0.39039E-03 ppm1      7.523 ppm2      0.546 CV     1
 OR {  242}
   (( segid "    " and resid 28   and name H   ))
   (  segid "    " and resid 23   and name HD1%)
 OR {  242}
   (( segid "    " and resid 28   and name H   ))
   (  segid "    " and resid 13   and name HD2%)
 OR {  242}
   (( segid "    " and resid 28   and name H   ))
   (  segid "    " and resid 52   and name HD1%)
 OR {  242}
   (( segid "    " and resid 28   and name H   ))
   (  segid "    " and resid 45   and name HD2%)
 OR {  242}
   (( segid "    " and resid 28   and name H   ))
   (  segid "    " and resid 45   and name HD1%)
 ASSI {  243}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 35   and name H   ))
      3.000     1.100     1.100 peak   243 spectrum    1 weight  0.10000E+01 volume  0.23187E-03 ppm1      7.207 ppm2      8.020 CV     1
 OR {  243}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 39   and name H   ))
 OR {  243}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 66   and name H   ))
 OR {  243}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 70   and name H   ))
 OR {  243}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 71   and name H   ))
 OR {  243}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 72   and name H   ))
 OR {  243}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 75   and name H   ))
 OR {  243}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 83   and name H   ))
 OR {  243}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 84   and name H   ))
 ASSI {  244}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 30   and name HA  ))
      4.600     2.600     1.400 peak   244 spectrum    1 weight  0.10000E+01 volume  0.32652E-03 ppm1      7.204 ppm2      4.827 CV     1
 OR {  244}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 46   and name HA  ))
 OR {  244}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 47   and name HA  ))
 OR {  244}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 54   and name HA  ))
 ASSI {  245}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 18   and name HG  ))
      4.900     3.000     1.100 peak   245 spectrum    1 weight  0.10000E+01 volume  0.48504E-03 ppm1      7.205 ppm2      1.774 CV     1
 OR {  245}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 24   and name HB3 ))
 OR {  245}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 27   and name HB  ))
 OR {  245}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 24   and name HG2 ))
 OR {  245}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 28   and name HB3 ))
 OR {  245}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 16   and name HB2 ))
 OR {  245}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 29   and name HB  ))
 OR {  245}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 17   and name HB3 ))
 OR {  245}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 4    and name HB2 ))
 OR {  245}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 32   and name HB3 ))
 OR {  245}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 41   and name HB3 ))
 OR {  245}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 41   and name HB2 ))
 OR {  245}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {  245}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 50   and name HB2 ))
 OR {  245}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 68   and name HG3 ))
 OR {  245}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 70   and name HB2 ))
 OR {  245}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 70   and name HB3 ))
 OR {  245}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 71   and name HB3 ))
 OR {  245}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 77   and name HB2 ))
 OR {  245}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 78   and name HB2 ))
 OR {  245}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 85   and name HB3 ))
 OR {  245}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 86   and name HB3 ))
 ASSI {  246}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 25   and name HG3 ))
      3.400     1.500     1.500 peak   246 spectrum    1 weight  0.10000E+01 volume  0.11878E-02 ppm1      7.208 ppm2      1.577 CV     1
 OR {  246}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {  246}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {  246}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {  246}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {  246}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 22   and name HB3 ))
 OR {  246}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 3    and name HG  ))
 OR {  246}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 21   and name HD2 ))
 OR {  246}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 21   and name HD3 ))
 OR {  246}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 31   and name HB2 ))
 OR {  246}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 13   and name HG  ))
 OR {  246}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 45   and name HB3 ))
 OR {  246}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 45   and name HG  ))
 OR {  246}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 47   and name HG  ))
 OR {  246}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 61   and name HB3 ))
 OR {  246}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 70   and name HG3 ))
 OR {  246}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 70   and name HG2 ))
 OR {  246}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {  246}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {  246}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 76   and name HB2 ))
 OR {  246}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 76   and name HG  ))
 OR {  246}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 78   and name HD2 ))
 OR {  246}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 78   and name HD3 ))
 OR {  246}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 84   and name HB3 ))
 OR {  246}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 84   and name HG  ))
 OR {  246}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {  246}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 85   and name HG3 ))
 OR {  246}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 86   and name HD3 ))
 OR {  246}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 86   and name HD2 ))
 ASSI {  247}
   (( segid "    " and resid 26   and name H   ))
   (  segid "    " and resid 23   and name HD1%)
      4.100     2.100     1.900 peak   247 spectrum    1 weight  0.10000E+01 volume  0.20584E-03 ppm1      7.206 ppm2      0.477 CV     1
 OR {  247}
   (( segid "    " and resid 26   and name H   ))
   (  segid "    " and resid 29   and name HG2%)
 OR {  247}
   (( segid "    " and resid 26   and name H   ))
   (  segid "    " and resid 52   and name HD1%)
 OR {  247}
   (( segid "    " and resid 26   and name H   ))
   (  segid "    " and resid 61   and name HD1%)
 ASSI {  249}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 23   and name H   ))
      2.700     0.900     0.900 peak   249 spectrum    1 weight  0.10000E+01 volume  0.40932E-03 ppm1      7.644 ppm2      7.858 CV     1
 OR {  249}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 21   and name H   ))
 OR {  249}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 32   and name HE21))
 OR {  249}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 63   and name H   ))
 OR {  249}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 67   and name H   ))
 OR {  249}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 68   and name H   ))
 OR {  249}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 88   and name H   ))
 ASSI {  250}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 26   and name HB  ))
      3.700     1.700     1.700 peak   250 spectrum    1 weight  0.10000E+01 volume  0.15427E-02 ppm1      7.646 ppm2      2.162 CV     1
 OR {  250}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 17   and name HB2 ))
 OR {  250}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 28   and name HG3 ))
 OR {  250}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 30   and name HG2 ))
 OR {  250}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 30   and name HB3 ))
 OR {  250}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 30   and name HG3 ))
 OR {  250}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 5    and name HB2 ))
 OR {  250}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 32   and name HG3 ))
 OR {  250}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 33   and name HG2 ))
 OR {  250}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 54   and name HB  ))
 OR {  250}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 49   and name HB2 ))
 OR {  250}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 66   and name HG2 ))
 OR {  250}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 69   and name HG2 ))
 OR {  250}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 69   and name HG3 ))
 OR {  250}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 77   and name HB3 ))
 ASSI {  251}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 25   and name HD2 ))
      3.000     1.100     1.100 peak   251 spectrum    1 weight  0.10000E+01 volume  0.47842E-02 ppm1      7.647 ppm2      1.582 CV     1
 OR {  251}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {  251}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 22   and name HB3 ))
 OR {  251}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {  251}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {  251}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {  251}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 21   and name HD2 ))
 OR {  251}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 21   and name HD3 ))
 OR {  251}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 3    and name HG  ))
 OR {  251}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 31   and name HB2 ))
 OR {  251}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 13   and name HG  ))
 OR {  251}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 45   and name HB3 ))
 OR {  251}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 45   and name HG  ))
 OR {  251}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 47   and name HG  ))
 OR {  251}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 61   and name HB3 ))
 OR {  251}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 70   and name HG3 ))
 OR {  251}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 70   and name HG2 ))
 OR {  251}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {  251}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {  251}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 76   and name HB2 ))
 OR {  251}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 76   and name HG  ))
 OR {  251}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 78   and name HD2 ))
 OR {  251}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 78   and name HD3 ))
 OR {  251}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 84   and name HB3 ))
 OR {  251}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 84   and name HG  ))
 OR {  251}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {  251}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 85   and name HG3 ))
 OR {  251}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 86   and name HD3 ))
 OR {  251}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 86   and name HD2 ))
 ASSI {  252}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 35   and name H   ))
      2.800     1.000     1.000 peak   252 spectrum    1 weight  0.10000E+01 volume  0.35017E-03 ppm1      7.644 ppm2      8.033 CV     1
 OR {  252}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 39   and name H   ))
 OR {  252}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 66   and name H   ))
 OR {  252}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 70   and name H   ))
 OR {  252}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 71   and name H   ))
 OR {  252}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 72   and name H   ))
 OR {  252}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 75   and name H   ))
 OR {  252}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 79   and name H   ))
 OR {  252}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 83   and name H   ))
 OR {  252}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 84   and name H   ))
 ASSI {  253}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 35   and name H   ))
      2.600     0.900     0.900 peak   253 spectrum    1 weight  0.10000E+01 volume  0.51343E-03 ppm1      7.729 ppm2      8.025 CV     1
 OR {  253}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 39   and name H   ))
 OR {  253}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 66   and name H   ))
 OR {  253}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 70   and name H   ))
 OR {  253}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 71   and name H   ))
 OR {  253}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 72   and name H   ))
 OR {  253}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 75   and name H   ))
 OR {  253}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 79   and name H   ))
 OR {  253}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 83   and name H   ))
 OR {  253}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 84   and name H   ))
 ASSI {  254}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 23   and name H   ))
      3.100     1.200     1.200 peak   254 spectrum    1 weight  0.10000E+01 volume  0.14031E-02 ppm1      7.728 ppm2      7.845 CV     1
 OR {  254}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 21   and name H   ))
 OR {  254}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 32   and name HE21))
 OR {  254}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 63   and name H   ))
 ASSI {  255}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 25   and name HA  ))
      4.200     2.200     1.800 peak   255 spectrum    1 weight  0.10000E+01 volume  0.48032E-03 ppm1      7.731 ppm2      4.335 CV     1
 OR {  255}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 19   and name HA  ))
 OR {  255}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 16   and name HA  ))
 OR {  255}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 2    and name HA  ))
 OR {  255}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 15   and name HA  ))
 OR {  255}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 5    and name HA  ))
 OR {  255}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 6    and name HA  ))
 OR {  255}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 33   and name HA  ))
 OR {  255}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 13   and name HA  ))
 OR {  255}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 8    and name HA  ))
 OR {  255}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 11   and name HA  ))
 OR {  255}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 42   and name HA  ))
 OR {  255}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 55   and name HA  ))
 OR {  255}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 56   and name HA  ))
 OR {  255}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 60   and name HA  ))
 OR {  255}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 64   and name HA  ))
 OR {  255}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 75   and name HA  ))
 OR {  255}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 77   and name HA  ))
 OR {  255}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 83   and name HA  ))
 ASSI {  256}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 25   and name HE3 ))
      5.100     3.300     0.900 peak   256 spectrum    1 weight  0.10000E+01 volume  0.20112E-03 ppm1      7.725 ppm2      2.925 CV     1
 OR {  256}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 25   and name HE2 ))
 OR {  256}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 21   and name HE3 ))
 OR {  256}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 21   and name HE2 ))
 OR {  256}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 16   and name HE2 ))
 OR {  256}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 16   and name HE3 ))
 OR {  256}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 38   and name HB2 ))
 OR {  256}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 9    and name HB3 ))
 OR {  256}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 71   and name HE2 ))
 OR {  256}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 71   and name HE3 ))
 OR {  256}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 78   and name HE3 ))
 OR {  256}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 78   and name HE2 ))
 OR {  256}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 81   and name HB3 ))
 OR {  256}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 86   and name HE2 ))
 OR {  256}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 86   and name HE3 ))
 ASSI {  257}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 20   and name HB3 ))
      2.600     0.900     0.900 peak   257 spectrum    1 weight  0.10000E+01 volume  0.49450E-03 ppm1      7.731 ppm2      2.602 CV     1
 OR {  257}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 20   and name HB2 ))
 OR {  257}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 35   and name HB2 ))
 OR {  257}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 37   and name HB2 ))
 OR {  257}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 35   and name HB3 ))
 OR {  257}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 9    and name HB2 ))
 OR {  257}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 43   and name HB2 ))
 OR {  257}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 43   and name HB3 ))
 OR {  257}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 10   and name HB3 ))
 OR {  257}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 53   and name HB2 ))
 OR {  257}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 80   and name HB2 ))
 OR {  257}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 87   and name HG2 ))
 ASSI {  258}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 26   and name HB  ))
      4.900     3.000     1.100 peak   258 spectrum    1 weight  0.10000E+01 volume  0.24844E-03 ppm1      7.725 ppm2      2.162 CV     1
 OR {  258}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 17   and name HB2 ))
 OR {  258}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 28   and name HG3 ))
 OR {  258}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 30   and name HG2 ))
 OR {  258}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 30   and name HB3 ))
 OR {  258}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 30   and name HG3 ))
 OR {  258}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 5    and name HB2 ))
 OR {  258}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 32   and name HG3 ))
 OR {  258}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 33   and name HG2 ))
 OR {  258}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 54   and name HB  ))
 OR {  258}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 49   and name HB2 ))
 OR {  258}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 66   and name HG2 ))
 OR {  258}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 69   and name HG2 ))
 OR {  258}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 69   and name HG3 ))
 OR {  258}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 77   and name HB3 ))
 ASSI {  259}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 22   and name HB2 ))
      3.200     1.300     1.300 peak   259 spectrum    1 weight  0.10000E+01 volume  0.15309E-02 ppm1      7.729 ppm2      1.568 CV     1
 OR {  259}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 22   and name HB3 ))
 OR {  259}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {  259}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 21   and name HD2 ))
 OR {  259}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {  259}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 21   and name HD3 ))
 OR {  259}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {  259}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {  259}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 3    and name HG  ))
 OR {  259}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 31   and name HB2 ))
 OR {  259}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 13   and name HG  ))
 OR {  259}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 52   and name HB  ))
 OR {  259}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 45   and name HB3 ))
 OR {  259}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 45   and name HG  ))
 OR {  259}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 47   and name HG  ))
 OR {  259}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 61   and name HB3 ))
 OR {  259}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 70   and name HG3 ))
 OR {  259}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 70   and name HG2 ))
 OR {  259}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {  259}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {  259}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 72   and name HB3 ))
 OR {  259}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 76   and name HB2 ))
 OR {  259}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 76   and name HG  ))
 OR {  259}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 78   and name HD2 ))
 OR {  259}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 78   and name HD3 ))
 OR {  259}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 84   and name HB2 ))
 OR {  259}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 84   and name HB3 ))
 OR {  259}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 84   and name HG  ))
 OR {  259}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {  259}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 85   and name HG3 ))
 OR {  259}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 86   and name HD3 ))
 OR {  259}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 86   and name HD2 ))
 ASSI {  260}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 23   and name HG  ))
      3.200     1.300     1.300 peak   260 spectrum    1 weight  0.10000E+01 volume  0.20939E-02 ppm1      7.729 ppm2      1.424 CV     1
 OR {  260}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 23   and name HB2 ))
 OR {  260}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 22   and name HG  ))
 OR {  260}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 21   and name HG2 ))
 OR {  260}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 25   and name HG2 ))
 OR {  260}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 27   and name HG12))
 OR {  260}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 18   and name HB2 ))
 OR {  260}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 3    and name HB2 ))
 OR {  260}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 3    and name HB3 ))
 OR {  260}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 2    and name HB2 ))
 OR {  260}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 2    and name HB3 ))
 OR {  260}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 2    and name HG  ))
 OR {  260}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 15   and name HG3 ))
 OR {  260}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 15   and name HB2 ))
 OR {  260}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 15   and name HG2 ))
 OR {  260}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 40   and name HB2 ))
 OR {  260}
   (( segid "    " and resid 24   and name H   ))
   (  segid "    " and resid 48   and name HB% )
 OR {  260}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 50   and name HG2 ))
 OR {  260}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 56   and name HG2 ))
 OR {  260}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 61   and name HB2 ))
 OR {  260}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 72   and name HB2 ))
 OR {  260}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 72   and name HG  ))
 OR {  260}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 76   and name HB3 ))
 OR {  260}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 78   and name HG3 ))
 OR {  260}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 79   and name HG  ))
 OR {  260}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 79   and name HB2 ))
 OR {  260}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 86   and name HG3 ))
 ASSI {  261}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 25   and name HB2 ))
      4.700     2.700     1.300 peak   261 spectrum    1 weight  0.10000E+01 volume  0.44482E-03 ppm1      7.728 ppm2      1.995 CV     1
 OR {  261}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 25   and name HB3 ))
 OR {  261}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 28   and name HB2 ))
 OR {  261}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 17   and name HG3 ))
 OR {  261}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 4    and name HG3 ))
 OR {  261}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {  261}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 30   and name HB2 ))
 OR {  261}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 33   and name HB2 ))
 OR {  261}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 12   and name HB3 ))
 OR {  261}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 44   and name HB  ))
 OR {  261}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 49   and name HB3 ))
 OR {  261}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 56   and name HB2 ))
 OR {  261}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 57   and name HB3 ))
 OR {  261}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 59   and name HG2 ))
 OR {  261}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 59   and name HB2 ))
 OR {  261}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 63   and name HB2 ))
 OR {  261}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {  261}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 66   and name HB2 ))
 OR {  261}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 66   and name HB3 ))
 OR {  261}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 69   and name HB3 ))
 OR {  261}
   (( segid "    " and resid 24   and name H   ))
   (  segid "    " and resid 83   and name HE% )
 OR {  261}
   (( segid "    " and resid 24   and name H   ))
   (  segid "    " and resid 87   and name HE% )
 OR {  261}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 83   and name HB3 ))
 OR {  261}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 83   and name HB2 ))
 OR {  261}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 87   and name HB3 ))
 ASSI {  262}
   (( segid "    " and resid 24   and name H   ))
   (  segid "    " and resid 22   and name HD2%)
      4.300     2.400     1.700 peak   262 spectrum    1 weight  0.10000E+01 volume  0.80446E-03 ppm1      7.729 ppm2      0.713 CV     1
 OR {  262}
   (( segid "    " and resid 24   and name H   ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  262}
   (( segid "    " and resid 24   and name H   ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  262}
   (( segid "    " and resid 24   and name H   ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  262}
   (( segid "    " and resid 24   and name H   ))
   (  segid "    " and resid 26   and name HG2%)
 OR {  262}
   (( segid "    " and resid 24   and name H   ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  262}
   (( segid "    " and resid 24   and name H   ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  262}
   (( segid "    " and resid 24   and name H   ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  262}
   (( segid "    " and resid 24   and name H   ))
   (  segid "    " and resid 31   and name HD1%)
 OR {  262}
   (( segid "    " and resid 24   and name H   ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  262}
   (( segid "    " and resid 24   and name H   ))
   (  segid "    " and resid 52   and name HG2%)
 OR {  262}
   (( segid "    " and resid 24   and name H   ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  262}
   (( segid "    " and resid 24   and name H   ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  262}
   (( segid "    " and resid 24   and name H   ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  262}
   (( segid "    " and resid 24   and name H   ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  262}
   (( segid "    " and resid 24   and name H   ))
   (  segid "    " and resid 79   and name HD1%)
 OR {  262}
   (( segid "    " and resid 24   and name H   ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  262}
   (( segid "    " and resid 24   and name H   ))
   (  segid "    " and resid 84   and name HD2%)
 ASSI {  263}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 19   and name H   ))
      3.100     1.200     1.200 peak   263 spectrum    1 weight  0.10000E+01 volume  0.20584E-03 ppm1      7.797 ppm2      8.117 CV     1
 OR {  263}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 7    and name H   ))
 OR {  263}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 65   and name H   ))
 OR {  263}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 79   and name H   ))
 OR {  263}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 84   and name H   ))
 OR {  263}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 85   and name H   ))
 ASSI {  264}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 20   and name HB3 ))
      2.900     1.100     1.100 peak   264 spectrum    1 weight  0.10000E+01 volume  0.26499E-03 ppm1      7.804 ppm2      2.604 CV     1
 OR {  264}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 20   and name HB2 ))
 OR {  264}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 35   and name HB2 ))
 OR {  264}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 37   and name HB2 ))
 OR {  264}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 35   and name HB3 ))
 OR {  264}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 9    and name HB2 ))
 OR {  264}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 43   and name HB2 ))
 OR {  264}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 43   and name HB3 ))
 OR {  264}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 10   and name HB3 ))
 OR {  264}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 53   and name HB2 ))
 OR {  264}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 80   and name HB2 ))
 OR {  264}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 87   and name HG2 ))
 ASSI {  265}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 24   and name HG2 ))
      5.200     3.400     0.800 peak   265 spectrum    1 weight  0.10000E+01 volume  0.37148E-03 ppm1      7.799 ppm2      1.766 CV     1
 OR {  265}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 24   and name HB3 ))
 OR {  265}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 18   and name HG  ))
 OR {  265}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 27   and name HB  ))
 OR {  265}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 17   and name HB3 ))
 OR {  265}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 16   and name HB2 ))
 OR {  265}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 29   and name HB  ))
 OR {  265}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 4    and name HB2 ))
 OR {  265}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 32   and name HB3 ))
 OR {  265}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 41   and name HB3 ))
 OR {  265}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 41   and name HB2 ))
 OR {  265}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {  265}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 50   and name HB2 ))
 OR {  265}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 68   and name HG3 ))
 OR {  265}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 70   and name HB2 ))
 OR {  265}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 70   and name HB3 ))
 OR {  265}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 71   and name HB3 ))
 OR {  265}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 77   and name HB2 ))
 OR {  265}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 78   and name HB2 ))
 OR {  265}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 85   and name HB3 ))
 OR {  265}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 86   and name HB3 ))
 ASSI {  266}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 24   and name HG3 ))
      3.700     1.700     1.700 peak   266 spectrum    1 weight  0.10000E+01 volume  0.51107E-03 ppm1      7.802 ppm2      1.678 CV     1
 OR {  266}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 21   and name HB2 ))
 OR {  266}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 21   and name HB3 ))
 OR {  266}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 25   and name HD3 ))
 OR {  266}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 31   and name HB2 ))
 OR {  266}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 33   and name HB3 ))
 OR {  266}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 45   and name HB3 ))
 OR {  266}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {  266}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 56   and name HG3 ))
 OR {  266}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 68   and name HB3 ))
 OR {  266}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 68   and name HG3 ))
 OR {  266}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 70   and name HB2 ))
 OR {  266}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 71   and name HB2 ))
 OR {  266}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 71   and name HB3 ))
 OR {  266}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 78   and name HB3 ))
 OR {  266}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 78   and name HB2 ))
 OR {  266}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 85   and name HB2 ))
 OR {  266}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 86   and name HB2 ))
 OR {  266}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 86   and name HD3 ))
 OR {  266}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 86   and name HD2 ))
 ASSI {  267}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 23   and name HG  ))
      3.200     1.300     1.300 peak   267 spectrum    1 weight  0.10000E+01 volume  0.29292E-02 ppm1      7.802 ppm2      1.407 CV     1
 OR {  267}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 23   and name HB2 ))
 OR {  267}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 22   and name HG  ))
 OR {  267}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 21   and name HG2 ))
 OR {  267}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 25   and name HG2 ))
 OR {  267}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 2    and name HB2 ))
 OR {  267}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 2    and name HB3 ))
 OR {  267}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 2    and name HG  ))
 OR {  267}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 15   and name HG3 ))
 OR {  267}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 15   and name HB2 ))
 OR {  267}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 15   and name HG2 ))
 OR {  267}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 40   and name HB2 ))
 OR {  267}
   (( segid "    " and resid 23   and name H   ))
   (  segid "    " and resid 48   and name HB% )
 OR {  267}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 50   and name HG2 ))
 OR {  267}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 56   and name HG2 ))
 OR {  267}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 61   and name HB2 ))
 OR {  267}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 72   and name HB2 ))
 OR {  267}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 72   and name HG  ))
 OR {  267}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 78   and name HG3 ))
 OR {  267}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 79   and name HG  ))
 OR {  267}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 79   and name HB2 ))
 OR {  267}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 86   and name HG2 ))
 OR {  267}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 86   and name HG3 ))
 ASSI {  268}
   (( segid "    " and resid 23   and name H   ))
   (  segid "    " and resid 22   and name HD1%)
      4.600     2.600     1.400 peak   268 spectrum    1 weight  0.10000E+01 volume  0.76660E-03 ppm1      7.804 ppm2      0.714 CV     1
 OR {  268}
   (( segid "    " and resid 23   and name H   ))
   (  segid "    " and resid 22   and name HD2%)
 OR {  268}
   (( segid "    " and resid 23   and name H   ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  268}
   (( segid "    " and resid 23   and name H   ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  268}
   (( segid "    " and resid 23   and name H   ))
   (  segid "    " and resid 26   and name HG2%)
 OR {  268}
   (( segid "    " and resid 23   and name H   ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  268}
   (( segid "    " and resid 23   and name H   ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  268}
   (( segid "    " and resid 23   and name H   ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  268}
   (( segid "    " and resid 23   and name H   ))
   (  segid "    " and resid 31   and name HD1%)
 OR {  268}
   (( segid "    " and resid 23   and name H   ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  268}
   (( segid "    " and resid 23   and name H   ))
   (  segid "    " and resid 52   and name HG2%)
 OR {  268}
   (( segid "    " and resid 23   and name H   ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  268}
   (( segid "    " and resid 23   and name H   ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  268}
   (( segid "    " and resid 23   and name H   ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  268}
   (( segid "    " and resid 23   and name H   ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  268}
   (( segid "    " and resid 23   and name H   ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  268}
   (( segid "    " and resid 23   and name H   ))
   (  segid "    " and resid 79   and name HD1%)
 OR {  268}
   (( segid "    " and resid 23   and name H   ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  268}
   (( segid "    " and resid 23   and name H   ))
   (  segid "    " and resid 84   and name HD2%)
 ASSI {  269}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 21   and name HG3 ))
      5.500     3.800     0.500 peak   269 spectrum    1 weight  0.10000E+01 volume  0.25080E-03 ppm1      7.796 ppm2      1.260 CV     1
 OR {  269}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 18   and name HB3 ))
 OR {  269}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 16   and name HG2 ))
 OR {  269}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 16   and name HB3 ))
 OR {  269}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 16   and name HG3 ))
 OR {  269}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 31   and name HB3 ))
 OR {  269}
   (( segid "    " and resid 23   and name H   ))
   (  segid "    " and resid 34   and name HB% )
 OR {  269}
   (( segid "    " and resid 23   and name H   ))
   (  segid "    " and resid 8    and name HB% )
 OR {  269}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 40   and name HG  ))
 OR {  269}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 40   and name HB3 ))
 OR {  269}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 52   and name HG12))
 OR {  269}
   (( segid "    " and resid 23   and name H   ))
   (  segid "    " and resid 54   and name HG2%)
 OR {  269}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 45   and name HB2 ))
 OR {  269}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 54   and name HG12))
 OR {  269}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 50   and name HG3 ))
 OR {  269}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 54   and name HG13))
 OR {  269}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 61   and name HG  ))
 OR {  269}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 71   and name HG2 ))
 OR {  269}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 79   and name HB3 ))
 ASSI {  270}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 21   and name HE3 ))
      4.200     2.200     1.800 peak   270 spectrum    1 weight  0.10000E+01 volume  0.27920E-03 ppm1      7.229 ppm2      2.917 CV     1
 OR {  270}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 21   and name HE2 ))
 OR {  270}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 25   and name HE3 ))
 OR {  270}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 25   and name HE2 ))
 OR {  270}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 16   and name HE2 ))
 OR {  270}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 16   and name HE3 ))
 OR {  270}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 38   and name HB2 ))
 OR {  270}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 9    and name HB3 ))
 OR {  270}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 71   and name HE2 ))
 OR {  270}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 71   and name HE3 ))
 OR {  270}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 78   and name HE3 ))
 OR {  270}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 78   and name HE2 ))
 OR {  270}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 81   and name HB3 ))
 OR {  270}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 86   and name HE2 ))
 OR {  270}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 86   and name HE3 ))
 ASSI {  271}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 23   and name HA  ))
      5.600     3.900     0.400 peak   271 spectrum    1 weight  0.10000E+01 volume  0.39750E-03 ppm1      7.230 ppm2      3.647 CV     1
 OR {  271}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 26   and name HA  ))
 OR {  271}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 17   and name HD3 ))
 OR {  271}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 5    and name HD2 ))
 OR {  271}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 53   and name HB3 ))
 OR {  271}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 56   and name HD2 ))
 OR {  271}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 59   and name HD2 ))
 OR {  271}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 60   and name HB2 ))
 OR {  271}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 88   and name HA2 ))
 OR {  271}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 88   and name HA3 ))
 ASSI {  272}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 24   and name HB2 ))
      5.700     4.100     0.300 peak   272 spectrum    1 weight  0.10000E+01 volume  0.18691E-03 ppm1      7.229 ppm2      1.941 CV     1
 OR {  272}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 25   and name HB2 ))
 OR {  272}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 4    and name HG3 ))
 OR {  272}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {  272}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 30   and name HB2 ))
 OR {  272}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 5    and name HG3 ))
 OR {  272}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 5    and name HG2 ))
 OR {  272}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 32   and name HB2 ))
 OR {  272}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 13   and name HB3 ))
 OR {  272}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 12   and name HB2 ))
 OR {  272}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 12   and name HB3 ))
 OR {  272}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 44   and name HB  ))
 OR {  272}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 49   and name HB3 ))
 OR {  272}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 47   and name HB3 ))
 OR {  272}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 57   and name HB3 ))
 OR {  272}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 59   and name HG2 ))
 OR {  272}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 59   and name HB2 ))
 OR {  272}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 63   and name HB2 ))
 OR {  272}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {  272}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 66   and name HB2 ))
 OR {  272}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 66   and name HB3 ))
 OR {  272}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 68   and name HG2 ))
 OR {  272}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 69   and name HB3 ))
 OR {  272}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 69   and name HB2 ))
 OR {  272}
   (( segid "    " and resid 22   and name H   ))
   (  segid "    " and resid 83   and name HE% )
 OR {  272}
   (( segid "    " and resid 22   and name H   ))
   (  segid "    " and resid 87   and name HE% )
 OR {  272}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 83   and name HB2 ))
 OR {  272}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 87   and name HB3 ))
 ASSI {  273}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 24   and name HB2 ))
      5.800     4.200     0.200 peak   273 spectrum    1 weight  0.10000E+01 volume  0.17272E-03 ppm1      7.233 ppm2      1.895 CV     1
 OR {  273}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 25   and name HB2 ))
 OR {  273}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 17   and name HG2 ))
 OR {  273}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 28   and name HB3 ))
 OR {  273}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 4    and name HG3 ))
 OR {  273}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 4    and name HB2 ))
 OR {  273}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 30   and name HB2 ))
 OR {  273}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 5    and name HG3 ))
 OR {  273}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 5    and name HB3 ))
 OR {  273}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 5    and name HG2 ))
 OR {  273}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 15   and name HB3 ))
 OR {  273}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 32   and name HB2 ))
 OR {  273}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 13   and name HB3 ))
 OR {  273}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 12   and name HB2 ))
 OR {  273}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 41   and name HG3 ))
 OR {  273}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 44   and name HB  ))
 OR {  273}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 50   and name HB3 ))
 OR {  273}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 49   and name HB3 ))
 OR {  273}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 47   and name HB3 ))
 OR {  273}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 56   and name HB3 ))
 OR {  273}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 57   and name HB3 ))
 OR {  273}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 63   and name HB2 ))
 OR {  273}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 66   and name HB2 ))
 OR {  273}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 68   and name HG2 ))
 OR {  273}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 68   and name HB2 ))
 OR {  273}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 69   and name HB2 ))
 OR {  273}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 77   and name HG2 ))
 OR {  273}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 77   and name HG3 ))
 OR {  273}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 83   and name HB2 ))
 OR {  273}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 87   and name HB3 ))
 ASSI {  274}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 24   and name HG2 ))
      5.200     3.400     0.800 peak   274 spectrum    1 weight  0.10000E+01 volume  0.39986E-03 ppm1      7.227 ppm2      1.786 CV     1
 OR {  274}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 24   and name HB3 ))
 OR {  274}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 18   and name HG  ))
 OR {  274}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 27   and name HB  ))
 OR {  274}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 17   and name HB3 ))
 OR {  274}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 28   and name HB3 ))
 OR {  274}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 16   and name HB2 ))
 OR {  274}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 4    and name HB2 ))
 OR {  274}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 29   and name HB  ))
 OR {  274}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 5    and name HB3 ))
 OR {  274}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 15   and name HB3 ))
 OR {  274}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 32   and name HB3 ))
 OR {  274}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 41   and name HB3 ))
 OR {  274}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 41   and name HB2 ))
 OR {  274}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {  274}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 50   and name HB2 ))
 OR {  274}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 56   and name HB3 ))
 OR {  274}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 68   and name HG3 ))
 OR {  274}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 70   and name HB3 ))
 OR {  274}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 71   and name HB3 ))
 OR {  274}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 77   and name HB2 ))
 OR {  274}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 78   and name HB2 ))
 OR {  274}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 85   and name HB3 ))
 OR {  274}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 86   and name HB3 ))
 ASSI {  275}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 21   and name HD2 ))
      2.300     0.700     0.700 peak   275 spectrum    1 weight  0.10000E+01 volume  0.10591E-01 ppm1      7.230 ppm2      1.559 CV     1
 OR {  275}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {  275}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 22   and name HB3 ))
 OR {  275}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 21   and name HD3 ))
 OR {  275}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {  275}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {  275}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 18   and name HB2 ))
 OR {  275}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 3    and name HG  ))
 OR {  275}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {  275}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {  275}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 31   and name HB2 ))
 OR {  275}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 13   and name HG  ))
 OR {  275}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 52   and name HB  ))
 OR {  275}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 45   and name HB3 ))
 OR {  275}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 45   and name HG  ))
 OR {  275}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 47   and name HG  ))
 OR {  275}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 61   and name HB3 ))
 OR {  275}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 70   and name HG3 ))
 OR {  275}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 70   and name HG2 ))
 OR {  275}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {  275}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {  275}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 72   and name HB3 ))
 OR {  275}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 76   and name HB2 ))
 OR {  275}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 76   and name HG  ))
 OR {  275}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 78   and name HD2 ))
 OR {  275}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 78   and name HD3 ))
 OR {  275}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 84   and name HB2 ))
 OR {  275}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 84   and name HB3 ))
 OR {  275}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 84   and name HG  ))
 OR {  275}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {  275}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 85   and name HG3 ))
 OR {  275}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 86   and name HD3 ))
 OR {  275}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 86   and name HD2 ))
 ASSI {  276}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 22   and name HG  ))
      3.500     1.500     1.500 peak   276 spectrum    1 weight  0.10000E+01 volume  0.29292E-02 ppm1      7.230 ppm2      1.413 CV     1
 OR {  276}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 21   and name HG2 ))
 OR {  276}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 23   and name HG  ))
 OR {  276}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 23   and name HB2 ))
 OR {  276}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 25   and name HG2 ))
 OR {  276}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 27   and name HG12))
 OR {  276}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 2    and name HB2 ))
 OR {  276}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 2    and name HG  ))
 OR {  276}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 2    and name HB3 ))
 OR {  276}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 15   and name HG3 ))
 OR {  276}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 15   and name HB2 ))
 OR {  276}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 15   and name HG2 ))
 OR {  276}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 40   and name HB2 ))
 OR {  276}
   (( segid "    " and resid 22   and name H   ))
   (  segid "    " and resid 48   and name HB% )
 OR {  276}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 50   and name HG2 ))
 OR {  276}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 56   and name HG2 ))
 OR {  276}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 61   and name HB2 ))
 OR {  276}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 72   and name HB2 ))
 OR {  276}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 72   and name HG  ))
 OR {  276}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 76   and name HB3 ))
 OR {  276}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 78   and name HG3 ))
 OR {  276}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 79   and name HG  ))
 OR {  276}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 79   and name HB2 ))
 OR {  276}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 86   and name HG3 ))
 ASSI {  277}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 21   and name HG3 ))
      2.900     1.100     1.100 peak   277 spectrum    1 weight  0.10000E+01 volume  0.76898E-03 ppm1      7.232 ppm2      1.282 CV     1
 OR {  277}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 18   and name HB3 ))
 OR {  277}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 16   and name HG2 ))
 OR {  277}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 16   and name HB3 ))
 OR {  277}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 16   and name HG3 ))
 OR {  277}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 31   and name HB3 ))
 OR {  277}
   (( segid "    " and resid 22   and name H   ))
   (  segid "    " and resid 8    and name HB% )
 OR {  277}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 40   and name HG  ))
 OR {  277}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 52   and name HG12))
 OR {  277}
   (( segid "    " and resid 22   and name H   ))
   (  segid "    " and resid 54   and name HG2%)
 OR {  277}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 45   and name HB2 ))
 OR {  277}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 50   and name HG3 ))
 OR {  277}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 54   and name HG12))
 OR {  277}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 54   and name HG13))
 OR {  277}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 61   and name HG  ))
 OR {  277}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 71   and name HG3 ))
 OR {  277}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 71   and name HG2 ))
 OR {  277}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 78   and name HG2 ))
 OR {  277}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 79   and name HB3 ))
 OR {  277}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 86   and name HG2 ))
 ASSI {  278}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 23   and name HB3 ))
      4.600     2.600     1.400 peak   278 spectrum    1 weight  0.10000E+01 volume  0.53472E-03 ppm1      7.228 ppm2      0.843 CV     1
 OR {  278}
   (( segid "    " and resid 22   and name H   ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  278}
   (( segid "    " and resid 22   and name H   ))
   (  segid "    " and resid 3    and name HD1%)
 OR {  278}
   (( segid "    " and resid 22   and name H   ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  278}
   (( segid "    " and resid 22   and name H   ))
   (  segid "    " and resid 27   and name HG2%)
 OR {  278}
   (( segid "    " and resid 22   and name H   ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  278}
   (( segid "    " and resid 22   and name H   ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  278}
   (( segid "    " and resid 22   and name H   ))
   (  segid "    " and resid 13   and name HD1%)
 OR {  278}
   (( segid "    " and resid 22   and name H   ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  278}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 52   and name HG13))
 OR {  278}
   (( segid "    " and resid 22   and name H   ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  278}
   (( segid "    " and resid 22   and name H   ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  278}
   (( segid "    " and resid 22   and name H   ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  278}
   (( segid "    " and resid 22   and name H   ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  278}
   (( segid "    " and resid 22   and name H   ))
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  279}
   (( segid "    " and resid 22   and name H   ))
   (  segid "    " and resid 22   and name HD1%)
      3.900     1.900     1.900 peak   279 spectrum    1 weight  0.10000E+01 volume  0.16657E-02 ppm1      7.230 ppm2      0.719 CV     1
 OR {  279}
   (( segid "    " and resid 22   and name H   ))
   (  segid "    " and resid 22   and name HD2%)
 OR {  279}
   (( segid "    " and resid 22   and name H   ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  279}
   (( segid "    " and resid 22   and name H   ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  279}
   (( segid "    " and resid 22   and name H   ))
   (  segid "    " and resid 26   and name HG2%)
 OR {  279}
   (( segid "    " and resid 22   and name H   ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  279}
   (( segid "    " and resid 22   and name H   ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  279}
   (( segid "    " and resid 22   and name H   ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  279}
   (( segid "    " and resid 22   and name H   ))
   (  segid "    " and resid 31   and name HD1%)
 OR {  279}
   (( segid "    " and resid 22   and name H   ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  279}
   (( segid "    " and resid 22   and name H   ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  279}
   (( segid "    " and resid 22   and name H   ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  279}
   (( segid "    " and resid 22   and name H   ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  279}
   (( segid "    " and resid 22   and name H   ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  279}
   (( segid "    " and resid 22   and name H   ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  279}
   (( segid "    " and resid 22   and name H   ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  279}
   (( segid "    " and resid 22   and name H   ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  279}
   (( segid "    " and resid 22   and name H   ))
   (  segid "    " and resid 79   and name HD1%)
 OR {  279}
   (( segid "    " and resid 22   and name H   ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  279}
   (( segid "    " and resid 22   and name H   ))
   (  segid "    " and resid 84   and name HD2%)
 ASSI {  280}
   (( segid "    " and resid 22   and name H   ))
   (  segid "    " and resid 23   and name HD1%)
      5.800     4.300     0.200 peak   280 spectrum    1 weight  0.10000E+01 volume  0.35964E-03 ppm1      7.230 ppm2      0.482 CV     1
 OR {  280}
   (( segid "    " and resid 22   and name H   ))
   (  segid "    " and resid 29   and name HG2%)
 OR {  280}
   (( segid "    " and resid 22   and name H   ))
   (  segid "    " and resid 52   and name HD1%)
 OR {  280}
   (( segid "    " and resid 22   and name H   ))
   (  segid "    " and resid 61   and name HD1%)
 ASSI {  282}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 19   and name H   ))
      2.600     0.900     0.900 peak   282 spectrum    1 weight  0.10000E+01 volume  0.51579E-03 ppm1      7.229 ppm2      8.124 CV     1
 OR {  282}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 7    and name H   ))
 OR {  282}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 65   and name H   ))
 OR {  282}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 79   and name H   ))
 OR {  282}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 85   and name H   ))
 ASSI {  283}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 22   and name HA  ))
      5.100     3.200     0.900 peak   283 spectrum    1 weight  0.10000E+01 volume  0.72165E-03 ppm1      7.904 ppm2      4.001 CV     1
 OR {  283}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 36   and name HA3 ))
 OR {  283}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 48   and name HA  ))
 OR {  283}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 59   and name HD3 ))
 OR {  283}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 61   and name HA  ))
 OR {  283}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 66   and name HA  ))
 OR {  283}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 68   and name HA  ))
 OR {  283}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 69   and name HA  ))
 OR {  283}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 74   and name HA2 ))
 ASSI {  284}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 24   and name HG2 ))
      4.400     2.400     1.600 peak   284 spectrum    1 weight  0.10000E+01 volume  0.47557E-03 ppm1      7.905 ppm2      1.796 CV     1
 OR {  284}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 18   and name HG  ))
 OR {  284}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 24   and name HB3 ))
 OR {  284}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 17   and name HG2 ))
 OR {  284}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 17   and name HB3 ))
 OR {  284}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 27   and name HB  ))
 OR {  284}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 16   and name HB2 ))
 OR {  284}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 28   and name HB3 ))
 OR {  284}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 4    and name HB2 ))
 OR {  284}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 29   and name HB  ))
 OR {  284}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 15   and name HB3 ))
 OR {  284}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 5    and name HB3 ))
 OR {  284}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 32   and name HB3 ))
 OR {  284}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 41   and name HB3 ))
 OR {  284}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 41   and name HB2 ))
 OR {  284}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {  284}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 50   and name HB2 ))
 OR {  284}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 56   and name HB3 ))
 OR {  284}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 68   and name HG3 ))
 OR {  284}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 70   and name HB3 ))
 OR {  284}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 77   and name HB2 ))
 OR {  284}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 85   and name HB3 ))
 OR {  284}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 86   and name HB3 ))
 ASSI {  285}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 21   and name HD2 ))
      3.900     1.900     1.900 peak   285 spectrum    1 weight  0.10000E+01 volume  0.20751E-02 ppm1      7.905 ppm2      1.564 CV     1
 OR {  285}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 21   and name HD3 ))
 OR {  285}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {  285}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 22   and name HB3 ))
 OR {  285}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {  285}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {  285}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 3    and name HG  ))
 OR {  285}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {  285}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {  285}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 31   and name HB2 ))
 OR {  285}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 13   and name HG  ))
 OR {  285}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 52   and name HB  ))
 OR {  285}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 45   and name HB3 ))
 OR {  285}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 45   and name HG  ))
 OR {  285}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 47   and name HG  ))
 OR {  285}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 61   and name HB3 ))
 OR {  285}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 70   and name HG3 ))
 OR {  285}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 70   and name HG2 ))
 OR {  285}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {  285}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {  285}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 72   and name HB3 ))
 OR {  285}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 76   and name HB2 ))
 OR {  285}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 76   and name HG  ))
 OR {  285}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 78   and name HD2 ))
 OR {  285}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 78   and name HD3 ))
 OR {  285}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 84   and name HB2 ))
 OR {  285}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 84   and name HB3 ))
 OR {  285}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 84   and name HG  ))
 OR {  285}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {  285}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 85   and name HG3 ))
 OR {  285}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 86   and name HD3 ))
 OR {  285}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 86   and name HD2 ))
 ASSI {  286}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 23   and name HB3 ))
      5.200     3.400     0.800 peak   286 spectrum    1 weight  0.10000E+01 volume  0.18455E-03 ppm1      7.904 ppm2      0.835 CV     1
 OR {  286}
   (( segid "    " and resid 21   and name H   ))
   (  segid "    " and resid 3    and name HD1%)
 OR {  286}
   (( segid "    " and resid 21   and name H   ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  286}
   (( segid "    " and resid 21   and name H   ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  286}
   (( segid "    " and resid 21   and name H   ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  286}
   (( segid "    " and resid 21   and name H   ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  286}
   (( segid "    " and resid 21   and name H   ))
   (  segid "    " and resid 27   and name HG2%)
 OR {  286}
   (( segid "    " and resid 21   and name H   ))
   (  segid "    " and resid 13   and name HD1%)
 OR {  286}
   (( segid "    " and resid 21   and name H   ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  286}
   (( segid "    " and resid 21   and name H   ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  286}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 52   and name HG13))
 OR {  286}
   (( segid "    " and resid 21   and name H   ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  286}
   (( segid "    " and resid 21   and name H   ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  286}
   (( segid "    " and resid 21   and name H   ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  286}
   (( segid "    " and resid 21   and name H   ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  286}
   (( segid "    " and resid 21   and name H   ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  286}
   (( segid "    " and resid 21   and name H   ))
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  287}
   (( segid "    " and resid 21   and name H   ))
   (  segid "    " and resid 22   and name HD1%)
      4.300     2.400     1.700 peak   287 spectrum    1 weight  0.10000E+01 volume  0.45428E-03 ppm1      7.905 ppm2      0.725 CV     1
 OR {  287}
   (( segid "    " and resid 21   and name H   ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  287}
   (( segid "    " and resid 21   and name H   ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  287}
   (( segid "    " and resid 21   and name H   ))
   (  segid "    " and resid 22   and name HD2%)
 OR {  287}
   (( segid "    " and resid 21   and name H   ))
   (  segid "    " and resid 26   and name HG2%)
 OR {  287}
   (( segid "    " and resid 21   and name H   ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  287}
   (( segid "    " and resid 21   and name H   ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  287}
   (( segid "    " and resid 21   and name H   ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  287}
   (( segid "    " and resid 21   and name H   ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  287}
   (( segid "    " and resid 21   and name H   ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  287}
   (( segid "    " and resid 21   and name H   ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  287}
   (( segid "    " and resid 21   and name H   ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  287}
   (( segid "    " and resid 21   and name H   ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  287}
   (( segid "    " and resid 21   and name H   ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  287}
   (( segid "    " and resid 21   and name H   ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  287}
   (( segid "    " and resid 21   and name H   ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  287}
   (( segid "    " and resid 21   and name H   ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  287}
   (( segid "    " and resid 21   and name H   ))
   (  segid "    " and resid 79   and name HD1%)
 OR {  287}
   (( segid "    " and resid 21   and name H   ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  287}
   (( segid "    " and resid 21   and name H   ))
   (  segid "    " and resid 84   and name HD2%)
 ASSI {  288}
   (( segid "    " and resid 21   and name H   ))
   (  segid "    " and resid 23   and name HD1%)
      5.900     4.300     0.100 peak   288 spectrum    1 weight  0.10000E+01 volume  0.23662E-03 ppm1      7.903 ppm2      0.478 CV     1
 OR {  288}
   (( segid "    " and resid 21   and name H   ))
   (  segid "    " and resid 29   and name HG2%)
 OR {  288}
   (( segid "    " and resid 21   and name H   ))
   (  segid "    " and resid 52   and name HD1%)
 OR {  288}
   (( segid "    " and resid 21   and name H   ))
   (  segid "    " and resid 61   and name HD1%)
 ASSI {  289}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 24   and name HG3 ))
      4.000     2.000     2.000 peak   289 spectrum    1 weight  0.10000E+01 volume  0.58679E-03 ppm1      8.877 ppm2      1.671 CV     1
 OR {  289}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 21   and name HB3 ))
 OR {  289}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 21   and name HB2 ))
 OR {  289}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 25   and name HD3 ))
 OR {  289}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 31   and name HB2 ))
 OR {  289}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 33   and name HB3 ))
 OR {  289}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 45   and name HB3 ))
 OR {  289}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {  289}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 56   and name HG3 ))
 OR {  289}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 68   and name HB3 ))
 OR {  289}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 68   and name HG3 ))
 OR {  289}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 70   and name HB2 ))
 OR {  289}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 71   and name HB2 ))
 OR {  289}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 71   and name HB3 ))
 OR {  289}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 78   and name HB3 ))
 OR {  289}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 78   and name HB2 ))
 OR {  289}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 78   and name HD2 ))
 OR {  289}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 78   and name HD3 ))
 OR {  289}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 85   and name HB2 ))
 OR {  289}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 86   and name HB2 ))
 OR {  289}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 86   and name HD3 ))
 OR {  289}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 86   and name HD2 ))
 ASSI {  290}
   (( segid "    " and resid 20   and name H   ))
   (  segid "    " and resid 23   and name HD1%)
      4.900     3.000     1.100 peak   290 spectrum    1 weight  0.10000E+01 volume  0.29576E-03 ppm1      8.878 ppm2      0.459 CV     1
 OR {  290}
   (( segid "    " and resid 20   and name H   ))
   (  segid "    " and resid 29   and name HG2%)
 OR {  290}
   (( segid "    " and resid 20   and name H   ))
   (  segid "    " and resid 52   and name HD1%)
 OR {  290}
   (( segid "    " and resid 20   and name H   ))
   (  segid "    " and resid 44   and name HG1%)
 OR {  290}
   (( segid "    " and resid 20   and name H   ))
   (  segid "    " and resid 61   and name HD1%)
 ASSI {  291}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 18   and name HB2 ))
      3.900     1.900     1.900 peak   291 spectrum    1 weight  0.10000E+01 volume  0.56786E-03 ppm1      8.877 ppm2      1.444 CV     1
 OR {  291}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 22   and name HG  ))
 OR {  291}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 21   and name HG2 ))
 OR {  291}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 23   and name HB2 ))
 OR {  291}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 23   and name HG  ))
 OR {  291}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 27   and name HG12))
 OR {  291}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 25   and name HG2 ))
 OR {  291}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 3    and name HB2 ))
 OR {  291}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 3    and name HB3 ))
 OR {  291}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 2    and name HB2 ))
 OR {  291}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 2    and name HB3 ))
 OR {  291}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 2    and name HG  ))
 OR {  291}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 15   and name HG3 ))
 OR {  291}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 15   and name HB2 ))
 OR {  291}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 15   and name HG2 ))
 OR {  291}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 40   and name HB2 ))
 OR {  291}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 52   and name HB  ))
 OR {  291}
   (( segid "    " and resid 20   and name H   ))
   (  segid "    " and resid 48   and name HB% )
 OR {  291}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 50   and name HG2 ))
 OR {  291}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 56   and name HG2 ))
 OR {  291}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 61   and name HB2 ))
 OR {  291}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 72   and name HB2 ))
 OR {  291}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 72   and name HB3 ))
 OR {  291}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 72   and name HG  ))
 OR {  291}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 76   and name HB3 ))
 OR {  291}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 78   and name HG3 ))
 OR {  291}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 79   and name HG  ))
 OR {  291}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 79   and name HB2 ))
 OR {  291}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 84   and name HB2 ))
 OR {  291}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 86   and name HG3 ))
 ASSI {  292}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 18   and name HB3 ))
      3.600     1.600     1.600 peak   292 spectrum    1 weight  0.10000E+01 volume  0.26973E-03 ppm1      8.877 ppm2      1.281 CV     1
 OR {  292}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 21   and name HG3 ))
 OR {  292}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 16   and name HG2 ))
 OR {  292}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 16   and name HG3 ))
 OR {  292}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 16   and name HB3 ))
 OR {  292}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 31   and name HB3 ))
 OR {  292}
   (( segid "    " and resid 20   and name H   ))
   (  segid "    " and resid 8    and name HB% )
 OR {  292}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 40   and name HG  ))
 OR {  292}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 52   and name HG12))
 OR {  292}
   (( segid "    " and resid 20   and name H   ))
   (  segid "    " and resid 54   and name HG2%)
 OR {  292}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 45   and name HB2 ))
 OR {  292}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 50   and name HG3 ))
 OR {  292}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 54   and name HG12))
 OR {  292}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 54   and name HG13))
 OR {  292}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 61   and name HG  ))
 OR {  292}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 71   and name HG3 ))
 OR {  292}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 71   and name HG2 ))
 OR {  292}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 78   and name HG2 ))
 OR {  292}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 79   and name HB3 ))
 OR {  292}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 86   and name HG2 ))
 ASSI {  293}
   (( segid "    " and resid 19   and name H   ))
   (  segid "    " and resid 18   and name HD2%)
      2.900     1.100     1.100 peak   293 spectrum    1 weight  0.10000E+01 volume  0.92277E-03 ppm1      8.129 ppm2      0.719 CV     1
 OR {  293}
   (( segid "    " and resid 19   and name H   ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  293}
   (( segid "    " and resid 19   and name H   ))
   (  segid "    " and resid 26   and name HG2%)
 OR {  293}
   (( segid "    " and resid 19   and name H   ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  293}
   (( segid "    " and resid 19   and name H   ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  293}
   (( segid "    " and resid 19   and name H   ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  293}
   (( segid "    " and resid 19   and name H   ))
   (  segid "    " and resid 22   and name HD2%)
 OR {  293}
   (( segid "    " and resid 19   and name H   ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  293}
   (( segid "    " and resid 19   and name H   ))
   (  segid "    " and resid 31   and name HD1%)
 OR {  293}
   (( segid "    " and resid 19   and name H   ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  293}
   (( segid "    " and resid 19   and name H   ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  293}
   (( segid "    " and resid 19   and name H   ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  293}
   (( segid "    " and resid 19   and name H   ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  293}
   (( segid "    " and resid 19   and name H   ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  293}
   (( segid "    " and resid 19   and name H   ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  293}
   (( segid "    " and resid 19   and name H   ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  293}
   (( segid "    " and resid 19   and name H   ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  293}
   (( segid "    " and resid 19   and name H   ))
   (  segid "    " and resid 79   and name HD1%)
 OR {  293}
   (( segid "    " and resid 19   and name H   ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  293}
   (( segid "    " and resid 19   and name H   ))
   (  segid "    " and resid 84   and name HD2%)
 ASSI {  294}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 29   and name H   ))
      4.500     2.500     1.500 peak   294 spectrum    1 weight  0.10000E+01 volume  0.24370E-03 ppm1      8.450 ppm2      8.688 CV     1
 OR {  294}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 42   and name H   ))
 OR {  294}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 52   and name H   ))
 OR {  294}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 47   and name H   ))
 OR {  294}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 60   and name H   ))
 ASSI {  295}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 28   and name HE21))
      4.700     2.800     1.300 peak   295 spectrum    1 weight  0.10000E+01 volume  0.25553E-03 ppm1      8.451 ppm2      7.375 CV     1
 OR {  295}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 24   and name HE  ))
 OR {  295}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 58   and name HD21))
 OR {  295}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 63   and name HE21))
 ASSI {  296}
   (( segid "    " and resid 18   and name H   ))
   (  segid "    " and resid 14   and name HE% )
      4.400     2.400     1.600 peak   296 spectrum    1 weight  0.10000E+01 volume  0.23662E-03 ppm1      8.449 ppm2      6.684 CV     1
 OR {  296}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 28   and name HE22))
 OR {  296}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 64   and name HZ3 ))
 ASSI {  297}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 19   and name HA  ))
      3.700     1.700     1.700 peak   297 spectrum    1 weight  0.10000E+01 volume  0.56550E-03 ppm1      8.450 ppm2      4.354 CV     1
 OR {  297}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 2    and name HA  ))
 OR {  297}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 16   and name HA  ))
 OR {  297}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 15   and name HA  ))
 OR {  297}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 25   and name HA  ))
 OR {  297}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 5    and name HA  ))
 OR {  297}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 6    and name HA  ))
 OR {  297}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 13   and name HA  ))
 OR {  297}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 33   and name HA  ))
 OR {  297}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 8    and name HA  ))
 OR {  297}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 11   and name HA  ))
 OR {  297}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 40   and name HA  ))
 OR {  297}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 42   and name HA  ))
 OR {  297}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 55   and name HA  ))
 OR {  297}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 56   and name HA  ))
 OR {  297}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 59   and name HA  ))
 OR {  297}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 60   and name HA  ))
 OR {  297}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 75   and name HA  ))
 OR {  297}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 77   and name HA  ))
 OR {  297}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 83   and name HA  ))
 ASSI {  298}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 19   and name HB3 ))
      3.900     1.900     1.900 peak   298 spectrum    1 weight  0.10000E+01 volume  0.10458E-02 ppm1      8.450 ppm2      3.907 CV     1
 OR {  298}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 6    and name HB3 ))
 OR {  298}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 34   and name HA  ))
 OR {  298}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 60   and name HB3 ))
 OR {  298}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 62   and name HB2 ))
 OR {  298}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 62   and name HB3 ))
 OR {  298}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 74   and name HA3 ))
 OR {  298}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 74   and name HA2 ))
 ASSI {  299}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 17   and name HB3 ))
      3.600     1.600     1.600 peak   299 spectrum    1 weight  0.10000E+01 volume  0.38260E-02 ppm1      8.451 ppm2      1.753 CV     1
 OR {  299}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 18   and name HG  ))
 OR {  299}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 27   and name HB  ))
 OR {  299}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 16   and name HB2 ))
 OR {  299}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 24   and name HB3 ))
 OR {  299}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 24   and name HG3 ))
 OR {  299}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 24   and name HG2 ))
 OR {  299}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 29   and name HB  ))
 OR {  299}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 32   and name HB3 ))
 OR {  299}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 41   and name HB3 ))
 OR {  299}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 41   and name HB2 ))
 OR {  299}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {  299}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 50   and name HB2 ))
 OR {  299}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 56   and name HG3 ))
 OR {  299}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 68   and name HG3 ))
 OR {  299}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 70   and name HB2 ))
 OR {  299}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 70   and name HB3 ))
 OR {  299}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 71   and name HB3 ))
 OR {  299}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 77   and name HB2 ))
 OR {  299}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 78   and name HB2 ))
 OR {  299}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 85   and name HB3 ))
 OR {  299}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 86   and name HB2 ))
 OR {  299}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 86   and name HB3 ))
 ASSI {  300}
   (( segid "    " and resid 18   and name H   ))
   (  segid "    " and resid 18   and name HD2%)
      3.700     1.700     1.700 peak   300 spectrum    1 weight  0.10000E+01 volume  0.23211E-02 ppm1      8.450 ppm2      0.705 CV     1
 OR {  300}
   (( segid "    " and resid 18   and name H   ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  300}
   (( segid "    " and resid 18   and name H   ))
   (  segid "    " and resid 26   and name HG2%)
 OR {  300}
   (( segid "    " and resid 18   and name H   ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  300}
   (( segid "    " and resid 18   and name H   ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  300}
   (( segid "    " and resid 18   and name H   ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  300}
   (( segid "    " and resid 18   and name H   ))
   (  segid "    " and resid 31   and name HD1%)
 OR {  300}
   (( segid "    " and resid 18   and name H   ))
   (  segid "    " and resid 22   and name HD2%)
 OR {  300}
   (( segid "    " and resid 18   and name H   ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  300}
   (( segid "    " and resid 18   and name H   ))
   (  segid "    " and resid 52   and name HG2%)
 OR {  300}
   (( segid "    " and resid 18   and name H   ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  300}
   (( segid "    " and resid 18   and name H   ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  300}
   (( segid "    " and resid 18   and name H   ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  300}
   (( segid "    " and resid 18   and name H   ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  300}
   (( segid "    " and resid 18   and name H   ))
   (  segid "    " and resid 79   and name HD1%)
 OR {  300}
   (( segid "    " and resid 18   and name H   ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  300}
   (( segid "    " and resid 18   and name H   ))
   (  segid "    " and resid 84   and name HD2%)
 ASSI {  301}
   (( segid "    " and resid 18   and name H   ))
   (  segid "    " and resid 29   and name HG2%)
      2.900     1.000     1.000 peak   301 spectrum    1 weight  0.10000E+01 volume  0.30049E-03 ppm1      8.450 ppm2      0.479 CV     1
 OR {  301}
   (( segid "    " and resid 18   and name H   ))
   (  segid "    " and resid 23   and name HD1%)
 OR {  301}
   (( segid "    " and resid 18   and name H   ))
   (  segid "    " and resid 52   and name HD1%)
 OR {  301}
   (( segid "    " and resid 18   and name H   ))
   (  segid "    " and resid 61   and name HD1%)
 ASSI {  303}
   (( segid "    " and resid 14   and name H   ))
   (  segid "    " and resid 14   and name HD% )
      4.100     2.100     1.900 peak   303 spectrum    1 weight  0.10000E+01 volume  0.75477E-03 ppm1      8.917 ppm2      7.047 CV     1
 OR {  303}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 15   and name HE  ))
 OR {  303}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 32   and name HE22))
 OR {  303}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 40   and name H   ))
 OR {  303}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 39   and name HD2 ))
 OR {  303}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 43   and name HZ  ))
 OR {  303}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 50   and name HE  ))
 OR {  303}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 55   and name HD2 ))
 OR {  303}
   (( segid "    " and resid 14   and name H   ))
   (  segid "    " and resid 65   and name HE% )
 OR {  303}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 64   and name HE3 ))
 OR {  303}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 67   and name HD2 ))
 OR {  303}
   (( segid "    " and resid 14   and name H   ))
   (  segid "    " and resid 81   and name HD% )
 ASSI {  304}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 30   and name HA  ))
      3.600     1.600     1.600 peak   304 spectrum    1 weight  0.10000E+01 volume  0.13297E-02 ppm1      8.918 ppm2      4.797 CV     1
 OR {  304}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 54   and name HA  ))
 OR {  304}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 47   and name HA  ))
 OR {  304}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI {  305}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 15   and name HD2 ))
      4.800     2.900     1.200 peak   305 spectrum    1 weight  0.10000E+01 volume  0.29576E-03 ppm1      8.922 ppm2      2.844 CV     1
 OR {  305}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 15   and name HD3 ))
 OR {  305}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 38   and name HB2 ))
 OR {  305}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 9    and name HB3 ))
 OR {  305}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 16   and name HE2 ))
 OR {  305}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 16   and name HE3 ))
 OR {  305}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 55   and name HB2 ))
 OR {  305}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 58   and name HB2 ))
 OR {  305}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 71   and name HE3 ))
 OR {  305}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 71   and name HE2 ))
 OR {  305}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 81   and name HB3 ))
 ASSI {  306}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 37   and name HB2 ))
      3.900     1.900     1.900 peak   306 spectrum    1 weight  0.10000E+01 volume  0.38567E-03 ppm1      8.916 ppm2      2.674 CV     1
 OR {  306}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 35   and name HB3 ))
 OR {  306}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 9    and name HB2 ))
 OR {  306}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 10   and name HB2 ))
 OR {  306}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 53   and name HB2 ))
 OR {  306}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 20   and name HB2 ))
 OR {  306}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 20   and name HB3 ))
 OR {  306}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 55   and name HB3 ))
 OR {  306}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 80   and name HB2 ))
 ASSI {  307}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 12   and name HG3 ))
      3.700     1.700     1.700 peak   307 spectrum    1 weight  0.10000E+01 volume  0.20584E-03 ppm1      8.916 ppm2      2.227 CV     1
 OR {  307}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 5    and name HB2 ))
 OR {  307}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 12   and name HG2 ))
 OR {  307}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 4    and name HB3 ))
 OR {  307}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 33   and name HG2 ))
 OR {  307}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 32   and name HG2 ))
 OR {  307}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 30   and name HG2 ))
 OR {  307}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 28   and name HG3 ))
 OR {  307}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 17   and name HB2 ))
 OR {  307}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 28   and name HG2 ))
 OR {  307}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 26   and name HB  ))
 OR {  307}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 54   and name HB  ))
 OR {  307}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 49   and name HB2 ))
 OR {  307}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 49   and name HG3 ))
 OR {  307}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 49   and name HG2 ))
 OR {  307}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 63   and name HG3 ))
 OR {  307}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 63   and name HG2 ))
 OR {  307}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 66   and name HG3 ))
 OR {  307}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 69   and name HG3 ))
 OR {  307}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 77   and name HB3 ))
 ASSI {  308}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 31   and name HB3 ))
      4.300     2.300     1.700 peak   308 spectrum    1 weight  0.10000E+01 volume  0.61991E-03 ppm1      8.918 ppm2      1.230 CV     1
 OR {  308}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 16   and name HB3 ))
 OR {  308}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 16   and name HG3 ))
 OR {  308}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 16   and name HG2 ))
 OR {  308}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 40   and name HG  ))
 OR {  308}
   (( segid "    " and resid 14   and name H   ))
   (  segid "    " and resid 34   and name HB% )
 OR {  308}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 40   and name HB3 ))
 OR {  308}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 18   and name HB3 ))
 OR {  308}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 52   and name HG12))
 OR {  308}
   (( segid "    " and resid 14   and name H   ))
   (  segid "    " and resid 54   and name HG2%)
 OR {  308}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 45   and name HB2 ))
 OR {  308}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 54   and name HG12))
 OR {  308}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 54   and name HG13))
 OR {  308}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 50   and name HG3 ))
 OR {  308}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 21   and name HG3 ))
 OR {  308}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 61   and name HG  ))
 OR {  308}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 71   and name HG2 ))
 OR {  308}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 79   and name HB3 ))
 ASSI {  309}
   (( segid "    " and resid 14   and name H   ))
   (  segid "    " and resid 29   and name HG1%)
      4.100     2.100     1.900 peak   309 spectrum    1 weight  0.10000E+01 volume  0.94170E-03 ppm1      8.920 ppm2      0.784 CV     1
 OR {  309}
   (( segid "    " and resid 14   and name H   ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  309}
   (( segid "    " and resid 14   and name H   ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  309}
   (( segid "    " and resid 14   and name H   ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  309}
   (( segid "    " and resid 14   and name H   ))
   (  segid "    " and resid 3    and name HD1%)
 OR {  309}
   (( segid "    " and resid 14   and name H   ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  309}
   (( segid "    " and resid 14   and name H   ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  309}
   (( segid "    " and resid 14   and name H   ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  309}
   (( segid "    " and resid 14   and name H   ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  309}
   (( segid "    " and resid 14   and name H   ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  309}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 52   and name HG13))
 OR {  309}
   (( segid "    " and resid 14   and name H   ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  309}
   (( segid "    " and resid 14   and name H   ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  309}
   (( segid "    " and resid 14   and name H   ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  309}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {  309}
   (( segid "    " and resid 14   and name H   ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  309}
   (( segid "    " and resid 14   and name H   ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  309}
   (( segid "    " and resid 14   and name H   ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  309}
   (( segid "    " and resid 14   and name H   ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  309}
   (( segid "    " and resid 14   and name H   ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  309}
   (( segid "    " and resid 14   and name H   ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  309}
   (( segid "    " and resid 14   and name H   ))
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  310}
   (( segid "    " and resid 13   and name H   ))
   (( segid "    " and resid 38   and name HB2 ))
      3.300     1.300     1.300 peak   310 spectrum    1 weight  0.10000E+01 volume  0.26737E-03 ppm1      8.556 ppm2      2.842 CV     1
 OR {  310}
   (( segid "    " and resid 13   and name H   ))
   (( segid "    " and resid 9    and name HB3 ))
 OR {  310}
   (( segid "    " and resid 13   and name H   ))
   (( segid "    " and resid 15   and name HD2 ))
 OR {  310}
   (( segid "    " and resid 13   and name H   ))
   (( segid "    " and resid 15   and name HD3 ))
 OR {  310}
   (( segid "    " and resid 13   and name H   ))
   (( segid "    " and resid 16   and name HE3 ))
 OR {  310}
   (( segid "    " and resid 13   and name H   ))
   (( segid "    " and resid 16   and name HE2 ))
 OR {  310}
   (( segid "    " and resid 13   and name H   ))
   (( segid "    " and resid 55   and name HB2 ))
 OR {  310}
   (( segid "    " and resid 13   and name H   ))
   (( segid "    " and resid 58   and name HB2 ))
 OR {  310}
   (( segid "    " and resid 13   and name H   ))
   (( segid "    " and resid 71   and name HE2 ))
 OR {  310}
   (( segid "    " and resid 13   and name H   ))
   (( segid "    " and resid 71   and name HE3 ))
 OR {  310}
   (( segid "    " and resid 13   and name H   ))
   (( segid "    " and resid 81   and name HB3 ))
 ASSI {  311}
   (( segid "    " and resid 13   and name H   ))
   (( segid "    " and resid 35   and name HB3 ))
      4.900     3.000     1.100 peak   311 spectrum    1 weight  0.10000E+01 volume  0.26499E-03 ppm1      8.553 ppm2      2.666 CV     1
 OR {  311}
   (( segid "    " and resid 13   and name H   ))
   (( segid "    " and resid 37   and name HB2 ))
 OR {  311}
   (( segid "    " and resid 13   and name H   ))
   (( segid "    " and resid 9    and name HB2 ))
 OR {  311}
   (( segid "    " and resid 13   and name H   ))
   (( segid "    " and resid 43   and name HB2 ))
 OR {  311}
   (( segid "    " and resid 13   and name H   ))
   (( segid "    " and resid 43   and name HB3 ))
 OR {  311}
   (( segid "    " and resid 13   and name H   ))
   (( segid "    " and resid 53   and name HB2 ))
 OR {  311}
   (( segid "    " and resid 13   and name H   ))
   (( segid "    " and resid 55   and name HB3 ))
 OR {  311}
   (( segid "    " and resid 13   and name H   ))
   (( segid "    " and resid 20   and name HB2 ))
 OR {  311}
   (( segid "    " and resid 13   and name H   ))
   (( segid "    " and resid 20   and name HB3 ))
 OR {  311}
   (( segid "    " and resid 13   and name H   ))
   (( segid "    " and resid 80   and name HB2 ))
 ASSI {  312}
   (( segid "    " and resid 13   and name H   ))
   (  segid "    " and resid 29   and name HG1%)
      3.900     1.900     1.900 peak   312 spectrum    1 weight  0.10000E+01 volume  0.55129E-03 ppm1      8.555 ppm2      0.759 CV     1
 OR {  312}
   (( segid "    " and resid 13   and name H   ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  312}
   (( segid "    " and resid 13   and name H   ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  312}
   (( segid "    " and resid 13   and name H   ))
   (( segid "    " and resid 52   and name HG13))
 OR {  312}
   (( segid "    " and resid 13   and name H   ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  312}
   (( segid "    " and resid 13   and name H   ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  312}
   (( segid "    " and resid 13   and name H   ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  312}
   (( segid "    " and resid 13   and name H   ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  312}
   (( segid "    " and resid 13   and name H   ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  312}
   (( segid "    " and resid 13   and name H   ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  312}
   (( segid "    " and resid 13   and name H   ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  312}
   (( segid "    " and resid 13   and name H   ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  312}
   (( segid "    " and resid 13   and name H   ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  312}
   (( segid "    " and resid 13   and name H   ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  312}
   (( segid "    " and resid 13   and name H   ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  312}
   (( segid "    " and resid 13   and name H   ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  312}
   (( segid "    " and resid 13   and name H   ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  312}
   (( segid "    " and resid 13   and name H   ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  312}
   (( segid "    " and resid 13   and name H   ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  312}
   (( segid "    " and resid 13   and name H   ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  312}
   (( segid "    " and resid 13   and name H   ))
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  313}
   (( segid "    " and resid 13   and name H   ))
   (  segid "    " and resid 14   and name HD% )
      4.300     2.400     1.700 peak   313 spectrum    1 weight  0.10000E+01 volume  0.49688E-03 ppm1      8.557 ppm2      7.080 CV     1
 OR {  313}
   (( segid "    " and resid 13   and name H   ))
   (( segid "    " and resid 40   and name H   ))
 OR {  313}
   (( segid "    " and resid 13   and name H   ))
   (( segid "    " and resid 32   and name HE22))
 OR {  313}
   (( segid "    " and resid 13   and name H   ))
   (( segid "    " and resid 39   and name HD2 ))
 OR {  313}
   (( segid "    " and resid 13   and name H   ))
   (( segid "    " and resid 15   and name HE  ))
 OR {  313}
   (( segid "    " and resid 13   and name H   ))
   (( segid "    " and resid 43   and name HZ  ))
 OR {  313}
   (( segid "    " and resid 13   and name H   ))
   (( segid "    " and resid 50   and name HE  ))
 OR {  313}
   (( segid "    " and resid 13   and name H   ))
   (( segid "    " and resid 55   and name HD2 ))
 OR {  313}
   (( segid "    " and resid 13   and name H   ))
   (( segid "    " and resid 58   and name HD22))
 OR {  313}
   (( segid "    " and resid 13   and name H   ))
   (  segid "    " and resid 65   and name HE% )
 OR {  313}
   (( segid "    " and resid 13   and name H   ))
   (( segid "    " and resid 67   and name HD2 ))
 OR {  313}
   (( segid "    " and resid 13   and name H   ))
   (( segid "    " and resid 73   and name HD2 ))
 OR {  313}
   (( segid "    " and resid 13   and name H   ))
   (  segid "    " and resid 81   and name HD% )
 ASSI {  314}
   (( segid "    " and resid 12   and name H   ))
   (( segid "    " and resid 11   and name HA  ))
      3.300     1.300     1.300 peak   314 spectrum    1 weight  0.10000E+01 volume  0.12517E-02 ppm1      7.763 ppm2      4.286 CV     1
 OR {  314}
   (( segid "    " and resid 12   and name H   ))
   (( segid "    " and resid 8    and name HA  ))
 OR {  314}
   (( segid "    " and resid 12   and name H   ))
   (( segid "    " and resid 11   and name HB  ))
 OR {  314}
   (( segid "    " and resid 12   and name H   ))
   (( segid "    " and resid 7    and name HA  ))
 OR {  314}
   (( segid "    " and resid 12   and name H   ))
   (( segid "    " and resid 37   and name HA  ))
 OR {  314}
   (( segid "    " and resid 12   and name H   ))
   (( segid "    " and resid 15   and name HA  ))
 OR {  314}
   (( segid "    " and resid 12   and name H   ))
   (( segid "    " and resid 33   and name HA  ))
 OR {  314}
   (( segid "    " and resid 12   and name H   ))
   (( segid "    " and resid 16   and name HA  ))
 OR {  314}
   (( segid "    " and resid 12   and name H   ))
   (( segid "    " and resid 55   and name HA  ))
 OR {  314}
   (( segid "    " and resid 12   and name H   ))
   (( segid "    " and resid 27   and name HA  ))
 OR {  314}
   (( segid "    " and resid 12   and name H   ))
   (( segid "    " and resid 56   and name HA  ))
 OR {  314}
   (( segid "    " and resid 12   and name H   ))
   (( segid "    " and resid 25   and name HA  ))
 OR {  314}
   (( segid "    " and resid 12   and name H   ))
   (( segid "    " and resid 64   and name HA  ))
 OR {  314}
   (( segid "    " and resid 12   and name H   ))
   (( segid "    " and resid 75   and name HA  ))
 OR {  314}
   (( segid "    " and resid 12   and name H   ))
   (( segid "    " and resid 77   and name HA  ))
 OR {  314}
   (( segid "    " and resid 12   and name H   ))
   (( segid "    " and resid 79   and name HA  ))
 OR {  314}
   (( segid "    " and resid 12   and name H   ))
   (( segid "    " and resid 84   and name HA  ))
 OR {  314}
   (( segid "    " and resid 12   and name H   ))
   (( segid "    " and resid 85   and name HA  ))
 OR {  314}
   (( segid "    " and resid 12   and name H   ))
   (( segid "    " and resid 86   and name HA  ))
 ASSI {  315}
   (( segid "    " and resid 12   and name H   ))
   (( segid "    " and resid 53   and name HB3 ))
      3.100     1.200     1.200 peak   315 spectrum    1 weight  0.10000E+01 volume  0.18219E-03 ppm1      7.761 ppm2      3.607 CV     1
 OR {  315}
   (( segid "    " and resid 12   and name H   ))
   (( segid "    " and resid 5    and name HD3 ))
 OR {  315}
   (( segid "    " and resid 12   and name H   ))
   (( segid "    " and resid 17   and name HD3 ))
 OR {  315}
   (( segid "    " and resid 12   and name H   ))
   (( segid "    " and resid 4    and name HD2 ))
 OR {  315}
   (( segid "    " and resid 12   and name H   ))
   (( segid "    " and resid 26   and name HA  ))
 OR {  315}
   (( segid "    " and resid 12   and name H   ))
   (( segid "    " and resid 56   and name HD2 ))
 OR {  315}
   (( segid "    " and resid 12   and name H   ))
   (( segid "    " and resid 23   and name HA  ))
 OR {  315}
   (( segid "    " and resid 12   and name H   ))
   (( segid "    " and resid 59   and name HD2 ))
 OR {  315}
   (( segid "    " and resid 12   and name H   ))
   (( segid "    " and resid 60   and name HB2 ))
 ASSI {  316}
   (( segid "    " and resid 12   and name H   ))
   (( segid "    " and resid 10   and name HB2 ))
      2.800     1.000     1.000 peak   316 spectrum    1 weight  0.10000E+01 volume  0.38567E-03 ppm1      7.763 ppm2      2.734 CV     1
 OR {  316}
   (( segid "    " and resid 12   and name H   ))
   (( segid "    " and resid 55   and name HB3 ))
 OR {  316}
   (( segid "    " and resid 12   and name H   ))
   (( segid "    " and resid 80   and name HB3 ))
 ASSI {  317}
   (( segid "    " and resid 12   and name H   ))
   (( segid "    " and resid 10   and name HB3 ))
      3.800     1.800     1.800 peak   317 spectrum    1 weight  0.10000E+01 volume  0.58443E-03 ppm1      7.764 ppm2      2.542 CV     1
 OR {  317}
   (( segid "    " and resid 12   and name H   ))
   (( segid "    " and resid 35   and name HB2 ))
 OR {  317}
   (( segid "    " and resid 12   and name H   ))
   (( segid "    " and resid 37   and name HB2 ))
 OR {  317}
   (( segid "    " and resid 12   and name H   ))
   (( segid "    " and resid 43   and name HB2 ))
 OR {  317}
   (( segid "    " and resid 12   and name H   ))
   (( segid "    " and resid 43   and name HB3 ))
 OR {  317}
   (( segid "    " and resid 12   and name H   ))
   (( segid "    " and resid 20   and name HB2 ))
 OR {  317}
   (( segid "    " and resid 12   and name H   ))
   (( segid "    " and resid 20   and name HB3 ))
 OR {  317}
   (( segid "    " and resid 12   and name H   ))
   (( segid "    " and resid 83   and name HG2 ))
 OR {  317}
   (( segid "    " and resid 12   and name H   ))
   (( segid "    " and resid 87   and name HG2 ))
 ASSI {  318}
   (( segid "    " and resid 12   and name H   ))
   (  segid "    " and resid 40   and name HD2%)
      4.700     2.800     1.300 peak   318 spectrum    1 weight  0.10000E+01 volume  0.32416E-03 ppm1      7.765 ppm2      0.766 CV     1
 OR {  318}
   (( segid "    " and resid 12   and name H   ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  318}
   (( segid "    " and resid 12   and name H   ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  318}
   (( segid "    " and resid 12   and name H   ))
   (( segid "    " and resid 52   and name HG13))
 OR {  318}
   (( segid "    " and resid 12   and name H   ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  318}
   (( segid "    " and resid 12   and name H   ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  318}
   (( segid "    " and resid 12   and name H   ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  318}
   (( segid "    " and resid 12   and name H   ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  318}
   (( segid "    " and resid 12   and name H   ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  318}
   (( segid "    " and resid 12   and name H   ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  318}
   (( segid "    " and resid 12   and name H   ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  318}
   (( segid "    " and resid 12   and name H   ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  318}
   (( segid "    " and resid 12   and name H   ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  318}
   (( segid "    " and resid 12   and name H   ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {  318}
   (( segid "    " and resid 12   and name H   ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  318}
   (( segid "    " and resid 12   and name H   ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  318}
   (( segid "    " and resid 12   and name H   ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  318}
   (( segid "    " and resid 12   and name H   ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  318}
   (( segid "    " and resid 12   and name H   ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  318}
   (( segid "    " and resid 12   and name H   ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  318}
   (( segid "    " and resid 12   and name H   ))
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  319}
   (( segid "    " and resid 12   and name H   ))
   (  segid "    " and resid 13   and name HD2%)
      4.600     2.600     1.400 peak   319 spectrum    1 weight  0.10000E+01 volume  0.55839E-03 ppm1      7.763 ppm2      0.567 CV     1
 OR {  319}
   (( segid "    " and resid 12   and name H   ))
   (  segid "    " and resid 29   and name HG2%)
 OR {  319}
   (( segid "    " and resid 12   and name H   ))
   (  segid "    " and resid 45   and name HD2%)
 OR {  319}
   (( segid "    " and resid 12   and name H   ))
   (  segid "    " and resid 45   and name HD1%)
 ASSI {  320}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 11   and name HA  ))
      3.600     1.600     1.600 peak   320 spectrum    1 weight  0.10000E+01 volume  0.73348E-03 ppm1      8.851 ppm2      4.283 CV     1
 OR {  320}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 11   and name HB  ))
 OR {  320}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 8    and name HA  ))
 OR {  320}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 7    and name HA  ))
 OR {  320}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 37   and name HA  ))
 OR {  320}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 33   and name HA  ))
 OR {  320}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 15   and name HA  ))
 OR {  320}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 55   and name HA  ))
 OR {  320}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 16   and name HA  ))
 OR {  320}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 56   and name HA  ))
 OR {  320}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 27   and name HA  ))
 OR {  320}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 25   and name HA  ))
 OR {  320}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 64   and name HA  ))
 OR {  320}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 75   and name HA  ))
 OR {  320}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 77   and name HA  ))
 OR {  320}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 79   and name HA  ))
 OR {  320}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 84   and name HA  ))
 OR {  320}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 85   and name HA  ))
 OR {  320}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 86   and name HA  ))
 ASSI {  321}
   (( segid "    " and resid 11   and name H   ))
   (  segid "    " and resid 13   and name HD2%)
      5.000     3.100     1.000 peak   321 spectrum    1 weight  0.10000E+01 volume  0.19638E-03 ppm1      8.849 ppm2      0.567 CV     1
 OR {  321}
   (( segid "    " and resid 11   and name H   ))
   (  segid "    " and resid 45   and name HD2%)
 OR {  321}
   (( segid "    " and resid 11   and name H   ))
   (  segid "    " and resid 45   and name HD1%)
 OR {  321}
   (( segid "    " and resid 11   and name H   ))
   (  segid "    " and resid 29   and name HG2%)
 ASSI {  322}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 12   and name HB2 ))
      4.600     2.600     1.400 peak   322 spectrum    1 weight  0.10000E+01 volume  0.25080E-03 ppm1      8.853 ppm2      1.906 CV     1
 OR {  322}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 13   and name HB3 ))
 OR {  322}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 44   and name HB  ))
 OR {  322}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 41   and name HG3 ))
 OR {  322}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 5    and name HG2 ))
 OR {  322}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 15   and name HB3 ))
 OR {  322}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 50   and name HB3 ))
 OR {  322}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 5    and name HB3 ))
 OR {  322}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 49   and name HB3 ))
 OR {  322}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 5    and name HG3 ))
 OR {  322}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 32   and name HB2 ))
 OR {  322}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 47   and name HB3 ))
 OR {  322}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 30   and name HB2 ))
 OR {  322}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 4    and name HG3 ))
 OR {  322}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 28   and name HB3 ))
 OR {  322}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 56   and name HB3 ))
 OR {  322}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 17   and name HG2 ))
 OR {  322}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 57   and name HB3 ))
 OR {  322}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 25   and name HB2 ))
 OR {  322}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 24   and name HB2 ))
 OR {  322}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 63   and name HB2 ))
 OR {  322}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 66   and name HB2 ))
 OR {  322}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 66   and name HB3 ))
 OR {  322}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 68   and name HG2 ))
 OR {  322}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 68   and name HB2 ))
 OR {  322}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 69   and name HB3 ))
 OR {  322}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 69   and name HB2 ))
 OR {  322}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 77   and name HG2 ))
 OR {  322}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 77   and name HG3 ))
 OR {  322}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 83   and name HB2 ))
 OR {  322}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 87   and name HB3 ))
 ASSI {  323}
   (( segid "    " and resid 10   and name H   ))
   (( segid "    " and resid 10   and name HA  ))
      2.900     1.100     1.100 peak   323 spectrum    1 weight  0.10000E+01 volume  0.30995E-02 ppm1      9.597 ppm2      4.496 CV     1
 OR {  323}
   (( segid "    " and resid 10   and name H   ))
   (( segid "    " and resid 9    and name HA  ))
 OR {  323}
   (( segid "    " and resid 10   and name H   ))
   (( segid "    " and resid 12   and name HA  ))
 OR {  323}
   (( segid "    " and resid 10   and name H   ))
   (( segid "    " and resid 44   and name HA  ))
 OR {  323}
   (( segid "    " and resid 10   and name H   ))
   (( segid "    " and resid 52   and name HA  ))
 OR {  323}
   (( segid "    " and resid 10   and name H   ))
   (( segid "    " and resid 45   and name HA  ))
 OR {  323}
   (( segid "    " and resid 10   and name H   ))
   (( segid "    " and resid 14   and name HA  ))
 OR {  323}
   (( segid "    " and resid 10   and name H   ))
   (( segid "    " and resid 49   and name HA  ))
 OR {  323}
   (( segid "    " and resid 10   and name H   ))
   (( segid "    " and resid 31   and name HA  ))
 OR {  323}
   (( segid "    " and resid 10   and name H   ))
   (( segid "    " and resid 32   and name HA  ))
 OR {  323}
   (( segid "    " and resid 10   and name H   ))
   (( segid "    " and resid 3    and name HA  ))
 OR {  323}
   (( segid "    " and resid 10   and name H   ))
   (( segid "    " and resid 17   and name HA  ))
 OR {  323}
   (( segid "    " and resid 10   and name H   ))
   (( segid "    " and resid 57   and name HA  ))
 OR {  323}
   (( segid "    " and resid 10   and name H   ))
   (( segid "    " and resid 18   and name HA  ))
 OR {  323}
   (( segid "    " and resid 10   and name H   ))
   (( segid "    " and resid 67   and name HA  ))
 OR {  323}
   (( segid "    " and resid 10   and name H   ))
   (( segid "    " and resid 76   and name HA  ))
 OR {  323}
   (( segid "    " and resid 10   and name H   ))
   (( segid "    " and resid 81   and name HA  ))
 OR {  323}
   (( segid "    " and resid 10   and name H   ))
   (( segid "    " and resid 87   and name HA  ))
 ASSI {  324}
   (( segid "    " and resid 10   and name H   ))
   (  segid "    " and resid 40   and name HD2%)
      5.500     3.800     0.500 peak   324 spectrum    1 weight  0.10000E+01 volume  0.20822E-03 ppm1      9.598 ppm2      0.763 CV     1
 OR {  324}
   (( segid "    " and resid 10   and name H   ))
   (( segid "    " and resid 52   and name HG13))
 OR {  324}
   (( segid "    " and resid 10   and name H   ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  324}
   (( segid "    " and resid 10   and name H   ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  324}
   (( segid "    " and resid 10   and name H   ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  324}
   (( segid "    " and resid 10   and name H   ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  324}
   (( segid "    " and resid 10   and name H   ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  324}
   (( segid "    " and resid 10   and name H   ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  324}
   (( segid "    " and resid 10   and name H   ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  324}
   (( segid "    " and resid 10   and name H   ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  324}
   (( segid "    " and resid 10   and name H   ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  324}
   (( segid "    " and resid 10   and name H   ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  324}
   (( segid "    " and resid 10   and name H   ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  324}
   (( segid "    " and resid 10   and name H   ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  324}
   (( segid "    " and resid 10   and name H   ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  324}
   (( segid "    " and resid 10   and name H   ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  324}
   (( segid "    " and resid 10   and name H   ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  324}
   (( segid "    " and resid 10   and name H   ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  324}
   (( segid "    " and resid 10   and name H   ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  324}
   (( segid "    " and resid 10   and name H   ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  324}
   (( segid "    " and resid 10   and name H   ))
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  325}
   (( segid "    " and resid 9    and name H   ))
   (( segid "    " and resid 40   and name H   ))
      5.000     3.100     1.000 peak   325 spectrum    1 weight  0.10000E+01 volume  0.19638E-03 ppm1      8.232 ppm2      7.057 CV     1
 OR {  325}
   (( segid "    " and resid 9    and name H   ))
   (( segid "    " and resid 39   and name HD2 ))
 OR {  325}
   (( segid "    " and resid 9    and name H   ))
   (  segid "    " and resid 14   and name HD% )
 OR {  325}
   (( segid "    " and resid 9    and name H   ))
   (( segid "    " and resid 43   and name HZ  ))
 OR {  325}
   (( segid "    " and resid 9    and name H   ))
   (( segid "    " and resid 32   and name HE22))
 OR {  325}
   (( segid "    " and resid 9    and name H   ))
   (( segid "    " and resid 50   and name HE  ))
 OR {  325}
   (( segid "    " and resid 9    and name H   ))
   (( segid "    " and resid 15   and name HE  ))
 OR {  325}
   (( segid "    " and resid 9    and name H   ))
   (( segid "    " and resid 55   and name HD2 ))
 OR {  325}
   (( segid "    " and resid 9    and name H   ))
   (( segid "    " and resid 58   and name HD22))
 OR {  325}
   (( segid "    " and resid 9    and name H   ))
   (  segid "    " and resid 65   and name HE% )
 OR {  325}
   (( segid "    " and resid 9    and name H   ))
   (( segid "    " and resid 64   and name HE3 ))
 OR {  325}
   (( segid "    " and resid 9    and name H   ))
   (( segid "    " and resid 67   and name HD2 ))
 OR {  325}
   (( segid "    " and resid 9    and name H   ))
   (( segid "    " and resid 73   and name HD2 ))
 OR {  325}
   (( segid "    " and resid 9    and name H   ))
   (  segid "    " and resid 81   and name HD% )
 ASSI {  326}
   (( segid "    " and resid 9    and name H   ))
   (  segid "    " and resid 11   and name HG2%)
      4.400     2.400     1.600 peak   326 spectrum    1 weight  0.10000E+01 volume  0.67906E-03 ppm1      8.234 ppm2      1.146 CV     1
 OR {  326}
   (( segid "    " and resid 9    and name H   ))
   (( segid "    " and resid 40   and name HB3 ))
 OR {  326}
   (( segid "    " and resid 9    and name H   ))
   (( segid "    " and resid 13   and name HB2 ))
 OR {  326}
   (( segid "    " and resid 9    and name H   ))
   (  segid "    " and resid 7    and name HG2%)
 OR {  326}
   (( segid "    " and resid 9    and name H   ))
   (( segid "    " and resid 31   and name HG  ))
 OR {  326}
   (( segid "    " and resid 9    and name H   ))
   (  segid "    " and resid 34   and name HB% )
 OR {  326}
   (( segid "    " and resid 9    and name H   ))
   (  segid "    " and resid 75   and name HG2%)
 ASSI {  327}
   (( segid "    " and resid 9    and name H   ))
   (  segid "    " and resid 40   and name HD1%)
      5.700     4.100     0.300 peak   327 spectrum    1 weight  0.10000E+01 volume  0.19402E-03 ppm1      8.227 ppm2      0.852 CV     1
 OR {  327}
   (( segid "    " and resid 9    and name H   ))
   (  segid "    " and resid 13   and name HD1%)
 OR {  327}
   (( segid "    " and resid 9    and name H   ))
   (( segid "    " and resid 52   and name HG13))
 OR {  327}
   (( segid "    " and resid 9    and name H   ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  327}
   (( segid "    " and resid 9    and name H   ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  327}
   (( segid "    " and resid 9    and name H   ))
   (  segid "    " and resid 3    and name HD1%)
 OR {  327}
   (( segid "    " and resid 9    and name H   ))
   (  segid "    " and resid 27   and name HG2%)
 OR {  327}
   (( segid "    " and resid 9    and name H   ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  327}
   (( segid "    " and resid 9    and name H   ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  327}
   (( segid "    " and resid 9    and name H   ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {  327}
   (( segid "    " and resid 9    and name H   ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  327}
   (( segid "    " and resid 9    and name H   ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  327}
   (( segid "    " and resid 9    and name H   ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  327}
   (( segid "    " and resid 9    and name H   ))
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  328}
   (( segid "    " and resid 9    and name H   ))
   (  segid "    " and resid 11   and name HG2%)
      4.700     2.700     1.300 peak   328 spectrum    1 weight  0.10000E+01 volume  0.44246E-03 ppm1      8.234 ppm2      1.087 CV     1
 OR {  328}
   (( segid "    " and resid 9    and name H   ))
   (  segid "    " and resid 42   and name HB% )
 OR {  328}
   (( segid "    " and resid 9    and name H   ))
   (( segid "    " and resid 13   and name HB2 ))
 OR {  328}
   (( segid "    " and resid 9    and name H   ))
   (  segid "    " and resid 7    and name HG2%)
 OR {  328}
   (( segid "    " and resid 9    and name H   ))
   (( segid "    " and resid 31   and name HG  ))
 OR {  328}
   (( segid "    " and resid 9    and name H   ))
   (( segid "    " and resid 27   and name HG13))
 OR {  328}
   (( segid "    " and resid 9    and name H   ))
   (  segid "    " and resid 75   and name HG2%)
 ASSI {  329}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 9    and name HA  ))
      5.100     3.300     0.900 peak   329 spectrum    1 weight  0.10000E+01 volume  0.23424E-03 ppm1      8.254 ppm2      4.498 CV     1
 OR {  329}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 12   and name HA  ))
 OR {  329}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 10   and name HA  ))
 OR {  329}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 14   and name HA  ))
 OR {  329}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 44   and name HA  ))
 OR {  329}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 31   and name HA  ))
 OR {  329}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 52   and name HA  ))
 OR {  329}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 3    and name HA  ))
 OR {  329}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 32   and name HA  ))
 OR {  329}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 45   and name HA  ))
 OR {  329}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 17   and name HA  ))
 OR {  329}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 18   and name HA  ))
 OR {  329}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 49   and name HA  ))
 OR {  329}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 57   and name HA  ))
 OR {  329}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 67   and name HA  ))
 OR {  329}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 76   and name HA  ))
 OR {  329}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 81   and name HA  ))
 OR {  329}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 87   and name HA  ))
 ASSI {  330}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 40   and name HA  ))
      4.600     2.600     1.400 peak   330 spectrum    1 weight  0.10000E+01 volume  0.47321E-03 ppm1      8.250 ppm2      4.391 CV     1
 OR {  330}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 13   and name HA  ))
 OR {  330}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 6    and name HA  ))
 OR {  330}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 42   and name HA  ))
 OR {  330}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 5    and name HA  ))
 OR {  330}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 15   and name HA  ))
 OR {  330}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 33   and name HA  ))
 OR {  330}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 2    and name HA  ))
 OR {  330}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 18   and name HA  ))
 OR {  330}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 49   and name HA  ))
 OR {  330}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 55   and name HA  ))
 OR {  330}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 19   and name HA  ))
 OR {  330}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 25   and name HA  ))
 OR {  330}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 56   and name HA  ))
 OR {  330}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 59   and name HA  ))
 OR {  330}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 60   and name HA  ))
 OR {  330}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 67   and name HA  ))
 OR {  330}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 77   and name HA  ))
 OR {  330}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 81   and name HA  ))
 OR {  330}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 83   and name HA  ))
 ASSI {  331}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 7    and name HA  ))
      2.100     0.500     0.500 peak   331 spectrum    1 weight  0.10000E+01 volume  0.14102E-01 ppm1      8.252 ppm2      4.263 CV     1
 OR {  331}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 8    and name HA  ))
 OR {  331}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 37   and name HA  ))
 OR {  331}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 11   and name HA  ))
 OR {  331}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 11   and name HB  ))
 OR {  331}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 15   and name HA  ))
 OR {  331}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 16   and name HA  ))
 OR {  331}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 27   and name HA  ))
 OR {  331}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 56   and name HA  ))
 OR {  331}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 64   and name HA  ))
 OR {  331}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 72   and name HA  ))
 OR {  331}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 75   and name HA  ))
 OR {  331}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 77   and name HA  ))
 OR {  331}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 78   and name HA  ))
 OR {  331}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 79   and name HA  ))
 OR {  331}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 84   and name HA  ))
 OR {  331}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 85   and name HA  ))
 OR {  331}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 86   and name HA  ))
 ASSI {  332}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 6    and name HB2 ))
      4.600     2.700     1.400 peak   332 spectrum    1 weight  0.10000E+01 volume  0.53236E-03 ppm1      8.250 ppm2      3.817 CV     1
 OR {  332}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 6    and name HB3 ))
 OR {  332}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 36   and name HA2 ))
 OR {  332}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 34   and name HA  ))
 OR {  332}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 4    and name HD3 ))
 OR {  332}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 19   and name HB3 ))
 OR {  332}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 21   and name HA  ))
 OR {  332}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 82   and name HA2 ))
 OR {  332}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 82   and name HA3 ))
 ASSI {  333}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 37   and name HB2 ))
      5.400     3.700     0.600 peak   333 spectrum    1 weight  0.10000E+01 volume  0.30995E-03 ppm1      8.252 ppm2      2.622 CV     1
 OR {  333}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 9    and name HB2 ))
 OR {  333}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 35   and name HB3 ))
 OR {  333}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 43   and name HB2 ))
 OR {  333}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 43   and name HB3 ))
 OR {  333}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 53   and name HB2 ))
 OR {  333}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 20   and name HB2 ))
 OR {  333}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 20   and name HB3 ))
 OR {  333}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 80   and name HB2 ))
 ASSI {  334}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 38   and name HB2 ))
      5.700     4.100     0.300 peak   334 spectrum    1 weight  0.10000E+01 volume  0.17272E-03 ppm1      8.246 ppm2      2.907 CV     1
 OR {  334}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 9    and name HB3 ))
 OR {  334}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 15   and name HD3 ))
 OR {  334}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 16   and name HE2 ))
 OR {  334}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 16   and name HE3 ))
 OR {  334}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 25   and name HE2 ))
 OR {  334}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 55   and name HB2 ))
 OR {  334}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 25   and name HE3 ))
 OR {  334}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 21   and name HE3 ))
 OR {  334}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 21   and name HE2 ))
 OR {  334}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 71   and name HE2 ))
 OR {  334}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 71   and name HE3 ))
 OR {  334}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 78   and name HE3 ))
 OR {  334}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 78   and name HE2 ))
 OR {  334}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 81   and name HB3 ))
 OR {  334}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 86   and name HE2 ))
 OR {  334}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 86   and name HE3 ))
 ASSI {  335}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 12   and name HB2 ))
      6.000     4.900     0.000 peak   335 spectrum    1 weight  0.10000E+01 volume  0.19402E-03 ppm1      8.253 ppm2      1.869 CV     1
 OR {  335}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 13   and name HB3 ))
 OR {  335}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 5    and name HG2 ))
 OR {  335}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 5    and name HB3 ))
 OR {  335}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 5    and name HG3 ))
 OR {  335}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 41   and name HG3 ))
 OR {  335}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 15   and name HB3 ))
 OR {  335}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 44   and name HB  ))
 OR {  335}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 4    and name HB2 ))
 OR {  335}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 28   and name HB3 ))
 OR {  335}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 32   and name HB2 ))
 OR {  335}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 27   and name HB  ))
 OR {  335}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 17   and name HG2 ))
 OR {  335}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 50   and name HB3 ))
 OR {  335}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 49   and name HB3 ))
 OR {  335}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 47   and name HB3 ))
 OR {  335}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 50   and name HB2 ))
 OR {  335}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 24   and name HB2 ))
 OR {  335}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 56   and name HB3 ))
 OR {  335}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 66   and name HB2 ))
 OR {  335}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 68   and name HG2 ))
 OR {  335}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 68   and name HB2 ))
 OR {  335}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 69   and name HB2 ))
 OR {  335}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 77   and name HG2 ))
 OR {  335}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 77   and name HG3 ))
 OR {  335}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 87   and name HB3 ))
 ASSI {  336}
   (( segid "    " and resid 8    and name H   ))
   (  segid "    " and resid 40   and name HD2%)
      4.400     2.400     1.600 peak   336 spectrum    1 weight  0.10000E+01 volume  0.25080E-03 ppm1      8.254 ppm2      0.769 CV     1
 OR {  336}
   (( segid "    " and resid 8    and name H   ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  336}
   (( segid "    " and resid 8    and name H   ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  336}
   (( segid "    " and resid 8    and name H   ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  336}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 52   and name HG13))
 OR {  336}
   (( segid "    " and resid 8    and name H   ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  336}
   (( segid "    " and resid 8    and name H   ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  336}
   (( segid "    " and resid 8    and name H   ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  336}
   (( segid "    " and resid 8    and name H   ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  336}
   (( segid "    " and resid 8    and name H   ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  336}
   (( segid "    " and resid 8    and name H   ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  336}
   (( segid "    " and resid 8    and name H   ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  336}
   (( segid "    " and resid 8    and name H   ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  336}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {  336}
   (( segid "    " and resid 8    and name H   ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  336}
   (( segid "    " and resid 8    and name H   ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  336}
   (( segid "    " and resid 8    and name H   ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  336}
   (( segid "    " and resid 8    and name H   ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  336}
   (( segid "    " and resid 8    and name H   ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  336}
   (( segid "    " and resid 8    and name H   ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  336}
   (( segid "    " and resid 8    and name H   ))
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  337}
   (( segid "    " and resid 6    and name H   ))
   (  segid "    " and resid 7    and name HG2%)
      4.200     2.200     1.800 peak   337 spectrum    1 weight  0.10000E+01 volume  0.32416E-03 ppm1      8.372 ppm2      1.146 CV     1
 OR {  337}
   (( segid "    " and resid 6    and name H   ))
   (( segid "    " and resid 13   and name HB2 ))
 OR {  337}
   (( segid "    " and resid 6    and name H   ))
   (( segid "    " and resid 31   and name HG  ))
 OR {  337}
   (( segid "    " and resid 6    and name H   ))
   (  segid "    " and resid 11   and name HG2%)
 OR {  337}
   (( segid "    " and resid 6    and name H   ))
   (( segid "    " and resid 40   and name HB3 ))
 OR {  337}
   (( segid "    " and resid 6    and name H   ))
   (  segid "    " and resid 34   and name HB% )
 OR {  337}
   (( segid "    " and resid 6    and name H   ))
   (  segid "    " and resid 75   and name HG2%)
 ASSI {  338}
   (( segid "    " and resid 7    and name H   ))
   (( segid "    " and resid 12   and name HB2 ))
      4.700     2.800     1.300 peak   338 spectrum    1 weight  0.10000E+01 volume  0.35728E-03 ppm1      8.180 ppm2      1.845 CV     1
 OR {  338}
   (( segid "    " and resid 7    and name H   ))
   (( segid "    " and resid 15   and name HB3 ))
 OR {  338}
   (( segid "    " and resid 7    and name H   ))
   (( segid "    " and resid 5    and name HB3 ))
 OR {  338}
   (( segid "    " and resid 7    and name H   ))
   (( segid "    " and resid 4    and name HB2 ))
 OR {  338}
   (( segid "    " and resid 7    and name H   ))
   (( segid "    " and resid 29   and name HB  ))
 OR {  338}
   (( segid "    " and resid 7    and name H   ))
   (( segid "    " and resid 41   and name HB3 ))
 OR {  338}
   (( segid "    " and resid 7    and name H   ))
   (( segid "    " and resid 41   and name HB2 ))
 OR {  338}
   (( segid "    " and resid 7    and name H   ))
   (( segid "    " and resid 28   and name HB3 ))
 OR {  338}
   (( segid "    " and resid 7    and name H   ))
   (( segid "    " and resid 41   and name HG3 ))
 OR {  338}
   (( segid "    " and resid 7    and name H   ))
   (( segid "    " and resid 32   and name HB3 ))
 OR {  338}
   (( segid "    " and resid 7    and name H   ))
   (( segid "    " and resid 17   and name HG2 ))
 OR {  338}
   (( segid "    " and resid 7    and name H   ))
   (( segid "    " and resid 32   and name HB2 ))
 OR {  338}
   (( segid "    " and resid 7    and name H   ))
   (( segid "    " and resid 27   and name HB  ))
 OR {  338}
   (( segid "    " and resid 7    and name H   ))
   (( segid "    " and resid 24   and name HB2 ))
 OR {  338}
   (( segid "    " and resid 7    and name H   ))
   (( segid "    " and resid 50   and name HB3 ))
 OR {  338}
   (( segid "    " and resid 7    and name H   ))
   (( segid "    " and resid 50   and name HB2 ))
 OR {  338}
   (( segid "    " and resid 7    and name H   ))
   (( segid "    " and resid 47   and name HB3 ))
 OR {  338}
   (( segid "    " and resid 7    and name H   ))
   (( segid "    " and resid 56   and name HB3 ))
 OR {  338}
   (( segid "    " and resid 7    and name H   ))
   (( segid "    " and resid 68   and name HG2 ))
 OR {  338}
   (( segid "    " and resid 7    and name H   ))
   (( segid "    " and resid 68   and name HB2 ))
 OR {  338}
   (( segid "    " and resid 7    and name H   ))
   (( segid "    " and resid 77   and name HG2 ))
 OR {  338}
   (( segid "    " and resid 7    and name H   ))
   (( segid "    " and resid 77   and name HG3 ))
 ASSI {  339}
   (( segid "    " and resid 7    and name H   ))
   (  segid "    " and resid 8    and name HB% )
      4.100     2.100     1.900 peak   339 spectrum    1 weight  0.10000E+01 volume  0.40932E-03 ppm1      8.178 ppm2      1.284 CV     1
 OR {  339}
   (( segid "    " and resid 7    and name H   ))
   (( segid "    " and resid 40   and name HG  ))
 OR {  339}
   (( segid "    " and resid 7    and name H   ))
   (( segid "    " and resid 31   and name HB3 ))
 OR {  339}
   (( segid "    " and resid 7    and name H   ))
   (( segid "    " and resid 16   and name HB3 ))
 OR {  339}
   (( segid "    " and resid 7    and name H   ))
   (( segid "    " and resid 16   and name HG3 ))
 OR {  339}
   (( segid "    " and resid 7    and name H   ))
   (( segid "    " and resid 16   and name HG2 ))
 OR {  339}
   (( segid "    " and resid 7    and name H   ))
   (( segid "    " and resid 18   and name HB3 ))
 OR {  339}
   (( segid "    " and resid 7    and name H   ))
   (( segid "    " and resid 52   and name HG12))
 OR {  339}
   (( segid "    " and resid 7    and name H   ))
   (  segid "    " and resid 54   and name HG2%)
 OR {  339}
   (( segid "    " and resid 7    and name H   ))
   (( segid "    " and resid 45   and name HB2 ))
 OR {  339}
   (( segid "    " and resid 7    and name H   ))
   (( segid "    " and resid 54   and name HG12))
 OR {  339}
   (( segid "    " and resid 7    and name H   ))
   (( segid "    " and resid 54   and name HG13))
 OR {  339}
   (( segid "    " and resid 7    and name H   ))
   (( segid "    " and resid 50   and name HG3 ))
 OR {  339}
   (( segid "    " and resid 7    and name H   ))
   (( segid "    " and resid 21   and name HG3 ))
 OR {  339}
   (( segid "    " and resid 7    and name H   ))
   (( segid "    " and resid 61   and name HG  ))
 OR {  339}
   (( segid "    " and resid 7    and name H   ))
   (( segid "    " and resid 71   and name HG3 ))
 OR {  339}
   (( segid "    " and resid 7    and name H   ))
   (( segid "    " and resid 71   and name HG2 ))
 OR {  339}
   (( segid "    " and resid 7    and name H   ))
   (( segid "    " and resid 78   and name HG2 ))
 OR {  339}
   (( segid "    " and resid 7    and name H   ))
   (( segid "    " and resid 79   and name HB3 ))
 OR {  339}
   (( segid "    " and resid 7    and name H   ))
   (( segid "    " and resid 86   and name HG2 ))
 ASSI {  340}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 63   and name HB3 ))
      4.600     2.600     1.400 peak   340 spectrum    1 weight  0.10000E+01 volume  0.84942E-03 ppm1      7.390 ppm2      1.982 CV     1
 OR {  340}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 63   and name HB2 ))
 OR {  340}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 66   and name HB2 ))
 OR {  340}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 66   and name HB3 ))
 OR {  340}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 59   and name HB2 ))
 OR {  340}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 59   and name HG2 ))
 OR {  340}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 69   and name HB3 ))
 OR {  340}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 69   and name HB2 ))
 OR {  340}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 57   and name HB3 ))
 OR {  340}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 49   and name HB3 ))
 OR {  340}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 44   and name HB  ))
 OR {  340}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 12   and name HB3 ))
 OR {  340}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 13   and name HB3 ))
 OR {  340}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 33   and name HB2 ))
 OR {  340}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 5    and name HG2 ))
 OR {  340}
   (( segid "    " and resid 63   and name HE21))
   (  segid "    " and resid 83   and name HE% )
 OR {  340}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 5    and name HG3 ))
 OR {  340}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 30   and name HB2 ))
 OR {  340}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 83   and name HB3 ))
 OR {  340}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 4    and name HG3 ))
 OR {  340}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 4    and name HG2 ))
 OR {  340}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 83   and name HB2 ))
 OR {  340}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 28   and name HB2 ))
 OR {  340}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 17   and name HG3 ))
 OR {  340}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 25   and name HB3 ))
 OR {  340}
   (( segid "    " and resid 63   and name HE21))
   (  segid "    " and resid 87   and name HE% )
 OR {  340}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 25   and name HB2 ))
 OR {  340}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 87   and name HB3 ))
 ASSI {  341}
   (( segid "    " and resid 63   and name HE22))
   (( segid "    " and resid 63   and name HB3 ))
      4.500     2.500     1.500 peak   341 spectrum    1 weight  0.10000E+01 volume  0.88254E-03 ppm1      6.808 ppm2      1.974 CV     1
 OR {  341}
   (( segid "    " and resid 63   and name HE22))
   (( segid "    " and resid 63   and name HB2 ))
 OR {  341}
   (( segid "    " and resid 63   and name HE22))
   (( segid "    " and resid 66   and name HB2 ))
 OR {  341}
   (( segid "    " and resid 63   and name HE22))
   (( segid "    " and resid 66   and name HB3 ))
 OR {  341}
   (( segid "    " and resid 63   and name HE22))
   (( segid "    " and resid 59   and name HB2 ))
 OR {  341}
   (( segid "    " and resid 63   and name HE22))
   (( segid "    " and resid 69   and name HB3 ))
 OR {  341}
   (( segid "    " and resid 63   and name HE22))
   (( segid "    " and resid 59   and name HG2 ))
 OR {  341}
   (( segid "    " and resid 63   and name HE22))
   (( segid "    " and resid 69   and name HB2 ))
 OR {  341}
   (( segid "    " and resid 63   and name HE22))
   (( segid "    " and resid 57   and name HB3 ))
 OR {  341}
   (( segid "    " and resid 63   and name HE22))
   (( segid "    " and resid 49   and name HB3 ))
 OR {  341}
   (( segid "    " and resid 63   and name HE22))
   (( segid "    " and resid 44   and name HB  ))
 OR {  341}
   (( segid "    " and resid 63   and name HE22))
   (( segid "    " and resid 12   and name HB2 ))
 OR {  341}
   (( segid "    " and resid 63   and name HE22))
   (( segid "    " and resid 12   and name HB3 ))
 OR {  341}
   (( segid "    " and resid 63   and name HE22))
   (( segid "    " and resid 13   and name HB3 ))
 OR {  341}
   (( segid "    " and resid 63   and name HE22))
   (( segid "    " and resid 33   and name HB2 ))
 OR {  341}
   (( segid "    " and resid 63   and name HE22))
   (  segid "    " and resid 83   and name HE% )
 OR {  341}
   (( segid "    " and resid 63   and name HE22))
   (( segid "    " and resid 5    and name HG2 ))
 OR {  341}
   (( segid "    " and resid 63   and name HE22))
   (( segid "    " and resid 5    and name HG3 ))
 OR {  341}
   (( segid "    " and resid 63   and name HE22))
   (( segid "    " and resid 30   and name HB2 ))
 OR {  341}
   (( segid "    " and resid 63   and name HE22))
   (( segid "    " and resid 83   and name HB3 ))
 OR {  341}
   (( segid "    " and resid 63   and name HE22))
   (( segid "    " and resid 83   and name HB2 ))
 OR {  341}
   (( segid "    " and resid 63   and name HE22))
   (( segid "    " and resid 4    and name HG3 ))
 OR {  341}
   (( segid "    " and resid 63   and name HE22))
   (( segid "    " and resid 4    and name HG2 ))
 OR {  341}
   (( segid "    " and resid 63   and name HE22))
   (( segid "    " and resid 28   and name HB2 ))
 OR {  341}
   (( segid "    " and resid 63   and name HE22))
   (  segid "    " and resid 87   and name HE% )
 OR {  341}
   (( segid "    " and resid 63   and name HE22))
   (( segid "    " and resid 25   and name HB2 ))
 OR {  341}
   (( segid "    " and resid 63   and name HE22))
   (( segid "    " and resid 87   and name HB3 ))
 ASSI {  342}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 68   and name HG3 ))
      3.400     1.500     1.500 peak   342 spectrum    1 weight  0.10000E+01 volume  0.41879E-03 ppm1      6.453 ppm2      1.725 CV     1
 OR {  342}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 68   and name HB3 ))
 OR {  342}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 70   and name HB2 ))
 OR {  342}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 70   and name HB3 ))
 OR {  342}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 71   and name HB2 ))
 OR {  342}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 71   and name HB3 ))
 OR {  342}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 77   and name HB2 ))
 OR {  342}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 78   and name HB3 ))
 OR {  342}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 78   and name HB2 ))
 OR {  342}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 56   and name HG3 ))
 OR {  342}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 47   and name HB2 ))
 OR {  342}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 85   and name HB3 ))
 OR {  342}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 85   and name HB2 ))
 OR {  342}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 86   and name HB2 ))
 OR {  342}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 86   and name HB3 ))
 OR {  342}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 41   and name HB2 ))
 OR {  342}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 41   and name HB3 ))
 OR {  342}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 33   and name HB3 ))
 OR {  342}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 32   and name HB3 ))
 OR {  342}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 29   and name HB  ))
 OR {  342}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 16   and name HB2 ))
 OR {  342}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 17   and name HB3 ))
 OR {  342}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 18   and name HG  ))
 OR {  342}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 25   and name HD3 ))
 OR {  342}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 24   and name HB3 ))
 OR {  342}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 24   and name HG2 ))
 OR {  342}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 24   and name HG3 ))
 OR {  342}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 21   and name HB3 ))
 OR {  342}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 21   and name HB2 ))
 ASSI {  343}
   (( segid "    " and resid 50   and name HE  ))
   (( segid "    " and resid 50   and name HD3 ))
      3.700     1.700     1.700 peak   343 spectrum    1 weight  0.10000E+01 volume  0.39750E-03 ppm1      7.079 ppm2      3.045 CV     1
 OR {  343}
   (( segid "    " and resid 50   and name HE  ))
   (( segid "    " and resid 50   and name HD2 ))
 OR {  343}
   (( segid "    " and resid 50   and name HE  ))
   (( segid "    " and resid 46   and name HB3 ))
 OR {  343}
   (( segid "    " and resid 50   and name HE  ))
   (( segid "    " and resid 58   and name HB3 ))
 OR {  343}
   (( segid "    " and resid 50   and name HE  ))
   (( segid "    " and resid 39   and name HB2 ))
 OR {  343}
   (( segid "    " and resid 50   and name HE  ))
   (( segid "    " and resid 14   and name HB2 ))
 OR {  343}
   (( segid "    " and resid 50   and name HE  ))
   (( segid "    " and resid 14   and name HB3 ))
 OR {  343}
   (( segid "    " and resid 50   and name HE  ))
   (( segid "    " and resid 64   and name HB3 ))
 OR {  343}
   (( segid "    " and resid 50   and name HE  ))
   (( segid "    " and resid 1    and name HB2 ))
 OR {  343}
   (( segid "    " and resid 50   and name HE  ))
   (( segid "    " and resid 24   and name HD3 ))
 OR {  343}
   (( segid "    " and resid 50   and name HE  ))
   (( segid "    " and resid 65   and name HB3 ))
 OR {  343}
   (( segid "    " and resid 50   and name HE  ))
   (( segid "    " and resid 67   and name HB3 ))
 OR {  343}
   (( segid "    " and resid 50   and name HE  ))
   (( segid "    " and resid 70   and name HD2 ))
 OR {  343}
   (( segid "    " and resid 50   and name HE  ))
   (( segid "    " and resid 70   and name HD3 ))
 OR {  343}
   (( segid "    " and resid 50   and name HE  ))
   (( segid "    " and resid 73   and name HB2 ))
 OR {  343}
   (( segid "    " and resid 50   and name HE  ))
   (( segid "    " and resid 81   and name HB2 ))
 OR {  343}
   (( segid "    " and resid 50   and name HE  ))
   (( segid "    " and resid 85   and name HD3 ))
 OR {  343}
   (( segid "    " and resid 50   and name HE  ))
   (( segid "    " and resid 85   and name HD2 ))
 ASSI {  344}
   (( segid "    " and resid 15   and name HE  ))
   (( segid "    " and resid 15   and name HD2 ))
      3.800     1.800     1.800 peak   344 spectrum    1 weight  0.10000E+01 volume  0.32416E-03 ppm1      7.021 ppm2      2.819 CV     1
 OR {  344}
   (( segid "    " and resid 15   and name HE  ))
   (( segid "    " and resid 15   and name HD3 ))
 OR {  344}
   (( segid "    " and resid 15   and name HE  ))
   (( segid "    " and resid 55   and name HB2 ))
 OR {  344}
   (( segid "    " and resid 15   and name HE  ))
   (( segid "    " and resid 58   and name HB2 ))
 OR {  344}
   (( segid "    " and resid 15   and name HE  ))
   (( segid "    " and resid 71   and name HE3 ))
 OR {  344}
   (( segid "    " and resid 15   and name HE  ))
   (( segid "    " and resid 71   and name HE2 ))
 ASSI {  345}
   (( segid "    " and resid 24   and name HE  ))
   (( segid "    " and resid 24   and name HD2 ))
      4.200     2.200     1.800 peak   345 spectrum    1 weight  0.10000E+01 volume  0.26737E-03 ppm1      7.336 ppm2      3.102 CV     1
 OR {  345}
   (( segid "    " and resid 24   and name HE  ))
   (( segid "    " and resid 24   and name HD3 ))
 OR {  345}
   (( segid "    " and resid 24   and name HE  ))
   (( segid "    " and resid 1    and name HB3 ))
 OR {  345}
   (( segid "    " and resid 24   and name HE  ))
   (( segid "    " and resid 1    and name HB2 ))
 OR {  345}
   (( segid "    " and resid 24   and name HE  ))
   (( segid "    " and resid 14   and name HB3 ))
 OR {  345}
   (( segid "    " and resid 24   and name HE  ))
   (( segid "    " and resid 14   and name HB2 ))
 OR {  345}
   (( segid "    " and resid 24   and name HE  ))
   (( segid "    " and resid 38   and name HB3 ))
 OR {  345}
   (( segid "    " and resid 24   and name HE  ))
   (( segid "    " and resid 39   and name HB2 ))
 OR {  345}
   (( segid "    " and resid 24   and name HE  ))
   (( segid "    " and resid 50   and name HD3 ))
 OR {  345}
   (( segid "    " and resid 24   and name HE  ))
   (( segid "    " and resid 50   and name HD2 ))
 OR {  345}
   (( segid "    " and resid 24   and name HE  ))
   (( segid "    " and resid 46   and name HB2 ))
 OR {  345}
   (( segid "    " and resid 24   and name HE  ))
   (( segid "    " and resid 46   and name HB3 ))
 OR {  345}
   (( segid "    " and resid 24   and name HE  ))
   (( segid "    " and resid 58   and name HB3 ))
 OR {  345}
   (( segid "    " and resid 24   and name HE  ))
   (( segid "    " and resid 64   and name HB2 ))
 OR {  345}
   (( segid "    " and resid 24   and name HE  ))
   (( segid "    " and resid 65   and name HB2 ))
 OR {  345}
   (( segid "    " and resid 24   and name HE  ))
   (( segid "    " and resid 67   and name HB3 ))
 OR {  345}
   (( segid "    " and resid 24   and name HE  ))
   (( segid "    " and resid 67   and name HB2 ))
 OR {  345}
   (( segid "    " and resid 24   and name HE  ))
   (( segid "    " and resid 70   and name HD2 ))
 OR {  345}
   (( segid "    " and resid 24   and name HE  ))
   (( segid "    " and resid 70   and name HD3 ))
 OR {  345}
   (( segid "    " and resid 24   and name HE  ))
   (( segid "    " and resid 73   and name HB2 ))
 OR {  345}
   (( segid "    " and resid 24   and name HE  ))
   (( segid "    " and resid 81   and name HB2 ))
 OR {  345}
   (( segid "    " and resid 24   and name HE  ))
   (( segid "    " and resid 85   and name HD3 ))
 OR {  345}
   (( segid "    " and resid 24   and name HE  ))
   (( segid "    " and resid 85   and name HD2 ))
 ASSI {  346}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 70   and name HG2 ))
      3.600     1.600     1.600 peak   346 spectrum    1 weight  0.10000E+01 volume  0.53947E-03 ppm1      7.181 ppm2      1.528 CV     1
 OR {  346}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {  346}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 85   and name HG3 ))
 OR {  346}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 70   and name HG3 ))
 OR {  346}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 72   and name HB3 ))
 OR {  346}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {  346}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {  346}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 84   and name HB3 ))
 OR {  346}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 84   and name HG  ))
 OR {  346}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 84   and name HB2 ))
 OR {  346}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 76   and name HB2 ))
 OR {  346}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 76   and name HB3 ))
 OR {  346}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 76   and name HG  ))
 OR {  346}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 76   and name HG  ))
 OR {  346}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 76   and name HB3 ))
 OR {  346}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 76   and name HB2 ))
 OR {  346}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 61   and name HB3 ))
 OR {  346}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 84   and name HB2 ))
 OR {  346}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 84   and name HB3 ))
 OR {  346}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 84   and name HG  ))
 OR {  346}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 72   and name HB3 ))
 OR {  346}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {  346}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {  346}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {  346}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 85   and name HG3 ))
 OR {  346}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 70   and name HG2 ))
 OR {  346}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 70   and name HG3 ))
 OR {  346}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 47   and name HG  ))
 OR {  346}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 50   and name HG2 ))
 OR {  346}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 45   and name HG  ))
 OR {  346}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 52   and name HB  ))
 OR {  346}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 13   and name HG  ))
 OR {  346}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 61   and name HB3 ))
 OR {  346}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 15   and name HG2 ))
 OR {  346}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {  346}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 3    and name HB3 ))
 OR {  346}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {  346}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 3    and name HB2 ))
 OR {  346}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 3    and name HG  ))
 OR {  346}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 2    and name HB3 ))
 OR {  346}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 27   and name HG12))
 OR {  346}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 2    and name HB2 ))
 OR {  346}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 2    and name HG  ))
 OR {  346}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 18   and name HB2 ))
 OR {  346}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {  346}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {  346}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {  346}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 22   and name HB3 ))
 OR {  346}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 21   and name HD2 ))
 OR {  346}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 21   and name HD3 ))
 OR {  346}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 47   and name HG  ))
 OR {  346}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 50   and name HG2 ))
 OR {  346}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 45   and name HG  ))
 OR {  346}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 52   and name HB  ))
 OR {  346}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 13   and name HG  ))
 OR {  346}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 15   and name HG2 ))
 OR {  346}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {  346}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 3    and name HB3 ))
 OR {  346}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {  346}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 3    and name HB2 ))
 OR {  346}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 3    and name HG  ))
 OR {  346}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 2    and name HB3 ))
 OR {  346}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 27   and name HG12))
 OR {  346}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 2    and name HB2 ))
 OR {  346}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 2    and name HG  ))
 OR {  346}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 18   and name HB2 ))
 OR {  346}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {  346}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {  346}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {  346}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 22   and name HB3 ))
 OR {  346}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 21   and name HD2 ))
 OR {  346}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 21   and name HD3 ))
 ASSI {  347}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 70   and name HB2 ))
      2.700     0.900     0.900 peak   347 spectrum    1 weight  0.10000E+01 volume  0.45949E-02 ppm1      8.032 ppm2      1.722 CV     1
 OR {  347}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 70   and name HB3 ))
 OR {  347}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 71   and name HB2 ))
 OR {  347}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 71   and name HB3 ))
 OR {  347}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 68   and name HG3 ))
 OR {  347}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 68   and name HB3 ))
 OR {  347}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 77   and name HB2 ))
 OR {  347}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 78   and name HB3 ))
 OR {  347}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 78   and name HB2 ))
 OR {  347}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 56   and name HG3 ))
 OR {  347}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 85   and name HB3 ))
 OR {  347}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 85   and name HB2 ))
 OR {  347}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 86   and name HB2 ))
 OR {  347}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 86   and name HB3 ))
 OR {  347}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {  347}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 33   and name HB3 ))
 OR {  347}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 32   and name HB3 ))
 OR {  347}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 29   and name HB  ))
 OR {  347}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 16   and name HB2 ))
 OR {  347}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 17   and name HB3 ))
 OR {  347}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 18   and name HG  ))
 OR {  347}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 25   and name HD3 ))
 OR {  347}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 24   and name HB3 ))
 OR {  347}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 24   and name HG2 ))
 OR {  347}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 24   and name HG3 ))
 OR {  347}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 21   and name HB3 ))
 OR {  347}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 21   and name HB2 ))
 ASSI {  348}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 51   and name HB3 ))
      2.500     0.800     0.800 peak   348 spectrum    1 weight  0.10000E+01 volume  0.45357E-02 ppm1      8.533 ppm2      3.386 CV     1
 OR {  348}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 51   and name HB2 ))
 OR {  348}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 39   and name HB3 ))
 ASSI {  349}
   (( segid "    " and resid 6    and name H   ))
   (( segid "    " and resid 6    and name HB2 ))
      2.800     1.000     1.000 peak   349 spectrum    1 weight  0.10000E+01 volume  0.51226E-02 ppm1      8.372 ppm2      3.821 CV     1
 OR {  349}
   (( segid "    " and resid 6    and name H   ))
   (( segid "    " and resid 6    and name HB3 ))
 OR {  349}
   (( segid "    " and resid 6    and name H   ))
   (( segid "    " and resid 4    and name HD3 ))
 OR {  349}
   (( segid "    " and resid 6    and name H   ))
   (( segid "    " and resid 36   and name HA2 ))
 OR {  349}
   (( segid "    " and resid 6    and name H   ))
   (( segid "    " and resid 34   and name HA  ))
 OR {  349}
   (( segid "    " and resid 6    and name H   ))
   (( segid "    " and resid 19   and name HB3 ))
 OR {  349}
   (( segid "    " and resid 6    and name H   ))
   (( segid "    " and resid 21   and name HA  ))
 OR {  349}
   (( segid "    " and resid 6    and name H   ))
   (( segid "    " and resid 82   and name HA2 ))
 OR {  349}
   (( segid "    " and resid 6    and name H   ))
   (( segid "    " and resid 82   and name HA3 ))
 ASSI {  350}
   (( segid "    " and resid 7    and name H   ))
   (( segid "    " and resid 6    and name HB2 ))
      3.000     1.100     1.100 peak   350 spectrum    1 weight  0.10000E+01 volume  0.19283E-02 ppm1      8.182 ppm2      3.825 CV     1
 OR {  350}
   (( segid "    " and resid 7    and name H   ))
   (( segid "    " and resid 6    and name HB3 ))
 OR {  350}
   (( segid "    " and resid 7    and name H   ))
   (( segid "    " and resid 36   and name HA2 ))
 OR {  350}
   (( segid "    " and resid 7    and name H   ))
   (( segid "    " and resid 4    and name HD3 ))
 OR {  350}
   (( segid "    " and resid 7    and name H   ))
   (( segid "    " and resid 34   and name HA  ))
 OR {  350}
   (( segid "    " and resid 7    and name H   ))
   (( segid "    " and resid 19   and name HB3 ))
 OR {  350}
   (( segid "    " and resid 7    and name H   ))
   (( segid "    " and resid 21   and name HA  ))
 OR {  350}
   (( segid "    " and resid 7    and name H   ))
   (( segid "    " and resid 82   and name HA2 ))
 OR {  350}
   (( segid "    " and resid 7    and name H   ))
   (( segid "    " and resid 82   and name HA3 ))
 ASSI {  351}
   (( segid "    " and resid 3    and name H   ))
   (  segid "    " and resid 3    and name HD1%)
      3.000     1.100     1.100 peak   351 spectrum    1 weight  0.10000E+01 volume  0.41241E-02 ppm1      8.268 ppm2      0.809 CV     1
 OR {  351}
   (( segid "    " and resid 3    and name H   ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  351}
   (( segid "    " and resid 76   and name H   ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  351}
   (( segid "    " and resid 76   and name H   ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  351}
   (( segid "    " and resid 3    and name H   ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  351}
   (( segid "    " and resid 3    and name H   ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  351}
   (( segid "    " and resid 3    and name H   ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  351}
   (( segid "    " and resid 76   and name H   ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  351}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {  351}
   (( segid "    " and resid 3    and name H   ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  351}
   (( segid "    " and resid 3    and name H   ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  351}
   (( segid "    " and resid 3    and name H   ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  351}
   (( segid "    " and resid 76   and name H   ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  351}
   (( segid "    " and resid 76   and name H   ))
   (  segid "    " and resid 84   and name HD1%)
 OR {  351}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 52   and name HG13))
 OR {  351}
   (( segid "    " and resid 3    and name H   ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  351}
   (( segid "    " and resid 76   and name H   ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  351}
   (( segid "    " and resid 76   and name H   ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  351}
   (( segid "    " and resid 76   and name H   ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  351}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 52   and name HG13))
 OR {  351}
   (( segid "    " and resid 3    and name H   ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  351}
   (( segid "    " and resid 76   and name H   ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  351}
   (( segid "    " and resid 3    and name H   ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  351}
   (( segid "    " and resid 76   and name H   ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  351}
   (( segid "    " and resid 76   and name H   ))
   (  segid "    " and resid 3    and name HD1%)
 OR {  351}
   (( segid "    " and resid 3    and name H   ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  351}
   (( segid "    " and resid 76   and name H   ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  351}
   (( segid "    " and resid 76   and name H   ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  351}
   (( segid "    " and resid 76   and name H   ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  351}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {  351}
   (( segid "    " and resid 3    and name H   ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  351}
   (( segid "    " and resid 3    and name H   ))
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  352}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 76   and name HB2 ))
      2.500     0.800     0.800 peak   352 spectrum    1 weight  0.10000E+01 volume  0.90786E-02 ppm1      8.268 ppm2      1.578 CV     1
 OR {  352}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 3    and name HG  ))
 OR {  352}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 76   and name HG  ))
 OR {  352}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {  352}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {  352}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 78   and name HD2 ))
 OR {  352}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 78   and name HD3 ))
 OR {  352}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 13   and name HG  ))
 OR {  352}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 31   and name HB2 ))
 OR {  352}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {  352}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {  352}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {  352}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {  352}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {  352}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 21   and name HD2 ))
 OR {  352}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 22   and name HB3 ))
 OR {  352}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 21   and name HD3 ))
 OR {  352}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 70   and name HG2 ))
 OR {  352}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 70   and name HG3 ))
 OR {  352}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 84   and name HB3 ))
 OR {  352}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 84   and name HG  ))
 OR {  352}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 45   and name HG  ))
 OR {  352}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 45   and name HB3 ))
 OR {  352}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {  352}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 85   and name HG3 ))
 OR {  352}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 47   and name HG  ))
 OR {  352}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 86   and name HD3 ))
 OR {  352}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 86   and name HD2 ))
 OR {  352}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 61   and name HB3 ))
 OR {  352}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 61   and name HB3 ))
 OR {  352}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 47   and name HG  ))
 OR {  352}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 45   and name HG  ))
 OR {  352}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 45   and name HB3 ))
 OR {  352}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 70   and name HG3 ))
 OR {  352}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 70   and name HG2 ))
 OR {  352}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {  352}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {  352}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 13   and name HG  ))
 OR {  352}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 31   and name HB2 ))
 OR {  352}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {  352}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {  352}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 76   and name HB2 ))
 OR {  352}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 3    and name HG  ))
 OR {  352}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 76   and name HG  ))
 OR {  352}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {  352}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {  352}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 78   and name HD2 ))
 OR {  352}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 78   and name HD3 ))
 OR {  352}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {  352}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 22   and name HB3 ))
 OR {  352}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 21   and name HD2 ))
 OR {  352}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 21   and name HD3 ))
 OR {  352}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 84   and name HB3 ))
 OR {  352}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 84   and name HG  ))
 OR {  352}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {  352}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 85   and name HG3 ))
 OR {  352}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 86   and name HD3 ))
 OR {  352}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 86   and name HD2 ))
 ASSI {  353}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 3    and name HB2 ))
      2.200     0.600     0.600 peak   353 spectrum    1 weight  0.10000E+01 volume  0.19238E-01 ppm1      8.269 ppm2      1.480 CV     1
 OR {  353}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 76   and name HB3 ))
 OR {  353}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 76   and name HB2 ))
 OR {  353}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 2    and name HB3 ))
 OR {  353}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 3    and name HB3 ))
 OR {  353}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 2    and name HB2 ))
 OR {  353}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 2    and name HG  ))
 OR {  353}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 18   and name HB2 ))
 OR {  353}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 15   and name HB2 ))
 OR {  353}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {  353}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 15   and name HG2 ))
 OR {  353}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 79   and name HG  ))
 OR {  353}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 79   and name HB2 ))
 OR {  353}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 27   and name HG12))
 OR {  353}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 72   and name HB3 ))
 OR {  353}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 72   and name HG  ))
 OR {  353}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 23   and name HB2 ))
 OR {  353}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 21   and name HG2 ))
 OR {  353}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 22   and name HG  ))
 OR {  353}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 70   and name HG3 ))
 OR {  353}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 84   and name HB2 ))
 OR {  353}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 52   and name HB  ))
 OR {  353}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 84   and name HG  ))
 OR {  353}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {  353}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 85   and name HG3 ))
 OR {  353}
   (( segid "    " and resid 3    and name H   ))
   (  segid "    " and resid 48   and name HB% )
 OR {  353}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 47   and name HG  ))
 OR {  353}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 50   and name HG2 ))
 OR {  353}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 61   and name HB3 ))
 OR {  353}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 61   and name HB3 ))
 OR {  353}
   (( segid "    " and resid 76   and name H   ))
   (  segid "    " and resid 48   and name HB% )
 OR {  353}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 47   and name HG  ))
 OR {  353}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 50   and name HG2 ))
 OR {  353}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 52   and name HB  ))
 OR {  353}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 70   and name HG3 ))
 OR {  353}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 72   and name HB3 ))
 OR {  353}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 72   and name HG  ))
 OR {  353}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 15   and name HG2 ))
 OR {  353}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 15   and name HB2 ))
 OR {  353}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 3    and name HB3 ))
 OR {  353}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {  353}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 3    and name HB2 ))
 OR {  353}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 76   and name HB2 ))
 OR {  353}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 76   and name HB3 ))
 OR {  353}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 2    and name HB3 ))
 OR {  353}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 27   and name HG12))
 OR {  353}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 2    and name HB2 ))
 OR {  353}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 2    and name HG  ))
 OR {  353}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 18   and name HB2 ))
 OR {  353}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 23   and name HB2 ))
 OR {  353}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 79   and name HG  ))
 OR {  353}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 79   and name HB2 ))
 OR {  353}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 22   and name HG  ))
 OR {  353}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 21   and name HG2 ))
 OR {  353}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 84   and name HB2 ))
 OR {  353}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 84   and name HG  ))
 OR {  353}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {  353}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 85   and name HG3 ))
 ASSI {  354}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 77   and name HG2 ))
      5.200     3.400     0.800 peak   354 spectrum    1 weight  0.10000E+01 volume  0.28630E-03 ppm1      8.267 ppm2      1.882 CV     1
 OR {  354}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 4    and name HB2 ))
 OR {  354}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 4    and name HG3 ))
 OR {  354}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 77   and name HG3 ))
 OR {  354}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 5    and name HG3 ))
 OR {  354}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 5    and name HB3 ))
 OR {  354}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 17   and name HG2 ))
 OR {  354}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 15   and name HB3 ))
 OR {  354}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 5    and name HG2 ))
 OR {  354}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 27   and name HB  ))
 OR {  354}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 28   and name HB3 ))
 OR {  354}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 24   and name HB2 ))
 OR {  354}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 13   and name HB3 ))
 OR {  354}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 12   and name HB2 ))
 OR {  354}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 32   and name HB2 ))
 OR {  354}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 41   and name HG3 ))
 OR {  354}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 69   and name HB2 ))
 OR {  354}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 83   and name HB2 ))
 OR {  354}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 44   and name HB  ))
 OR {  354}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 68   and name HB2 ))
 OR {  354}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 68   and name HG2 ))
 OR {  354}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 50   and name HB3 ))
 OR {  354}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 49   and name HB3 ))
 OR {  354}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 47   and name HB3 ))
 OR {  354}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 66   and name HB2 ))
 OR {  354}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 87   and name HB3 ))
 OR {  354}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 56   and name HB3 ))
 OR {  354}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 56   and name HB3 ))
 OR {  354}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 66   and name HB2 ))
 OR {  354}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 47   and name HB3 ))
 OR {  354}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 49   and name HB3 ))
 OR {  354}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 50   and name HB3 ))
 OR {  354}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 68   and name HG2 ))
 OR {  354}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 68   and name HB2 ))
 OR {  354}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 44   and name HB  ))
 OR {  354}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 69   and name HB2 ))
 OR {  354}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 41   and name HG3 ))
 OR {  354}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 12   and name HB2 ))
 OR {  354}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 13   and name HB3 ))
 OR {  354}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 32   and name HB2 ))
 OR {  354}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 5    and name HG2 ))
 OR {  354}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 15   and name HB3 ))
 OR {  354}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 5    and name HB3 ))
 OR {  354}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 5    and name HG3 ))
 OR {  354}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 4    and name HB2 ))
 OR {  354}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 28   and name HB3 ))
 OR {  354}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 4    and name HG3 ))
 OR {  354}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 27   and name HB  ))
 OR {  354}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 17   and name HG2 ))
 OR {  354}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 77   and name HG2 ))
 OR {  354}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 77   and name HG3 ))
 OR {  354}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 24   and name HB2 ))
 OR {  354}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 83   and name HB2 ))
 OR {  354}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 87   and name HB3 ))
 ASSI {  355}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 77   and name HB3 ))
      5.700     4.100     0.300 peak   355 spectrum    1 weight  0.10000E+01 volume  0.22241E-03 ppm1      8.268 ppm2      2.156 CV     1
 OR {  355}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 17   and name HB2 ))
 OR {  355}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 5    and name HB2 ))
 OR {  355}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 28   and name HG3 ))
 OR {  355}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 26   and name HB  ))
 OR {  355}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 30   and name HG3 ))
 OR {  355}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 30   and name HB3 ))
 OR {  355}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 32   and name HG3 ))
 OR {  355}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 69   and name HG3 ))
 OR {  355}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 69   and name HG2 ))
 OR {  355}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 54   and name HB  ))
 OR {  355}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 66   and name HG2 ))
 OR {  355}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 66   and name HG2 ))
 OR {  355}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 54   and name HB  ))
 OR {  355}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 69   and name HG2 ))
 OR {  355}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 69   and name HG3 ))
 OR {  355}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 32   and name HG3 ))
 OR {  355}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 5    and name HB2 ))
 OR {  355}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 30   and name HB3 ))
 OR {  355}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 30   and name HG3 ))
 OR {  355}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 28   and name HG3 ))
 OR {  355}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 17   and name HB2 ))
 OR {  355}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 26   and name HB  ))
 OR {  355}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 77   and name HB3 ))
 ASSI {  356}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 1    and name HB3 ))
      3.000     1.100     1.100 peak   356 spectrum    1 weight  0.10000E+01 volume  0.47795E-03 ppm1      8.268 ppm2      3.121 CV     1
 OR {  356}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 1    and name HB2 ))
 OR {  356}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 14   and name HB3 ))
 OR {  356}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 14   and name HB2 ))
 OR {  356}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 24   and name HD3 ))
 OR {  356}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 24   and name HD2 ))
 OR {  356}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 39   and name HB2 ))
 OR {  356}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 38   and name HB3 ))
 OR {  356}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 50   and name HD3 ))
 OR {  356}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 46   and name HB2 ))
 OR {  356}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 58   and name HB3 ))
 OR {  356}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 64   and name HB2 ))
 OR {  356}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 65   and name HB2 ))
 OR {  356}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 67   and name HB3 ))
 OR {  356}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 67   and name HB2 ))
 OR {  356}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 70   and name HD2 ))
 OR {  356}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 70   and name HD3 ))
 OR {  356}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 73   and name HB2 ))
 OR {  356}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 81   and name HB2 ))
 OR {  356}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 85   and name HD3 ))
 OR {  356}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 85   and name HD2 ))
 ASSI {  357}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 4    and name HD2 ))
      2.100     0.600     0.600 peak   357 spectrum    1 weight  0.10000E+01 volume  0.84706E-03 ppm1      8.270 ppm2      3.525 CV     1
 OR {  357}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 77   and name HD2 ))
 OR {  357}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 5    and name HD3 ))
 OR {  357}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 17   and name HD2 ))
 OR {  357}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 5    and name HD3 ))
 OR {  357}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 4    and name HD2 ))
 OR {  357}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 17   and name HD2 ))
 OR {  357}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 77   and name HD2 ))
 ASSI {  358}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 77   and name HD3 ))
      4.700     2.700     1.300 peak   358 spectrum    1 weight  0.10000E+01 volume  0.67433E-03 ppm1      8.269 ppm2      3.736 CV     1
 OR {  358}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 88   and name HA3 ))
 OR {  358}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 88   and name HA2 ))
 OR {  358}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 36   and name HA2 ))
 OR {  358}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 5    and name HD2 ))
 OR {  358}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 17   and name HD3 ))
 OR {  358}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 21   and name HA  ))
 ASSI {  359}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 39   and name HB3 ))
      3.000     1.100     1.100 peak   359 spectrum    1 weight  0.10000E+01 volume  0.25080E-03 ppm1      8.268 ppm2      3.386 CV     1
 OR {  359}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 51   and name HB3 ))
 OR {  359}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 51   and name HB2 ))
 ASSI {  360}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 74   and name HA2 ))
      2.700     0.900     0.900 peak   360 spectrum    1 weight  0.10000E+01 volume  0.45192E-03 ppm1      8.269 ppm2      3.944 CV     1
 OR {  360}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 74   and name HA3 ))
 OR {  360}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 22   and name HA  ))
 OR {  360}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 68   and name HA  ))
 OR {  360}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 48   and name HA  ))
 OR {  360}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 62   and name HB3 ))
 OR {  360}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 62   and name HB2 ))
 OR {  360}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 61   and name HA  ))
 OR {  360}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 60   and name HB3 ))
 OR {  360}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 60   and name HB3 ))
 OR {  360}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 61   and name HA  ))
 OR {  360}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 62   and name HB2 ))
 OR {  360}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 62   and name HB3 ))
 OR {  360}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 48   and name HA  ))
 OR {  360}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 68   and name HA  ))
 OR {  360}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 74   and name HA3 ))
 OR {  360}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 74   and name HA2 ))
 OR {  360}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 22   and name HA  ))
 ASSI {  361}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 2    and name HA  ))
      1.800     0.400     0.400 peak   361 spectrum    1 weight  0.10000E+01 volume  0.22445E-01 ppm1      8.269 ppm2      4.334 CV     1
 OR {  361}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 75   and name HA  ))
 OR {  361}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 77   and name HA  ))
 OR {  361}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 5    and name HA  ))
 OR {  361}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 16   and name HA  ))
 OR {  361}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 15   and name HA  ))
 OR {  361}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 19   and name HA  ))
 OR {  361}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 6    and name HA  ))
 OR {  361}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 13   and name HA  ))
 OR {  361}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 25   and name HA  ))
 OR {  361}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 8    and name HA  ))
 OR {  361}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 33   and name HA  ))
 OR {  361}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 11   and name HA  ))
 OR {  361}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 42   and name HA  ))
 OR {  361}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 83   and name HA  ))
 OR {  361}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 55   and name HA  ))
 OR {  361}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 56   and name HA  ))
 OR {  361}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 64   and name HA  ))
 OR {  361}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 60   and name HA  ))
 OR {  361}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 60   and name HA  ))
 OR {  361}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 64   and name HA  ))
 OR {  361}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 56   and name HA  ))
 OR {  361}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 55   and name HA  ))
 OR {  361}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 42   and name HA  ))
 OR {  361}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 11   and name HA  ))
 OR {  361}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 8    and name HA  ))
 OR {  361}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 13   and name HA  ))
 OR {  361}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 33   and name HA  ))
 OR {  361}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 6    and name HA  ))
 OR {  361}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 5    and name HA  ))
 OR {  361}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 15   and name HA  ))
 OR {  361}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 75   and name HA  ))
 OR {  361}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 16   and name HA  ))
 OR {  361}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 2    and name HA  ))
 OR {  361}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 77   and name HA  ))
 OR {  361}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 25   and name HA  ))
 OR {  361}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 19   and name HA  ))
 OR {  361}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 83   and name HA  ))
 ASSI {  362}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 76   and name HA  ))
      2.400     0.700     0.700 peak   362 spectrum    1 weight  0.10000E+01 volume  0.64924E-02 ppm1      8.268 ppm2      4.538 CV     1
 OR {  362}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 3    and name HA  ))
 OR {  362}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 17   and name HA  ))
 OR {  362}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 4    and name HA  ))
 OR {  362}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 73   and name HA  ))
 OR {  362}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 14   and name HA  ))
 OR {  362}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 32   and name HA  ))
 OR {  362}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 12   and name HA  ))
 OR {  362}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 9    and name HA  ))
 OR {  362}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 10   and name HA  ))
 OR {  362}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 44   and name HA  ))
 OR {  362}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 45   and name HA  ))
 OR {  362}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 87   and name HA  ))
 OR {  362}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 57   and name HA  ))
 OR {  362}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 57   and name HA  ))
 OR {  362}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 45   and name HA  ))
 OR {  362}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 44   and name HA  ))
 OR {  362}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 10   and name HA  ))
 OR {  362}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 9    and name HA  ))
 OR {  362}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 12   and name HA  ))
 OR {  362}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 73   and name HA  ))
 OR {  362}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 14   and name HA  ))
 OR {  362}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 32   and name HA  ))
 OR {  362}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 4    and name HA  ))
 OR {  362}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 3    and name HA  ))
 OR {  362}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 76   and name HA  ))
 OR {  362}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 17   and name HA  ))
 OR {  362}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 87   and name HA  ))
 ASSI {  363}
   (( segid "    " and resid 3    and name H   ))
   (  segid "    " and resid 1    and name HD% )
      5.100     3.300     0.900 peak   363 spectrum    1 weight  0.10000E+01 volume  0.24370E-03 ppm1      8.270 ppm2      7.156 CV     1
 OR {  363}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 73   and name HD2 ))
 OR {  363}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 26   and name H   ))
 OR {  363}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 39   and name HD2 ))
 OR {  363}
   (( segid "    " and resid 76   and name H   ))
   (  segid "    " and resid 81   and name HD% )
 OR {  363}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 70   and name HE  ))
 OR {  363}
   (( segid "    " and resid 76   and name H   ))
   (  segid "    " and resid 81   and name HE% )
 OR {  363}
   (( segid "    " and resid 3    and name H   ))
   (  segid "    " and resid 43   and name HE% )
 OR {  363}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 50   and name HE  ))
 OR {  363}
   (( segid "    " and resid 76   and name H   ))
   (  segid "    " and resid 65   and name HD% )
 OR {  363}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 85   and name HE  ))
 OR {  363}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 64   and name HZ2 ))
 OR {  363}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 58   and name HD22))
 OR {  363}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 58   and name HD22))
 OR {  363}
   (( segid "    " and resid 3    and name H   ))
   (  segid "    " and resid 65   and name HD% )
 OR {  363}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 64   and name HZ2 ))
 OR {  363}
   (( segid "    " and resid 76   and name H   ))
   (  segid "    " and resid 43   and name HE% )
 OR {  363}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 50   and name HE  ))
 OR {  363}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 70   and name HE  ))
 OR {  363}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 39   and name HD2 ))
 OR {  363}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 73   and name HD2 ))
 OR {  363}
   (( segid "    " and resid 76   and name H   ))
   (  segid "    " and resid 1    and name HD% )
 OR {  363}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 26   and name H   ))
 OR {  363}
   (( segid "    " and resid 3    and name H   ))
   (  segid "    " and resid 81   and name HD% )
 OR {  363}
   (( segid "    " and resid 3    and name H   ))
   (  segid "    " and resid 81   and name HE% )
 OR {  363}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 85   and name HE  ))
 ASSI {  364}
   (( segid "    " and resid 3    and name H   ))
   (  segid "    " and resid 14   and name HE% )
      5.500     3.700     0.500 peak   364 spectrum    1 weight  0.10000E+01 volume  0.23187E-03 ppm1      8.272 ppm2      6.658 CV     1
 OR {  364}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 28   and name HE22))
 OR {  364}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 64   and name HZ3 ))
 OR {  364}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 64   and name HZ3 ))
 OR {  364}
   (( segid "    " and resid 76   and name H   ))
   (  segid "    " and resid 14   and name HE% )
 OR {  364}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 28   and name HE22))
 ASSI {  365}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 29   and name HA  ))
      2.700     0.900     0.900 peak   365 spectrum    1 weight  0.10000E+01 volume  0.23353E-02 ppm1      9.034 ppm2      4.902 CV     1
 OR {  365}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 30   and name HA  ))
 OR {  365}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 29   and name HA  ))
 OR {  365}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 30   and name HA  ))
 ASSI {  366}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 24   and name HD2 ))
      3.300     1.300     1.300 peak   366 spectrum    1 weight  0.10000E+01 volume  0.25317E-03 ppm1      9.030 ppm2      3.180 CV     1
 OR {  366}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 1    and name HB3 ))
 OR {  366}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 38   and name HB3 ))
 OR {  366}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 39   and name HB2 ))
 OR {  366}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 1    and name HB3 ))
 OR {  366}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 24   and name HD2 ))
 OR {  366}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 38   and name HB3 ))
 OR {  366}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 39   and name HB2 ))
 OR {  366}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 46   and name HB2 ))
 OR {  366}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 46   and name HB2 ))
 OR {  366}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 64   and name HB2 ))
 OR {  366}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 65   and name HB2 ))
 OR {  366}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 64   and name HB2 ))
 OR {  366}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 65   and name HB2 ))
 OR {  366}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 67   and name HB2 ))
 OR {  366}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 67   and name HB2 ))
 OR {  366}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 73   and name HB2 ))
 OR {  366}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 73   and name HB3 ))
 OR {  366}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 73   and name HB2 ))
 OR {  366}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 73   and name HB3 ))
 ASSI {  367}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 30   and name HG3 ))
      3.900     1.900     1.900 peak   367 spectrum    1 weight  0.10000E+01 volume  0.12043E-02 ppm1      9.034 ppm2      2.136 CV     1
 OR {  367}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 30   and name HB3 ))
 OR {  367}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 26   and name HB  ))
 OR {  367}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 28   and name HG3 ))
 OR {  367}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 28   and name HG3 ))
 OR {  367}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 17   and name HB2 ))
 OR {  367}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 30   and name HB3 ))
 OR {  367}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 30   and name HG3 ))
 OR {  367}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 5    and name HB2 ))
 OR {  367}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 32   and name HG3 ))
 OR {  367}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 33   and name HG3 ))
 OR {  367}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 17   and name HB2 ))
 OR {  367}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 26   and name HB  ))
 OR {  367}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 5    and name HB2 ))
 OR {  367}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 32   and name HG3 ))
 OR {  367}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 33   and name HG3 ))
 OR {  367}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 59   and name HG3 ))
 OR {  367}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 59   and name HG3 ))
 OR {  367}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 66   and name HG2 ))
 OR {  367}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 66   and name HG2 ))
 OR {  367}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 69   and name HG2 ))
 OR {  367}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 69   and name HG2 ))
 OR {  367}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 77   and name HB3 ))
 OR {  367}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 77   and name HB3 ))
 OR {  367}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 87   and name HB2 ))
 OR {  367}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 87   and name HB2 ))
 ASSI {  368}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 27   and name HB  ))
      3.200     1.300     1.300 peak   368 spectrum    1 weight  0.10000E+01 volume  0.14859E-02 ppm1      9.027 ppm2      1.817 CV     1
 OR {  368}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 29   and name HB  ))
 OR {  368}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 16   and name HB2 ))
 OR {  368}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 18   and name HG  ))
 OR {  368}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 28   and name HB3 ))
 OR {  368}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 27   and name HB  ))
 OR {  368}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 24   and name HB3 ))
 OR {  368}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 24   and name HB2 ))
 OR {  368}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 28   and name HB3 ))
 OR {  368}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 17   and name HG2 ))
 OR {  368}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 16   and name HB2 ))
 OR {  368}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 32   and name HB3 ))
 OR {  368}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 24   and name HG2 ))
 OR {  368}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 17   and name HB3 ))
 OR {  368}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 15   and name HB3 ))
 OR {  368}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 5    and name HB3 ))
 OR {  368}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 29   and name HB  ))
 OR {  368}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 17   and name HG2 ))
 OR {  368}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 17   and name HB3 ))
 OR {  368}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 4    and name HB2 ))
 OR {  368}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 18   and name HG  ))
 OR {  368}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 4    and name HB2 ))
 OR {  368}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 5    and name HB3 ))
 OR {  368}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 15   and name HB3 ))
 OR {  368}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 32   and name HB3 ))
 OR {  368}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 24   and name HB3 ))
 OR {  368}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 24   and name HB2 ))
 OR {  368}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 24   and name HG2 ))
 OR {  368}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 41   and name HB3 ))
 OR {  368}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 41   and name HB2 ))
 OR {  368}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 41   and name HG3 ))
 OR {  368}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 41   and name HB3 ))
 OR {  368}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 41   and name HB2 ))
 OR {  368}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 50   and name HB3 ))
 OR {  368}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 41   and name HG3 ))
 OR {  368}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 50   and name HB2 ))
 OR {  368}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 50   and name HB3 ))
 OR {  368}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 56   and name HB3 ))
 OR {  368}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 50   and name HB2 ))
 OR {  368}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 56   and name HB3 ))
 OR {  368}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 68   and name HG2 ))
 OR {  368}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 68   and name HB2 ))
 OR {  368}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 70   and name HB3 ))
 OR {  368}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 68   and name HG2 ))
 OR {  368}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 68   and name HB2 ))
 OR {  368}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 70   and name HB3 ))
 OR {  368}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 77   and name HG2 ))
 OR {  368}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 77   and name HG3 ))
 OR {  368}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 77   and name HB2 ))
 OR {  368}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 77   and name HG2 ))
 OR {  368}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 77   and name HG3 ))
 OR {  368}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 77   and name HB2 ))
 OR {  368}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 85   and name HB3 ))
 OR {  368}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 86   and name HB3 ))
 OR {  368}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 85   and name HB3 ))
 OR {  368}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 86   and name HB3 ))
 ASSI {  369}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 27   and name HG13))
      2.500     0.800     0.800 peak   369 spectrum    1 weight  0.10000E+01 volume  0.97010E-03 ppm1      9.026 ppm2      1.050 CV     1
 OR {  369}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 27   and name HG13))
 OR {  369}
   (( segid "    " and resid 30   and name H   ))
   (  segid "    " and resid 11   and name HG2%)
 OR {  369}
   (( segid "    " and resid 30   and name H   ))
   (  segid "    " and resid 42   and name HB% )
 OR {  369}
   (( segid "    " and resid 27   and name H   ))
   (  segid "    " and resid 11   and name HG2%)
 OR {  369}
   (( segid "    " and resid 27   and name H   ))
   (  segid "    " and resid 42   and name HB% )
 ASSI {  370}
   (( segid "    " and resid 27   and name H   ))
   (  segid "    " and resid 26   and name HG1%)
      4.000     2.000     2.000 peak   370 spectrum    1 weight  0.10000E+01 volume  0.12564E-02 ppm1      9.026 ppm2      0.862 CV     1
 OR {  370}
   (( segid "    " and resid 27   and name H   ))
   (  segid "    " and resid 27   and name HG2%)
 OR {  370}
   (( segid "    " and resid 30   and name H   ))
   (  segid "    " and resid 27   and name HG2%)
 OR {  370}
   (( segid "    " and resid 27   and name H   ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  370}
   (( segid "    " and resid 27   and name H   ))
   (  segid "    " and resid 3    and name HD1%)
 OR {  370}
   (( segid "    " and resid 30   and name H   ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  370}
   (( segid "    " and resid 30   and name H   ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  370}
   (( segid "    " and resid 30   and name H   ))
   (  segid "    " and resid 3    and name HD1%)
 OR {  370}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {  370}
   (( segid "    " and resid 30   and name H   ))
   (  segid "    " and resid 13   and name HD1%)
 OR {  370}
   (( segid "    " and resid 27   and name H   ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  370}
   (( segid "    " and resid 30   and name H   ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  370}
   (( segid "    " and resid 27   and name H   ))
   (  segid "    " and resid 13   and name HD1%)
 OR {  370}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {  370}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 52   and name HG13))
 OR {  370}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 52   and name HG13))
 OR {  370}
   (( segid "    " and resid 30   and name H   ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  370}
   (( segid "    " and resid 30   and name H   ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  370}
   (( segid "    " and resid 27   and name H   ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  370}
   (( segid "    " and resid 27   and name H   ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  370}
   (( segid "    " and resid 30   and name H   ))
   (  segid "    " and resid 84   and name HD1%)
 OR {  370}
   (( segid "    " and resid 27   and name H   ))
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  371}
   (( segid "    " and resid 30   and name H   ))
   (  segid "    " and resid 29   and name HG1%)
      3.200     1.300     1.300 peak   371 spectrum    1 weight  0.10000E+01 volume  0.23566E-02 ppm1      9.028 ppm2      0.710 CV     1
 OR {  371}
   (( segid "    " and resid 27   and name H   ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  371}
   (( segid "    " and resid 27   and name H   ))
   (  segid "    " and resid 26   and name HG2%)
 OR {  371}
   (( segid "    " and resid 27   and name H   ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  371}
   (( segid "    " and resid 30   and name H   ))
   (  segid "    " and resid 31   and name HD1%)
 OR {  371}
   (( segid "    " and resid 27   and name H   ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  371}
   (( segid "    " and resid 30   and name H   ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  371}
   (( segid "    " and resid 30   and name H   ))
   (  segid "    " and resid 26   and name HG2%)
 OR {  371}
   (( segid "    " and resid 27   and name H   ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  371}
   (( segid "    " and resid 30   and name H   ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  371}
   (( segid "    " and resid 27   and name H   ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  371}
   (( segid "    " and resid 27   and name H   ))
   (  segid "    " and resid 31   and name HD1%)
 OR {  371}
   (( segid "    " and resid 27   and name H   ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  371}
   (( segid "    " and resid 27   and name H   ))
   (  segid "    " and resid 22   and name HD2%)
 OR {  371}
   (( segid "    " and resid 30   and name H   ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  371}
   (( segid "    " and resid 30   and name H   ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  371}
   (( segid "    " and resid 30   and name H   ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  371}
   (( segid "    " and resid 30   and name H   ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  371}
   (( segid "    " and resid 30   and name H   ))
   (  segid "    " and resid 22   and name HD2%)
 OR {  371}
   (( segid "    " and resid 30   and name H   ))
   (  segid "    " and resid 52   and name HG2%)
 OR {  371}
   (( segid "    " and resid 27   and name H   ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  371}
   (( segid "    " and resid 30   and name H   ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  371}
   (( segid "    " and resid 27   and name H   ))
   (  segid "    " and resid 52   and name HG2%)
 OR {  371}
   (( segid "    " and resid 30   and name H   ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  371}
   (( segid "    " and resid 27   and name H   ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  371}
   (( segid "    " and resid 30   and name H   ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  371}
   (( segid "    " and resid 27   and name H   ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  371}
   (( segid "    " and resid 27   and name H   ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  371}
   (( segid "    " and resid 30   and name H   ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  371}
   (( segid "    " and resid 27   and name H   ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  371}
   (( segid "    " and resid 30   and name H   ))
   (  segid "    " and resid 79   and name HD1%)
 OR {  371}
   (( segid "    " and resid 30   and name H   ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  371}
   (( segid "    " and resid 27   and name H   ))
   (  segid "    " and resid 79   and name HD1%)
 OR {  371}
   (( segid "    " and resid 27   and name H   ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  371}
   (( segid "    " and resid 30   and name H   ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  371}
   (( segid "    " and resid 27   and name H   ))
   (  segid "    " and resid 84   and name HD2%)
 ASSI {  372}
   (( segid "    " and resid 30   and name H   ))
   (  segid "    " and resid 29   and name HG2%)
      5.100     3.200     0.900 peak   372 spectrum    1 weight  0.10000E+01 volume  0.51817E-03 ppm1      9.030 ppm2      0.551 CV     1
 OR {  372}
   (( segid "    " and resid 27   and name H   ))
   (  segid "    " and resid 29   and name HG2%)
 OR {  372}
   (( segid "    " and resid 30   and name H   ))
   (  segid "    " and resid 13   and name HD2%)
 OR {  372}
   (( segid "    " and resid 27   and name H   ))
   (  segid "    " and resid 23   and name HD1%)
 OR {  372}
   (( segid "    " and resid 27   and name H   ))
   (  segid "    " and resid 13   and name HD2%)
 OR {  372}
   (( segid "    " and resid 30   and name H   ))
   (  segid "    " and resid 23   and name HD1%)
 OR {  372}
   (( segid "    " and resid 30   and name H   ))
   (  segid "    " and resid 45   and name HD2%)
 OR {  372}
   (( segid "    " and resid 30   and name H   ))
   (  segid "    " and resid 45   and name HD1%)
 OR {  372}
   (( segid "    " and resid 27   and name H   ))
   (  segid "    " and resid 45   and name HD2%)
 OR {  372}
   (( segid "    " and resid 27   and name H   ))
   (  segid "    " and resid 45   and name HD1%)
 ASSI {  373}
   (( segid "    " and resid 30   and name H   ))
   (  segid "    " and resid 31   and name HD2%)
      5.200     3.400     0.800 peak   373 spectrum    1 weight  0.10000E+01 volume  0.32652E-03 ppm1      9.033 ppm2      0.410 CV     1
 OR {  373}
   (( segid "    " and resid 27   and name H   ))
   (  segid "    " and resid 31   and name HD2%)
 OR {  373}
   (( segid "    " and resid 30   and name H   ))
   (  segid "    " and resid 52   and name HD1%)
 OR {  373}
   (( segid "    " and resid 30   and name H   ))
   (  segid "    " and resid 44   and name HG1%)
 OR {  373}
   (( segid "    " and resid 27   and name H   ))
   (  segid "    " and resid 52   and name HD1%)
 OR {  373}
   (( segid "    " and resid 27   and name H   ))
   (  segid "    " and resid 44   and name HG1%)
 OR {  373}
   (( segid "    " and resid 30   and name H   ))
   (  segid "    " and resid 61   and name HD2%)
 OR {  373}
   (( segid "    " and resid 30   and name H   ))
   (  segid "    " and resid 61   and name HD1%)
 OR {  373}
   (( segid "    " and resid 27   and name H   ))
   (  segid "    " and resid 61   and name HD2%)
 OR {  373}
   (( segid "    " and resid 27   and name H   ))
   (  segid "    " and resid 61   and name HD1%)
 ASSI {  374}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 85   and name HB2 ))
      5.700     4.100     0.300 peak   374 spectrum    1 weight  0.10000E+01 volume  0.24608E-03 ppm1      7.193 ppm2      1.727 CV     1
 OR {  374}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 70   and name HB3 ))
 OR {  374}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 85   and name HB3 ))
 OR {  374}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 70   and name HB2 ))
 OR {  374}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 71   and name HB3 ))
 OR {  374}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 86   and name HB3 ))
 OR {  374}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 71   and name HB2 ))
 OR {  374}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 86   and name HB2 ))
 OR {  374}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 68   and name HG3 ))
 OR {  374}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 68   and name HB3 ))
 OR {  374}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 77   and name HB2 ))
 OR {  374}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 78   and name HB3 ))
 OR {  374}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 78   and name HB2 ))
 OR {  374}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 78   and name HB2 ))
 OR {  374}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 78   and name HB3 ))
 OR {  374}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 77   and name HB2 ))
 OR {  374}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 85   and name HB3 ))
 OR {  374}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 85   and name HB2 ))
 OR {  374}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 71   and name HB3 ))
 OR {  374}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 86   and name HB2 ))
 OR {  374}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 71   and name HB2 ))
 OR {  374}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 86   and name HB3 ))
 OR {  374}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 70   and name HB3 ))
 OR {  374}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 56   and name HG3 ))
 OR {  374}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 70   and name HB2 ))
 OR {  374}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 68   and name HG3 ))
 OR {  374}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {  374}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 68   and name HB3 ))
 OR {  374}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 41   and name HB2 ))
 OR {  374}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 41   and name HB3 ))
 OR {  374}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 32   and name HB3 ))
 OR {  374}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 29   and name HB  ))
 OR {  374}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 16   and name HB2 ))
 OR {  374}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 17   and name HB3 ))
 OR {  374}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 18   and name HG  ))
 OR {  374}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 25   and name HD3 ))
 OR {  374}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 24   and name HB3 ))
 OR {  374}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 24   and name HG2 ))
 OR {  374}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 24   and name HG3 ))
 OR {  374}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 56   and name HG3 ))
 OR {  374}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 21   and name HB3 ))
 OR {  374}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 21   and name HB2 ))
 OR {  374}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {  374}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 41   and name HB2 ))
 OR {  374}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 41   and name HB3 ))
 OR {  374}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 32   and name HB3 ))
 OR {  374}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 29   and name HB  ))
 OR {  374}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 16   and name HB2 ))
 OR {  374}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 17   and name HB3 ))
 OR {  374}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 18   and name HG  ))
 OR {  374}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 25   and name HD3 ))
 OR {  374}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 24   and name HB3 ))
 OR {  374}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 24   and name HG2 ))
 OR {  374}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 24   and name HG3 ))
 OR {  374}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 21   and name HB3 ))
 OR {  374}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 21   and name HB2 ))
 ASSI {  375}
   (( segid "    " and resid 12   and name HE22))
   (( segid "    " and resid 37   and name HA  ))
      5.100     3.300     0.900 peak   375 spectrum    1 weight  0.10000E+01 volume  0.29339E-03 ppm1      7.446 ppm2      4.235 CV     1
 OR {  375}
   (( segid "    " and resid 12   and name HE22))
   (( segid "    " and resid 8    and name HA  ))
 OR {  375}
   (( segid "    " and resid 12   and name HE22))
   (( segid "    " and resid 7    and name HA  ))
 OR {  375}
   (( segid "    " and resid 12   and name HE22))
   (( segid "    " and resid 11   and name HA  ))
 OR {  375}
   (( segid "    " and resid 12   and name HE22))
   (( segid "    " and resid 11   and name HB  ))
 OR {  375}
   (( segid "    " and resid 12   and name HE22))
   (( segid "    " and resid 27   and name HA  ))
 OR {  375}
   (( segid "    " and resid 12   and name HE22))
   (( segid "    " and resid 20   and name HA  ))
 OR {  375}
   (( segid "    " and resid 12   and name HE22))
   (( segid "    " and resid 64   and name HA  ))
 OR {  375}
   (( segid "    " and resid 12   and name HE22))
   (( segid "    " and resid 72   and name HA  ))
 OR {  375}
   (( segid "    " and resid 12   and name HE22))
   (( segid "    " and resid 75   and name HA  ))
 OR {  375}
   (( segid "    " and resid 12   and name HE22))
   (( segid "    " and resid 78   and name HA  ))
 OR {  375}
   (( segid "    " and resid 12   and name HE22))
   (( segid "    " and resid 79   and name HA  ))
 OR {  375}
   (( segid "    " and resid 12   and name HE22))
   (( segid "    " and resid 84   and name HA  ))
 OR {  375}
   (( segid "    " and resid 12   and name HE22))
   (( segid "    " and resid 85   and name HA  ))
 OR {  375}
   (( segid "    " and resid 12   and name HE22))
   (( segid "    " and resid 86   and name HA  ))
 ASSI {  376}
   (( segid "    " and resid 12   and name HE21))
   (( segid "    " and resid 37   and name HA  ))
      4.400     2.400     1.600 peak   376 spectrum    1 weight  0.10000E+01 volume  0.28156E-03 ppm1      6.816 ppm2      4.240 CV     1
 OR {  376}
   (( segid "    " and resid 12   and name HE21))
   (( segid "    " and resid 8    and name HA  ))
 OR {  376}
   (( segid "    " and resid 12   and name HE21))
   (( segid "    " and resid 7    and name HA  ))
 OR {  376}
   (( segid "    " and resid 12   and name HE21))
   (( segid "    " and resid 11   and name HA  ))
 OR {  376}
   (( segid "    " and resid 12   and name HE21))
   (( segid "    " and resid 11   and name HB  ))
 OR {  376}
   (( segid "    " and resid 12   and name HE21))
   (( segid "    " and resid 16   and name HA  ))
 OR {  376}
   (( segid "    " and resid 12   and name HE21))
   (( segid "    " and resid 27   and name HA  ))
 OR {  376}
   (( segid "    " and resid 12   and name HE21))
   (( segid "    " and resid 20   and name HA  ))
 OR {  376}
   (( segid "    " and resid 12   and name HE21))
   (( segid "    " and resid 64   and name HA  ))
 OR {  376}
   (( segid "    " and resid 12   and name HE21))
   (( segid "    " and resid 72   and name HA  ))
 OR {  376}
   (( segid "    " and resid 12   and name HE21))
   (( segid "    " and resid 75   and name HA  ))
 OR {  376}
   (( segid "    " and resid 12   and name HE21))
   (( segid "    " and resid 78   and name HA  ))
 OR {  376}
   (( segid "    " and resid 12   and name HE21))
   (( segid "    " and resid 79   and name HA  ))
 OR {  376}
   (( segid "    " and resid 12   and name HE21))
   (( segid "    " and resid 84   and name HA  ))
 OR {  376}
   (( segid "    " and resid 12   and name HE21))
   (( segid "    " and resid 85   and name HA  ))
 OR {  376}
   (( segid "    " and resid 12   and name HE21))
   (( segid "    " and resid 86   and name HA  ))
 ASSI {  378}
   (( segid "    " and resid 12   and name HE22))
   (( segid "    " and resid 13   and name HB2 ))
      5.100     3.200     0.900 peak   378 spectrum    1 weight  0.10000E+01 volume  0.36674E-03 ppm1      7.451 ppm2      1.092 CV     1
 OR {  378}
   (( segid "    " and resid 12   and name HE22))
   (( segid "    " and resid 31   and name HG  ))
 OR {  378}
   (( segid "    " and resid 12   and name HE22))
   (  segid "    " and resid 7    and name HG2%)
 OR {  378}
   (( segid "    " and resid 12   and name HE22))
   (  segid "    " and resid 11   and name HG2%)
 OR {  378}
   (( segid "    " and resid 12   and name HE22))
   (  segid "    " and resid 42   and name HB% )
 OR {  378}
   (( segid "    " and resid 12   and name HE22))
   (( segid "    " and resid 27   and name HG13))
 OR {  378}
   (( segid "    " and resid 12   and name HE22))
   (  segid "    " and resid 75   and name HG2%)
 ASSI {  379}
   (( segid "    " and resid 12   and name HE21))
   (  segid "    " and resid 7    and name HG2%)
      5.000     3.100     1.000 peak   379 spectrum    1 weight  0.10000E+01 volume  0.26973E-03 ppm1      6.816 ppm2      1.091 CV     1
 OR {  379}
   (( segid "    " and resid 12   and name HE21))
   (( segid "    " and resid 13   and name HB2 ))
 OR {  379}
   (( segid "    " and resid 12   and name HE21))
   (  segid "    " and resid 11   and name HG2%)
 OR {  379}
   (( segid "    " and resid 12   and name HE21))
   (( segid "    " and resid 31   and name HG  ))
 OR {  379}
   (( segid "    " and resid 12   and name HE21))
   (  segid "    " and resid 42   and name HB% )
 OR {  379}
   (( segid "    " and resid 12   and name HE21))
   (( segid "    " and resid 27   and name HG13))
 OR {  379}
   (( segid "    " and resid 12   and name HE21))
   (  segid "    " and resid 75   and name HG2%)
 ASSI {  380}
   (( segid "    " and resid 28   and name HE21))
   (( segid "    " and resid 3    and name HB3 ))
      3.100     1.200     1.200 peak   380 spectrum    1 weight  0.10000E+01 volume  0.19165E-03 ppm1      7.420 ppm2      1.491 CV     1
 OR {  380}
   (( segid "    " and resid 28   and name HE21))
   (( segid "    " and resid 3    and name HB2 ))
 OR {  380}
   (( segid "    " and resid 28   and name HE21))
   (( segid "    " and resid 16   and name HD3 ))
 OR {  380}
   (( segid "    " and resid 28   and name HE21))
   (( segid "    " and resid 18   and name HB2 ))
 OR {  380}
   (( segid "    " and resid 28   and name HE21))
   (( segid "    " and resid 27   and name HG12))
 OR {  380}
   (( segid "    " and resid 28   and name HE21))
   (( segid "    " and resid 2    and name HB2 ))
 OR {  380}
   (( segid "    " and resid 28   and name HE21))
   (( segid "    " and resid 15   and name HB2 ))
 OR {  380}
   (( segid "    " and resid 28   and name HE21))
   (( segid "    " and resid 2    and name HB3 ))
 OR {  380}
   (( segid "    " and resid 28   and name HE21))
   (( segid "    " and resid 23   and name HB2 ))
 OR {  380}
   (( segid "    " and resid 28   and name HE21))
   (( segid "    " and resid 2    and name HG  ))
 OR {  380}
   (( segid "    " and resid 28   and name HE21))
   (( segid "    " and resid 15   and name HG2 ))
 OR {  380}
   (( segid "    " and resid 28   and name HE21))
   (( segid "    " and resid 21   and name HG2 ))
 OR {  380}
   (( segid "    " and resid 28   and name HE21))
   (( segid "    " and resid 52   and name HB  ))
 OR {  380}
   (( segid "    " and resid 28   and name HE21))
   (( segid "    " and resid 47   and name HG  ))
 OR {  380}
   (( segid "    " and resid 28   and name HE21))
   (( segid "    " and resid 50   and name HG2 ))
 OR {  380}
   (( segid "    " and resid 28   and name HE21))
   (( segid "    " and resid 61   and name HB3 ))
 OR {  380}
   (( segid "    " and resid 28   and name HE21))
   (( segid "    " and resid 70   and name HG3 ))
 OR {  380}
   (( segid "    " and resid 28   and name HE21))
   (( segid "    " and resid 72   and name HB3 ))
 OR {  380}
   (( segid "    " and resid 28   and name HE21))
   (( segid "    " and resid 72   and name HG  ))
 OR {  380}
   (( segid "    " and resid 28   and name HE21))
   (( segid "    " and resid 76   and name HB2 ))
 OR {  380}
   (( segid "    " and resid 28   and name HE21))
   (( segid "    " and resid 76   and name HB3 ))
 OR {  380}
   (( segid "    " and resid 28   and name HE21))
   (( segid "    " and resid 79   and name HG  ))
 OR {  380}
   (( segid "    " and resid 28   and name HE21))
   (( segid "    " and resid 79   and name HB2 ))
 OR {  380}
   (( segid "    " and resid 28   and name HE21))
   (( segid "    " and resid 84   and name HB2 ))
 OR {  380}
   (( segid "    " and resid 28   and name HE21))
   (( segid "    " and resid 84   and name HG  ))
 OR {  380}
   (( segid "    " and resid 28   and name HE21))
   (( segid "    " and resid 85   and name HG2 ))
 OR {  380}
   (( segid "    " and resid 28   and name HE21))
   (( segid "    " and resid 85   and name HG3 ))
 ASSI {  381}
   (( segid "    " and resid 28   and name HE22))
   (( segid "    " and resid 3    and name HB3 ))
      3.100     1.200     1.200 peak   381 spectrum    1 weight  0.10000E+01 volume  0.20348E-03 ppm1      6.664 ppm2      1.469 CV     1
 OR {  381}
   (( segid "    " and resid 28   and name HE22))
   (( segid "    " and resid 3    and name HB2 ))
 OR {  381}
   (( segid "    " and resid 28   and name HE22))
   (( segid "    " and resid 16   and name HD3 ))
 OR {  381}
   (( segid "    " and resid 28   and name HE22))
   (( segid "    " and resid 18   and name HB2 ))
 OR {  381}
   (( segid "    " and resid 28   and name HE22))
   (( segid "    " and resid 27   and name HG12))
 OR {  381}
   (( segid "    " and resid 28   and name HE22))
   (( segid "    " and resid 2    and name HB2 ))
 OR {  381}
   (( segid "    " and resid 28   and name HE22))
   (( segid "    " and resid 23   and name HB2 ))
 OR {  381}
   (( segid "    " and resid 28   and name HE22))
   (( segid "    " and resid 2    and name HB3 ))
 OR {  381}
   (( segid "    " and resid 28   and name HE22))
   (( segid "    " and resid 15   and name HB2 ))
 OR {  381}
   (( segid "    " and resid 28   and name HE22))
   (( segid "    " and resid 2    and name HG  ))
 OR {  381}
   (( segid "    " and resid 28   and name HE22))
   (( segid "    " and resid 15   and name HG2 ))
 OR {  381}
   (( segid "    " and resid 28   and name HE22))
   (( segid "    " and resid 22   and name HG  ))
 OR {  381}
   (( segid "    " and resid 28   and name HE22))
   (( segid "    " and resid 21   and name HG2 ))
 OR {  381}
   (( segid "    " and resid 28   and name HE22))
   (( segid "    " and resid 40   and name HB2 ))
 OR {  381}
   (( segid "    " and resid 28   and name HE22))
   (( segid "    " and resid 52   and name HB  ))
 OR {  381}
   (( segid "    " and resid 28   and name HE22))
   (  segid "    " and resid 48   and name HB% )
 OR {  381}
   (( segid "    " and resid 28   and name HE22))
   (( segid "    " and resid 47   and name HG  ))
 OR {  381}
   (( segid "    " and resid 28   and name HE22))
   (( segid "    " and resid 50   and name HG2 ))
 OR {  381}
   (( segid "    " and resid 28   and name HE22))
   (( segid "    " and resid 61   and name HB3 ))
 OR {  381}
   (( segid "    " and resid 28   and name HE22))
   (( segid "    " and resid 70   and name HG3 ))
 OR {  381}
   (( segid "    " and resid 28   and name HE22))
   (( segid "    " and resid 72   and name HB3 ))
 OR {  381}
   (( segid "    " and resid 28   and name HE22))
   (( segid "    " and resid 72   and name HG  ))
 OR {  381}
   (( segid "    " and resid 28   and name HE22))
   (( segid "    " and resid 76   and name HB3 ))
 OR {  381}
   (( segid "    " and resid 28   and name HE22))
   (( segid "    " and resid 79   and name HG  ))
 OR {  381}
   (( segid "    " and resid 28   and name HE22))
   (( segid "    " and resid 79   and name HB2 ))
 OR {  381}
   (( segid "    " and resid 28   and name HE22))
   (( segid "    " and resid 84   and name HB2 ))
 OR {  381}
   (( segid "    " and resid 28   and name HE22))
   (( segid "    " and resid 84   and name HG  ))
 OR {  381}
   (( segid "    " and resid 28   and name HE22))
   (( segid "    " and resid 85   and name HG2 ))
 OR {  381}
   (( segid "    " and resid 28   and name HE22))
   (( segid "    " and resid 85   and name HG3 ))
 ASSI {  382}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 14   and name HB2 ))
      3.000     1.100     1.100 peak   382 spectrum    1 weight  0.10000E+01 volume  0.23187E-03 ppm1      7.887 ppm2      3.155 CV     1
 OR {  382}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 14   and name HB3 ))
 OR {  382}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 38   and name HB3 ))
 OR {  382}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 39   and name HB2 ))
 OR {  382}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 24   and name HD2 ))
 OR {  382}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 1    and name HB3 ))
 OR {  382}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 46   and name HB2 ))
 OR {  382}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 64   and name HB2 ))
 OR {  382}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 65   and name HB2 ))
 OR {  382}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 67   and name HB3 ))
 OR {  382}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 67   and name HB2 ))
 OR {  382}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 73   and name HB2 ))
 OR {  382}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 73   and name HB3 ))
 OR {  382}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 81   and name HB2 ))
 OR {  382}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 85   and name HD3 ))
 OR {  382}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 85   and name HD2 ))
 ASSI {  383}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 35   and name HB3 ))
      5.400     3.600     0.600 peak   383 spectrum    1 weight  0.10000E+01 volume  0.24134E-03 ppm1      7.901 ppm2      2.726 CV     1
 OR {  383}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 10   and name HB2 ))
 OR {  383}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 53   and name HB2 ))
 OR {  383}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 55   and name HB3 ))
 OR {  383}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 80   and name HB3 ))
 ASSI {  384}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 35   and name HB2 ))
      5.100     3.300     0.900 peak   384 spectrum    1 weight  0.10000E+01 volume  0.17272E-03 ppm1      7.887 ppm2      2.564 CV     1
 OR {  384}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 37   and name HB2 ))
 OR {  384}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 9    and name HB2 ))
 OR {  384}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 43   and name HB2 ))
 OR {  384}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 10   and name HB3 ))
 OR {  384}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 43   and name HB3 ))
 OR {  384}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 20   and name HB2 ))
 OR {  384}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 20   and name HB3 ))
 OR {  384}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 80   and name HB2 ))
 OR {  384}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 83   and name HG2 ))
 OR {  384}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 87   and name HG2 ))
 ASSI {  385}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 16   and name HE3 ))
      2.800     1.000     1.000 peak   385 spectrum    1 weight  0.10000E+01 volume  0.35728E-03 ppm1      7.895 ppm2      2.894 CV     1
 OR {  385}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 16   and name HE2 ))
 OR {  385}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 15   and name HD3 ))
 OR {  385}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 38   and name HB2 ))
 OR {  385}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 9    and name HB3 ))
 OR {  385}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 25   and name HE2 ))
 OR {  385}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 25   and name HE3 ))
 OR {  385}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 21   and name HE3 ))
 OR {  385}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 21   and name HE2 ))
 OR {  385}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 55   and name HB2 ))
 OR {  385}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 71   and name HE3 ))
 OR {  385}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 71   and name HE2 ))
 OR {  385}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 78   and name HE3 ))
 OR {  385}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 78   and name HE2 ))
 OR {  385}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 81   and name HB3 ))
 OR {  385}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 86   and name HE2 ))
 OR {  385}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 86   and name HE3 ))
 ASSI {  386}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 16   and name HE3 ))
      2.900     1.000     1.000 peak   386 spectrum    1 weight  0.10000E+01 volume  0.29339E-03 ppm1      7.072 ppm2      2.896 CV     1
 OR {  386}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 16   and name HE2 ))
 OR {  386}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 15   and name HD3 ))
 OR {  386}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 38   and name HB2 ))
 OR {  386}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 9    and name HB3 ))
 OR {  386}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 25   and name HE2 ))
 OR {  386}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 25   and name HE3 ))
 OR {  386}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 21   and name HE3 ))
 OR {  386}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 21   and name HE2 ))
 OR {  386}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 55   and name HB2 ))
 OR {  386}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 71   and name HE3 ))
 OR {  386}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 71   and name HE2 ))
 OR {  386}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 78   and name HE3 ))
 OR {  386}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 78   and name HE2 ))
 OR {  386}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 81   and name HB3 ))
 OR {  386}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 86   and name HE2 ))
 OR {  386}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 86   and name HE3 ))
 ASSI {  387}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 35   and name HB3 ))
      5.800     4.200     0.200 peak   387 spectrum    1 weight  0.10000E+01 volume  0.24844E-03 ppm1      7.079 ppm2      2.730 CV     1
 OR {  387}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 10   and name HB2 ))
 OR {  387}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 55   and name HB3 ))
 OR {  387}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 80   and name HB3 ))
 ASSI {  388}
   (( segid "    " and resid 32   and name HE21))
   (  segid "    " and resid 29   and name HG1%)
      2.800     1.000     1.000 peak   388 spectrum    1 weight  0.10000E+01 volume  0.32888E-03 ppm1      7.900 ppm2      0.758 CV     1
 OR {  388}
   (( segid "    " and resid 32   and name HE21))
   (  segid "    " and resid 27   and name HD1%)
 OR {  388}
   (( segid "    " and resid 32   and name HE21))
   (  segid "    " and resid 40   and name HD2%)
 OR {  388}
   (( segid "    " and resid 32   and name HE21))
   (  segid "    " and resid 18   and name HD2%)
 OR {  388}
   (( segid "    " and resid 32   and name HE21))
   (  segid "    " and resid 18   and name HD1%)
 OR {  388}
   (( segid "    " and resid 32   and name HE21))
   (  segid "    " and resid 40   and name HD1%)
 OR {  388}
   (( segid "    " and resid 32   and name HE21))
   (  segid "    " and resid 2    and name HD1%)
 OR {  388}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 52   and name HG13))
 OR {  388}
   (( segid "    " and resid 32   and name HE21))
   (  segid "    " and resid 2    and name HD2%)
 OR {  388}
   (( segid "    " and resid 32   and name HE21))
   (  segid "    " and resid 44   and name HG2%)
 OR {  388}
   (( segid "    " and resid 32   and name HE21))
   (  segid "    " and resid 22   and name HD1%)
 OR {  388}
   (( segid "    " and resid 32   and name HE21))
   (  segid "    " and resid 54   and name HD1%)
 OR {  388}
   (( segid "    " and resid 32   and name HE21))
   (  segid "    " and resid 47   and name HD1%)
 OR {  388}
   (( segid "    " and resid 32   and name HE21))
   (  segid "    " and resid 47   and name HD2%)
 OR {  388}
   (( segid "    " and resid 32   and name HE21))
   (  segid "    " and resid 72   and name HD2%)
 OR {  388}
   (( segid "    " and resid 32   and name HE21))
   (  segid "    " and resid 72   and name HD1%)
 OR {  388}
   (( segid "    " and resid 32   and name HE21))
   (  segid "    " and resid 76   and name HD2%)
 OR {  388}
   (( segid "    " and resid 32   and name HE21))
   (  segid "    " and resid 76   and name HD1%)
 OR {  388}
   (( segid "    " and resid 32   and name HE21))
   (  segid "    " and resid 79   and name HD2%)
 OR {  388}
   (( segid "    " and resid 32   and name HE21))
   (  segid "    " and resid 84   and name HD2%)
 OR {  388}
   (( segid "    " and resid 32   and name HE21))
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  389}
   (( segid "    " and resid 32   and name HE22))
   (  segid "    " and resid 29   and name HG1%)
      2.800     1.000     1.000 peak   389 spectrum    1 weight  0.10000E+01 volume  0.35017E-03 ppm1      7.076 ppm2      0.762 CV     1
 OR {  389}
   (( segid "    " and resid 32   and name HE22))
   (  segid "    " and resid 27   and name HD1%)
 OR {  389}
   (( segid "    " and resid 32   and name HE22))
   (  segid "    " and resid 18   and name HD2%)
 OR {  389}
   (( segid "    " and resid 32   and name HE22))
   (  segid "    " and resid 40   and name HD2%)
 OR {  389}
   (( segid "    " and resid 32   and name HE22))
   (  segid "    " and resid 18   and name HD1%)
 OR {  389}
   (( segid "    " and resid 32   and name HE22))
   (  segid "    " and resid 2    and name HD1%)
 OR {  389}
   (( segid "    " and resid 32   and name HE22))
   (  segid "    " and resid 40   and name HD1%)
 OR {  389}
   (( segid "    " and resid 32   and name HE22))
   (  segid "    " and resid 2    and name HD2%)
 OR {  389}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 52   and name HG13))
 OR {  389}
   (( segid "    " and resid 32   and name HE22))
   (  segid "    " and resid 22   and name HD1%)
 OR {  389}
   (( segid "    " and resid 32   and name HE22))
   (  segid "    " and resid 44   and name HG2%)
 OR {  389}
   (( segid "    " and resid 32   and name HE22))
   (  segid "    " and resid 54   and name HD1%)
 OR {  389}
   (( segid "    " and resid 32   and name HE22))
   (  segid "    " and resid 47   and name HD1%)
 OR {  389}
   (( segid "    " and resid 32   and name HE22))
   (  segid "    " and resid 47   and name HD2%)
 OR {  389}
   (( segid "    " and resid 32   and name HE22))
   (  segid "    " and resid 72   and name HD2%)
 OR {  389}
   (( segid "    " and resid 32   and name HE22))
   (  segid "    " and resid 72   and name HD1%)
 OR {  389}
   (( segid "    " and resid 32   and name HE22))
   (  segid "    " and resid 76   and name HD2%)
 OR {  389}
   (( segid "    " and resid 32   and name HE22))
   (  segid "    " and resid 76   and name HD1%)
 OR {  389}
   (( segid "    " and resid 32   and name HE22))
   (  segid "    " and resid 79   and name HD2%)
 OR {  389}
   (( segid "    " and resid 32   and name HE22))
   (  segid "    " and resid 84   and name HD2%)
 OR {  389}
   (( segid "    " and resid 32   and name HE22))
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  390}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 31   and name HG  ))
      3.700     1.700     1.700 peak   390 spectrum    1 weight  0.10000E+01 volume  0.40224E-03 ppm1      7.896 ppm2      1.198 CV     1
 OR {  390}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 31   and name HB3 ))
 OR {  390}
   (( segid "    " and resid 32   and name HE21))
   (  segid "    " and resid 34   and name HB% )
 OR {  390}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 16   and name HG3 ))
 OR {  390}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 16   and name HG2 ))
 OR {  390}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 16   and name HB3 ))
 OR {  390}
   (( segid "    " and resid 32   and name HE21))
   (  segid "    " and resid 7    and name HG2%)
 OR {  390}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 40   and name HB3 ))
 OR {  390}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 52   and name HG12))
 OR {  390}
   (( segid "    " and resid 32   and name HE21))
   (  segid "    " and resid 54   and name HG2%)
 OR {  390}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 50   and name HG3 ))
 OR {  390}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 54   and name HG12))
 OR {  390}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 54   and name HG13))
 OR {  390}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 61   and name HG  ))
 OR {  390}
   (( segid "    " and resid 32   and name HE21))
   (  segid "    " and resid 75   and name HG2%)
 OR {  390}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 79   and name HB3 ))
 ASSI {  391}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 31   and name HG  ))
      5.100     3.200     0.900 peak   391 spectrum    1 weight  0.10000E+01 volume  0.35017E-03 ppm1      7.081 ppm2      1.200 CV     1
 OR {  391}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 31   and name HB3 ))
 OR {  391}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 16   and name HG3 ))
 OR {  391}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 16   and name HG2 ))
 OR {  391}
   (( segid "    " and resid 32   and name HE22))
   (  segid "    " and resid 34   and name HB% )
 OR {  391}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 16   and name HB3 ))
 OR {  391}
   (( segid "    " and resid 32   and name HE22))
   (  segid "    " and resid 7    and name HG2%)
 OR {  391}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 18   and name HB3 ))
 OR {  391}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 40   and name HB3 ))
 OR {  391}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 52   and name HG12))
 OR {  391}
   (( segid "    " and resid 32   and name HE22))
   (  segid "    " and resid 54   and name HG2%)
 OR {  391}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 50   and name HG3 ))
 OR {  391}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 54   and name HG12))
 OR {  391}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 54   and name HG13))
 OR {  391}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 61   and name HG  ))
 OR {  391}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 79   and name HB3 ))
 ASSI {  392}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 15   and name HG3 ))
      3.000     1.200     1.200 peak   392 spectrum    1 weight  0.10000E+01 volume  0.21769E-03 ppm1      7.895 ppm2      1.410 CV     1
 OR {  392}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 15   and name HG2 ))
 OR {  392}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 15   and name HB2 ))
 OR {  392}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 27   and name HG12))
 OR {  392}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 25   and name HG2 ))
 OR {  392}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 40   and name HB2 ))
 OR {  392}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 2    and name HB3 ))
 OR {  392}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 2    and name HB2 ))
 OR {  392}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 2    and name HG  ))
 OR {  392}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 23   and name HB2 ))
 OR {  392}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 23   and name HG  ))
 OR {  392}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 22   and name HG  ))
 OR {  392}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 50   and name HG2 ))
 OR {  392}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 21   and name HG2 ))
 OR {  392}
   (( segid "    " and resid 32   and name HE21))
   (  segid "    " and resid 48   and name HB% )
 OR {  392}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 56   and name HG2 ))
 OR {  392}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 61   and name HB2 ))
 OR {  392}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 72   and name HB2 ))
 OR {  392}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 72   and name HG  ))
 OR {  392}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 76   and name HB3 ))
 OR {  392}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 78   and name HG3 ))
 OR {  392}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 79   and name HG  ))
 OR {  392}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 79   and name HB2 ))
 OR {  392}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 86   and name HG2 ))
 OR {  392}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 86   and name HG3 ))
 ASSI {  393}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 15   and name HG3 ))
      3.100     1.200     1.200 peak   393 spectrum    1 weight  0.10000E+01 volume  0.19402E-03 ppm1      7.081 ppm2      1.409 CV     1
 OR {  393}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 15   and name HG2 ))
 OR {  393}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 15   and name HB2 ))
 OR {  393}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 27   and name HG12))
 OR {  393}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 25   and name HG2 ))
 OR {  393}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 2    and name HB3 ))
 OR {  393}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 2    and name HB2 ))
 OR {  393}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 2    and name HG  ))
 OR {  393}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 40   and name HB2 ))
 OR {  393}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 23   and name HB2 ))
 OR {  393}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 23   and name HG  ))
 OR {  393}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 22   and name HG  ))
 OR {  393}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 21   and name HG2 ))
 OR {  393}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 50   and name HG2 ))
 OR {  393}
   (( segid "    " and resid 32   and name HE22))
   (  segid "    " and resid 48   and name HB% )
 OR {  393}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 56   and name HG2 ))
 OR {  393}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 61   and name HB2 ))
 OR {  393}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 72   and name HB2 ))
 OR {  393}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 72   and name HG  ))
 OR {  393}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 76   and name HB3 ))
 OR {  393}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 78   and name HG3 ))
 OR {  393}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 79   and name HG  ))
 OR {  393}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 79   and name HB2 ))
 OR {  393}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 86   and name HG2 ))
 OR {  393}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 86   and name HG3 ))
 ASSI {  394}
   (( segid "    " and resid 49   and name HE21))
   (( segid "    " and resid 49   and name H   ))
      4.800     2.900     1.200 peak   394 spectrum    1 weight  0.10000E+01 volume  0.61282E-03 ppm1      7.517 ppm2      8.412 CV     1
 OR {  394}
   (( segid "    " and resid 49   and name HE21))
   (( segid "    " and resid 55   and name H   ))
 OR {  394}
   (( segid "    " and resid 49   and name HE21))
   (( segid "    " and resid 43   and name H   ))
 OR {  394}
   (( segid "    " and resid 49   and name HE21))
   (( segid "    " and resid 41   and name H   ))
 OR {  394}
   (( segid "    " and resid 49   and name HE21))
   (( segid "    " and resid 38   and name H   ))
 OR {  394}
   (( segid "    " and resid 49   and name HE21))
   (( segid "    " and resid 33   and name H   ))
 OR {  394}
   (( segid "    " and resid 49   and name HE21))
   (( segid "    " and resid 6    and name H   ))
 OR {  394}
   (( segid "    " and resid 49   and name HE21))
   (( segid "    " and resid 18   and name H   ))
 OR {  394}
   (( segid "    " and resid 49   and name HE21))
   (( segid "    " and resid 2    and name H   ))
 OR {  394}
   (( segid "    " and resid 49   and name HE21))
   (( segid "    " and resid 82   and name H   ))
 OR {  394}
   (( segid "    " and resid 49   and name HE21))
   (( segid "    " and resid 87   and name H   ))
 ASSI {  395}
   (( segid "    " and resid 49   and name HE22))
   (( segid "    " and resid 49   and name H   ))
      5.800     4.300     0.200 peak   395 spectrum    1 weight  0.10000E+01 volume  0.26499E-03 ppm1      6.794 ppm2      8.418 CV     1
 OR {  395}
   (( segid "    " and resid 49   and name HE22))
   (( segid "    " and resid 55   and name H   ))
 OR {  395}
   (( segid "    " and resid 49   and name HE22))
   (( segid "    " and resid 43   and name H   ))
 OR {  395}
   (( segid "    " and resid 49   and name HE22))
   (( segid "    " and resid 41   and name H   ))
 OR {  395}
   (( segid "    " and resid 49   and name HE22))
   (( segid "    " and resid 38   and name H   ))
 OR {  395}
   (( segid "    " and resid 49   and name HE22))
   (( segid "    " and resid 33   and name H   ))
 OR {  395}
   (( segid "    " and resid 49   and name HE22))
   (( segid "    " and resid 6    and name H   ))
 OR {  395}
   (( segid "    " and resid 49   and name HE22))
   (( segid "    " and resid 18   and name H   ))
 OR {  395}
   (( segid "    " and resid 49   and name HE22))
   (( segid "    " and resid 2    and name H   ))
 OR {  395}
   (( segid "    " and resid 49   and name HE22))
   (( segid "    " and resid 82   and name H   ))
 OR {  395}
   (( segid "    " and resid 49   and name HE22))
   (( segid "    " and resid 87   and name H   ))
 ASSI {  396}
   (( segid "    " and resid 49   and name HE21))
   (( segid "    " and resid 48   and name HA  ))
      5.500     3.800     0.500 peak   396 spectrum    1 weight  0.10000E+01 volume  0.30759E-03 ppm1      7.520 ppm2      3.991 CV     1
 OR {  396}
   (( segid "    " and resid 49   and name HE21))
   (( segid "    " and resid 59   and name HD3 ))
 OR {  396}
   (( segid "    " and resid 49   and name HE21))
   (( segid "    " and resid 36   and name HA3 ))
 OR {  396}
   (( segid "    " and resid 49   and name HE21))
   (( segid "    " and resid 61   and name HA  ))
 OR {  396}
   (( segid "    " and resid 49   and name HE21))
   (( segid "    " and resid 62   and name HB2 ))
 OR {  396}
   (( segid "    " and resid 49   and name HE21))
   (( segid "    " and resid 62   and name HB3 ))
 OR {  396}
   (( segid "    " and resid 49   and name HE21))
   (( segid "    " and resid 66   and name HA  ))
 OR {  396}
   (( segid "    " and resid 49   and name HE21))
   (( segid "    " and resid 22   and name HA  ))
 OR {  396}
   (( segid "    " and resid 49   and name HE21))
   (( segid "    " and resid 68   and name HA  ))
 OR {  396}
   (( segid "    " and resid 49   and name HE21))
   (( segid "    " and resid 69   and name HA  ))
 OR {  396}
   (( segid "    " and resid 49   and name HE21))
   (( segid "    " and resid 74   and name HA3 ))
 OR {  396}
   (( segid "    " and resid 49   and name HE21))
   (( segid "    " and resid 74   and name HA2 ))
 ASSI {  397}
   (( segid "    " and resid 49   and name HE21))
   (  segid "    " and resid 47   and name HD2%)
      4.500     2.500     1.500 peak   397 spectrum    1 weight  0.10000E+01 volume  0.39750E-03 ppm1      7.520 ppm2      0.721 CV     1
 OR {  397}
   (( segid "    " and resid 49   and name HE21))
   (  segid "    " and resid 54   and name HD1%)
 OR {  397}
   (( segid "    " and resid 49   and name HE21))
   (  segid "    " and resid 47   and name HD1%)
 OR {  397}
   (( segid "    " and resid 49   and name HE21))
   (  segid "    " and resid 44   and name HG2%)
 OR {  397}
   (( segid "    " and resid 49   and name HE21))
   (  segid "    " and resid 40   and name HD2%)
 OR {  397}
   (( segid "    " and resid 49   and name HE21))
   (  segid "    " and resid 40   and name HD1%)
 OR {  397}
   (( segid "    " and resid 49   and name HE21))
   (  segid "    " and resid 29   and name HG1%)
 OR {  397}
   (( segid "    " and resid 49   and name HE21))
   (  segid "    " and resid 27   and name HD1%)
 OR {  397}
   (( segid "    " and resid 49   and name HE21))
   (  segid "    " and resid 26   and name HG2%)
 OR {  397}
   (( segid "    " and resid 49   and name HE21))
   (  segid "    " and resid 2    and name HD1%)
 OR {  397}
   (( segid "    " and resid 49   and name HE21))
   (  segid "    " and resid 18   and name HD2%)
 OR {  397}
   (( segid "    " and resid 49   and name HE21))
   (  segid "    " and resid 18   and name HD1%)
 OR {  397}
   (( segid "    " and resid 49   and name HE21))
   (  segid "    " and resid 22   and name HD1%)
 OR {  397}
   (( segid "    " and resid 49   and name HE21))
   (  segid "    " and resid 22   and name HD2%)
 OR {  397}
   (( segid "    " and resid 49   and name HE21))
   (  segid "    " and resid 72   and name HD2%)
 OR {  397}
   (( segid "    " and resid 49   and name HE21))
   (  segid "    " and resid 72   and name HD1%)
 OR {  397}
   (( segid "    " and resid 49   and name HE21))
   (  segid "    " and resid 79   and name HD1%)
 OR {  397}
   (( segid "    " and resid 49   and name HE21))
   (  segid "    " and resid 79   and name HD2%)
 OR {  397}
   (( segid "    " and resid 49   and name HE21))
   (  segid "    " and resid 84   and name HD2%)
 ASSI {  398}
   (( segid "    " and resid 49   and name HE22))
   (  segid "    " and resid 47   and name HD2%)
      4.200     2.200     1.800 peak   398 spectrum    1 weight  0.10000E+01 volume  0.55839E-03 ppm1      6.800 ppm2      0.728 CV     1
 OR {  398}
   (( segid "    " and resid 49   and name HE22))
   (  segid "    " and resid 54   and name HD1%)
 OR {  398}
   (( segid "    " and resid 49   and name HE22))
   (  segid "    " and resid 44   and name HG2%)
 OR {  398}
   (( segid "    " and resid 49   and name HE22))
   (  segid "    " and resid 47   and name HD1%)
 OR {  398}
   (( segid "    " and resid 49   and name HE22))
   (  segid "    " and resid 40   and name HD2%)
 OR {  398}
   (( segid "    " and resid 49   and name HE22))
   (  segid "    " and resid 40   and name HD1%)
 OR {  398}
   (( segid "    " and resid 49   and name HE22))
   (  segid "    " and resid 29   and name HG1%)
 OR {  398}
   (( segid "    " and resid 49   and name HE22))
   (  segid "    " and resid 27   and name HD1%)
 OR {  398}
   (( segid "    " and resid 49   and name HE22))
   (  segid "    " and resid 26   and name HG2%)
 OR {  398}
   (( segid "    " and resid 49   and name HE22))
   (  segid "    " and resid 2    and name HD1%)
 OR {  398}
   (( segid "    " and resid 49   and name HE22))
   (  segid "    " and resid 18   and name HD2%)
 OR {  398}
   (( segid "    " and resid 49   and name HE22))
   (  segid "    " and resid 18   and name HD1%)
 OR {  398}
   (( segid "    " and resid 49   and name HE22))
   (  segid "    " and resid 22   and name HD1%)
 OR {  398}
   (( segid "    " and resid 49   and name HE22))
   (  segid "    " and resid 72   and name HD2%)
 OR {  398}
   (( segid "    " and resid 49   and name HE22))
   (  segid "    " and resid 72   and name HD1%)
 OR {  398}
   (( segid "    " and resid 49   and name HE22))
   (  segid "    " and resid 76   and name HD2%)
 OR {  398}
   (( segid "    " and resid 49   and name HE22))
   (  segid "    " and resid 76   and name HD1%)
 OR {  398}
   (( segid "    " and resid 49   and name HE22))
   (  segid "    " and resid 79   and name HD1%)
 OR {  398}
   (( segid "    " and resid 49   and name HE22))
   (  segid "    " and resid 79   and name HD2%)
 OR {  398}
   (( segid "    " and resid 49   and name HE22))
   (  segid "    " and resid 84   and name HD2%)
 ASSI {  399}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 56   and name HA  ))
      3.800     1.800     1.800 peak   399 spectrum    1 weight  0.10000E+01 volume  0.26027E-03 ppm1      7.543 ppm2      4.342 CV     1
 OR {  399}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 83   and name HA  ))
 OR {  399}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 55   and name HA  ))
 OR {  399}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 60   and name HA  ))
 OR {  399}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 77   and name HA  ))
 OR {  399}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 75   and name HA  ))
 OR {  399}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 64   and name HA  ))
 OR {  399}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 11   and name HA  ))
 OR {  399}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 42   and name HA  ))
 OR {  399}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 8    and name HA  ))
 OR {  399}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 13   and name HA  ))
 OR {  399}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 33   and name HA  ))
 OR {  399}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 6    and name HA  ))
 OR {  399}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 5    and name HA  ))
 OR {  399}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 15   and name HA  ))
 OR {  399}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 16   and name HA  ))
 OR {  399}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 2    and name HA  ))
 OR {  399}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 19   and name HA  ))
 OR {  399}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 25   and name HA  ))
 OR {  399}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 64   and name HA  ))
 OR {  399}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 75   and name HA  ))
 OR {  399}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 77   and name HA  ))
 OR {  399}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 60   and name HA  ))
 OR {  399}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 56   and name HA  ))
 OR {  399}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 55   and name HA  ))
 OR {  399}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 83   and name HA  ))
 OR {  399}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 42   and name HA  ))
 OR {  399}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 11   and name HA  ))
 OR {  399}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 8    and name HA  ))
 OR {  399}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 13   and name HA  ))
 OR {  399}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 33   and name HA  ))
 OR {  399}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 6    and name HA  ))
 OR {  399}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 5    and name HA  ))
 OR {  399}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 15   and name HA  ))
 OR {  399}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 16   and name HA  ))
 OR {  399}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 2    and name HA  ))
 OR {  399}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 25   and name HA  ))
 OR {  399}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 19   and name HA  ))
 ASSI {  400}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 56   and name HB3 ))
      2.500     0.800     0.800 peak   400 spectrum    1 weight  0.10000E+01 volume  0.76898E-03 ppm1      7.549 ppm2      1.837 CV     1
 OR {  400}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 50   and name HB2 ))
 OR {  400}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 47   and name HB3 ))
 OR {  400}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 50   and name HB3 ))
 OR {  400}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 41   and name HG3 ))
 OR {  400}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 41   and name HB2 ))
 OR {  400}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 41   and name HB3 ))
 OR {  400}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 32   and name HB2 ))
 OR {  400}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 68   and name HG2 ))
 OR {  400}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 68   and name HB2 ))
 OR {  400}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 15   and name HB3 ))
 OR {  400}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 32   and name HB3 ))
 OR {  400}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 5    and name HB3 ))
 OR {  400}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 29   and name HB  ))
 OR {  400}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 16   and name HB2 ))
 OR {  400}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 4    and name HB2 ))
 OR {  400}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 28   and name HB3 ))
 OR {  400}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 27   and name HB  ))
 OR {  400}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 17   and name HG2 ))
 OR {  400}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 24   and name HB3 ))
 OR {  400}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 24   and name HB2 ))
 OR {  400}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 24   and name HG2 ))
 OR {  400}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 77   and name HG2 ))
 OR {  400}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 77   and name HG3 ))
 OR {  400}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 86   and name HB3 ))
 ASSI {  402}
   (( segid "    " and resid 80   and name HD21))
   (  segid "    " and resid 79   and name HD2%)
      5.100     3.200     0.900 peak   402 spectrum    1 weight  0.10000E+01 volume  0.37857E-03 ppm1      7.534 ppm2      0.771 CV     1
 OR {  402}
   (( segid "    " and resid 80   and name HD21))
   (  segid "    " and resid 76   and name HD1%)
 OR {  402}
   (( segid "    " and resid 80   and name HD21))
   (  segid "    " and resid 76   and name HD2%)
 OR {  402}
   (( segid "    " and resid 80   and name HD21))
   (  segid "    " and resid 84   and name HD2%)
 OR {  402}
   (( segid "    " and resid 80   and name HD21))
   (  segid "    " and resid 84   and name HD1%)
 OR {  402}
   (( segid "    " and resid 80   and name HD21))
   (  segid "    " and resid 72   and name HD1%)
 OR {  402}
   (( segid "    " and resid 80   and name HD21))
   (  segid "    " and resid 72   and name HD2%)
 OR {  402}
   (( segid "    " and resid 80   and name HD21))
   (  segid "    " and resid 47   and name HD2%)
 OR {  402}
   (( segid "    " and resid 80   and name HD21))
   (  segid "    " and resid 47   and name HD1%)
 OR {  402}
   (( segid "    " and resid 80   and name HD21))
   (  segid "    " and resid 54   and name HD1%)
 OR {  402}
   (( segid "    " and resid 80   and name HD21))
   (  segid "    " and resid 44   and name HG2%)
 OR {  402}
   (( segid "    " and resid 80   and name HD21))
   (  segid "    " and resid 40   and name HD2%)
 OR {  402}
   (( segid "    " and resid 80   and name HD21))
   (  segid "    " and resid 40   and name HD1%)
 OR {  402}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 52   and name HG13))
 OR {  402}
   (( segid "    " and resid 80   and name HD21))
   (  segid "    " and resid 29   and name HG1%)
 OR {  402}
   (( segid "    " and resid 80   and name HD21))
   (  segid "    " and resid 27   and name HD1%)
 OR {  402}
   (( segid "    " and resid 80   and name HD21))
   (  segid "    " and resid 2    and name HD1%)
 OR {  402}
   (( segid "    " and resid 80   and name HD21))
   (  segid "    " and resid 2    and name HD2%)
 OR {  402}
   (( segid "    " and resid 80   and name HD21))
   (  segid "    " and resid 18   and name HD2%)
 OR {  402}
   (( segid "    " and resid 80   and name HD21))
   (  segid "    " and resid 22   and name HD1%)
 OR {  402}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 23   and name HB3 ))
 ASSI {  403}
   (( segid "    " and resid 58   and name HD21))
   (( segid "    " and resid 60   and name HA  ))
      3.800     1.800     1.800 peak   403 spectrum    1 weight  0.10000E+01 volume  0.68616E-03 ppm1      7.371 ppm2      4.334 CV     1
 OR {  403}
   (( segid "    " and resid 58   and name HD21))
   (( segid "    " and resid 56   and name HA  ))
 OR {  403}
   (( segid "    " and resid 58   and name HD21))
   (( segid "    " and resid 55   and name HA  ))
 OR {  403}
   (( segid "    " and resid 58   and name HD21))
   (( segid "    " and resid 64   and name HA  ))
 OR {  403}
   (( segid "    " and resid 58   and name HD21))
   (( segid "    " and resid 42   and name HA  ))
 OR {  403}
   (( segid "    " and resid 58   and name HD21))
   (( segid "    " and resid 11   and name HA  ))
 OR {  403}
   (( segid "    " and resid 58   and name HD21))
   (( segid "    " and resid 8    and name HA  ))
 OR {  403}
   (( segid "    " and resid 58   and name HD21))
   (( segid "    " and resid 13   and name HA  ))
 OR {  403}
   (( segid "    " and resid 58   and name HD21))
   (( segid "    " and resid 33   and name HA  ))
 OR {  403}
   (( segid "    " and resid 58   and name HD21))
   (( segid "    " and resid 6    and name HA  ))
 OR {  403}
   (( segid "    " and resid 58   and name HD21))
   (( segid "    " and resid 5    and name HA  ))
 OR {  403}
   (( segid "    " and resid 58   and name HD21))
   (( segid "    " and resid 15   and name HA  ))
 OR {  403}
   (( segid "    " and resid 58   and name HD21))
   (( segid "    " and resid 16   and name HA  ))
 OR {  403}
   (( segid "    " and resid 58   and name HD21))
   (( segid "    " and resid 2    and name HA  ))
 OR {  403}
   (( segid "    " and resid 58   and name HD21))
   (( segid "    " and resid 25   and name HA  ))
 OR {  403}
   (( segid "    " and resid 58   and name HD21))
   (( segid "    " and resid 19   and name HA  ))
 OR {  403}
   (( segid "    " and resid 58   and name HD21))
   (( segid "    " and resid 75   and name HA  ))
 OR {  403}
   (( segid "    " and resid 58   and name HD21))
   (( segid "    " and resid 77   and name HA  ))
 OR {  403}
   (( segid "    " and resid 58   and name HD21))
   (( segid "    " and resid 83   and name HA  ))
 ASSI {  404}
   (( segid "    " and resid 58   and name HD22))
   (( segid "    " and resid 60   and name HA  ))
      4.400     2.400     1.600 peak   404 spectrum    1 weight  0.10000E+01 volume  0.34781E-03 ppm1      7.117 ppm2      4.335 CV     1
 OR {  404}
   (( segid "    " and resid 58   and name HD22))
   (( segid "    " and resid 56   and name HA  ))
 OR {  404}
   (( segid "    " and resid 58   and name HD22))
   (( segid "    " and resid 55   and name HA  ))
 OR {  404}
   (( segid "    " and resid 58   and name HD22))
   (( segid "    " and resid 64   and name HA  ))
 OR {  404}
   (( segid "    " and resid 58   and name HD22))
   (( segid "    " and resid 42   and name HA  ))
 OR {  404}
   (( segid "    " and resid 58   and name HD22))
   (( segid "    " and resid 11   and name HA  ))
 OR {  404}
   (( segid "    " and resid 58   and name HD22))
   (( segid "    " and resid 8    and name HA  ))
 OR {  404}
   (( segid "    " and resid 58   and name HD22))
   (( segid "    " and resid 13   and name HA  ))
 OR {  404}
   (( segid "    " and resid 58   and name HD22))
   (( segid "    " and resid 33   and name HA  ))
 OR {  404}
   (( segid "    " and resid 58   and name HD22))
   (( segid "    " and resid 6    and name HA  ))
 OR {  404}
   (( segid "    " and resid 58   and name HD22))
   (( segid "    " and resid 5    and name HA  ))
 OR {  404}
   (( segid "    " and resid 58   and name HD22))
   (( segid "    " and resid 15   and name HA  ))
 OR {  404}
   (( segid "    " and resid 58   and name HD22))
   (( segid "    " and resid 16   and name HA  ))
 OR {  404}
   (( segid "    " and resid 58   and name HD22))
   (( segid "    " and resid 2    and name HA  ))
 OR {  404}
   (( segid "    " and resid 58   and name HD22))
   (( segid "    " and resid 25   and name HA  ))
 OR {  404}
   (( segid "    " and resid 58   and name HD22))
   (( segid "    " and resid 19   and name HA  ))
 OR {  404}
   (( segid "    " and resid 58   and name HD22))
   (( segid "    " and resid 75   and name HA  ))
 OR {  404}
   (( segid "    " and resid 58   and name HD22))
   (( segid "    " and resid 77   and name HA  ))
 OR {  404}
   (( segid "    " and resid 58   and name HD22))
   (( segid "    " and resid 83   and name HA  ))
 ASSI {  405}
   (( segid "    " and resid 58   and name HD21))
   (( segid "    " and resid 56   and name HG3 ))
      2.900     1.100     1.100 peak   405 spectrum    1 weight  0.10000E+01 volume  0.27684E-03 ppm1      7.367 ppm2      1.754 CV     1
 OR {  405}
   (( segid "    " and resid 58   and name HD21))
   (( segid "    " and resid 50   and name HB2 ))
 OR {  405}
   (( segid "    " and resid 58   and name HD21))
   (( segid "    " and resid 47   and name HB2 ))
 OR {  405}
   (( segid "    " and resid 58   and name HD21))
   (( segid "    " and resid 41   and name HB2 ))
 OR {  405}
   (( segid "    " and resid 58   and name HD21))
   (( segid "    " and resid 41   and name HB3 ))
 OR {  405}
   (( segid "    " and resid 58   and name HD21))
   (( segid "    " and resid 68   and name HG3 ))
 OR {  405}
   (( segid "    " and resid 58   and name HD21))
   (( segid "    " and resid 32   and name HB3 ))
 OR {  405}
   (( segid "    " and resid 58   and name HD21))
   (( segid "    " and resid 70   and name HB2 ))
 OR {  405}
   (( segid "    " and resid 58   and name HD21))
   (( segid "    " and resid 29   and name HB  ))
 OR {  405}
   (( segid "    " and resid 58   and name HD21))
   (( segid "    " and resid 70   and name HB3 ))
 OR {  405}
   (( segid "    " and resid 58   and name HD21))
   (( segid "    " and resid 16   and name HB2 ))
 OR {  405}
   (( segid "    " and resid 58   and name HD21))
   (( segid "    " and resid 71   and name HB3 ))
 OR {  405}
   (( segid "    " and resid 58   and name HD21))
   (( segid "    " and resid 27   and name HB  ))
 OR {  405}
   (( segid "    " and resid 58   and name HD21))
   (( segid "    " and resid 17   and name HB3 ))
 OR {  405}
   (( segid "    " and resid 58   and name HD21))
   (( segid "    " and resid 18   and name HG  ))
 OR {  405}
   (( segid "    " and resid 58   and name HD21))
   (( segid "    " and resid 24   and name HB3 ))
 OR {  405}
   (( segid "    " and resid 58   and name HD21))
   (( segid "    " and resid 24   and name HG2 ))
 OR {  405}
   (( segid "    " and resid 58   and name HD21))
   (( segid "    " and resid 24   and name HG3 ))
 OR {  405}
   (( segid "    " and resid 58   and name HD21))
   (( segid "    " and resid 77   and name HB2 ))
 OR {  405}
   (( segid "    " and resid 58   and name HD21))
   (( segid "    " and resid 78   and name HB2 ))
 OR {  405}
   (( segid "    " and resid 58   and name HD21))
   (( segid "    " and resid 85   and name HB3 ))
 OR {  405}
   (( segid "    " and resid 58   and name HD21))
   (( segid "    " and resid 86   and name HB2 ))
 OR {  405}
   (( segid "    " and resid 58   and name HD21))
   (( segid "    " and resid 86   and name HB3 ))
 ASSI {  406}
   (( segid "    " and resid 58   and name HD21))
   (  segid "    " and resid 47   and name HD2%)
      2.700     0.900     0.900 peak   406 spectrum    1 weight  0.10000E+01 volume  0.45665E-03 ppm1      7.369 ppm2      0.700 CV     1
 OR {  406}
   (( segid "    " and resid 58   and name HD21))
   (  segid "    " and resid 47   and name HD1%)
 OR {  406}
   (( segid "    " and resid 58   and name HD21))
   (  segid "    " and resid 52   and name HG2%)
 OR {  406}
   (( segid "    " and resid 58   and name HD21))
   (  segid "    " and resid 40   and name HD2%)
 OR {  406}
   (( segid "    " and resid 58   and name HD21))
   (  segid "    " and resid 31   and name HD1%)
 OR {  406}
   (( segid "    " and resid 58   and name HD21))
   (  segid "    " and resid 29   and name HG1%)
 OR {  406}
   (( segid "    " and resid 58   and name HD21))
   (  segid "    " and resid 27   and name HD1%)
 OR {  406}
   (( segid "    " and resid 58   and name HD21))
   (  segid "    " and resid 26   and name HG2%)
 OR {  406}
   (( segid "    " and resid 58   and name HD21))
   (  segid "    " and resid 72   and name HD1%)
 OR {  406}
   (( segid "    " and resid 58   and name HD21))
   (  segid "    " and resid 18   and name HD2%)
 OR {  406}
   (( segid "    " and resid 58   and name HD21))
   (  segid "    " and resid 18   and name HD1%)
 OR {  406}
   (( segid "    " and resid 58   and name HD21))
   (  segid "    " and resid 22   and name HD1%)
 OR {  406}
   (( segid "    " and resid 58   and name HD21))
   (  segid "    " and resid 22   and name HD2%)
 OR {  406}
   (( segid "    " and resid 58   and name HD21))
   (  segid "    " and resid 79   and name HD1%)
 OR {  406}
   (( segid "    " and resid 58   and name HD21))
   (  segid "    " and resid 79   and name HD2%)
 OR {  406}
   (( segid "    " and resid 58   and name HD21))
   (  segid "    " and resid 84   and name HD2%)
 ASSI {  407}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 60   and name HA  ))
      2.800     1.000     1.000 peak   407 spectrum    1 weight  0.10000E+01 volume  0.38567E-03 ppm1      7.393 ppm2      4.355 CV     1
 OR {  407}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 59   and name HA  ))
 OR {  407}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 56   and name HA  ))
 OR {  407}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 55   and name HA  ))
 OR {  407}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 75   and name HA  ))
 OR {  407}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 77   and name HA  ))
 OR {  407}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 42   and name HA  ))
 OR {  407}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 40   and name HA  ))
 OR {  407}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 11   and name HA  ))
 OR {  407}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 8    and name HA  ))
 OR {  407}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 13   and name HA  ))
 OR {  407}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 33   and name HA  ))
 OR {  407}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 6    and name HA  ))
 OR {  407}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 5    and name HA  ))
 OR {  407}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 15   and name HA  ))
 OR {  407}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 16   and name HA  ))
 OR {  407}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 83   and name HA  ))
 OR {  407}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 2    and name HA  ))
 OR {  407}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 25   and name HA  ))
 OR {  407}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 19   and name HA  ))
 ASSI {  408}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 62   and name HB3 ))
      2.900     1.000     1.000 peak   408 spectrum    1 weight  0.10000E+01 volume  0.30049E-03 ppm1      7.389 ppm2      3.926 CV     1
 OR {  408}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 62   and name HB2 ))
 OR {  408}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 68   and name HA  ))
 OR {  408}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 60   and name HB3 ))
 OR {  408}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 48   and name HA  ))
 OR {  408}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 74   and name HA3 ))
 OR {  408}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 74   and name HA2 ))
 OR {  408}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 22   and name HA  ))
 ASSI {  410}
   (( segid "    " and resid 63   and name HE21))
   (  segid "    " and resid 61   and name HD1%)
      2.900     1.000     1.000 peak   410 spectrum    1 weight  0.10000E+01 volume  0.29576E-03 ppm1      7.387 ppm2      0.484 CV     1
 OR {  410}
   (( segid "    " and resid 63   and name HE21))
   (  segid "    " and resid 52   and name HD1%)
 OR {  410}
   (( segid "    " and resid 63   and name HE21))
   (  segid "    " and resid 29   and name HG2%)
 OR {  410}
   (( segid "    " and resid 63   and name HE21))
   (  segid "    " and resid 23   and name HD1%)
 ASSI {  411}
   (( segid "    " and resid 63   and name HE22))
   (  segid "    " and resid 61   and name HD1%)
      2.800     1.000     1.000 peak   411 spectrum    1 weight  0.10000E+01 volume  0.32416E-03 ppm1      6.808 ppm2      0.483 CV     1
 OR {  411}
   (( segid "    " and resid 63   and name HE22))
   (  segid "    " and resid 52   and name HD1%)
 OR {  411}
   (( segid "    " and resid 63   and name HE22))
   (  segid "    " and resid 29   and name HG2%)
 OR {  411}
   (( segid "    " and resid 63   and name HE22))
   (  segid "    " and resid 23   and name HD1%)
 ASSI {  412}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 70   and name HE  ))
      5.000     3.200     1.000 peak   412 spectrum    1 weight  0.10000E+01 volume  0.35017E-03 ppm1      6.447 ppm2      7.179 CV     1
 OR {  412}
   (( segid "    " and resid 68   and name HE21))
   (  segid "    " and resid 65   and name HD% )
 OR {  412}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 64   and name HZ2 ))
 OR {  412}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 73   and name HD2 ))
 OR {  412}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 58   and name HD22))
 OR {  412}
   (( segid "    " and resid 68   and name HE21))
   (  segid "    " and resid 81   and name HE% )
 OR {  412}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 50   and name H   ))
 OR {  412}
   (( segid "    " and resid 68   and name HE21))
   (  segid "    " and resid 43   and name HE% )
 OR {  412}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 85   and name HE  ))
 OR {  412}
   (( segid "    " and resid 68   and name HE21))
   (  segid "    " and resid 1    and name HD% )
 OR {  412}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 26   and name H   ))
 OR {  412}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 22   and name H   ))
 ASSI {  414}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 70   and name HD3 ))
      5.300     3.500     0.700 peak   414 spectrum    1 weight  0.10000E+01 volume  0.20822E-03 ppm1      6.448 ppm2      3.095 CV     1
 OR {  414}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 70   and name HD2 ))
 OR {  414}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 67   and name HB3 ))
 OR {  414}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 65   and name HB2 ))
 OR {  414}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 73   and name HB2 ))
 OR {  414}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 64   and name HB2 ))
 OR {  414}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 58   and name HB3 ))
 OR {  414}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 81   and name HB2 ))
 OR {  414}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 50   and name HD2 ))
 OR {  414}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 46   and name HB3 ))
 OR {  414}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 50   and name HD3 ))
 OR {  414}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 85   and name HD3 ))
 OR {  414}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 85   and name HD2 ))
 OR {  414}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 38   and name HB3 ))
 OR {  414}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 39   and name HB2 ))
 OR {  414}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 14   and name HB2 ))
 OR {  414}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 14   and name HB3 ))
 OR {  414}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 1    and name HB3 ))
 OR {  414}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 1    and name HB2 ))
 OR {  414}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 24   and name HD3 ))
 OR {  414}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 24   and name HD2 ))
 ASSI {  415}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 70   and name HG3 ))
      5.600     3.900     0.400 peak   415 spectrum    1 weight  0.10000E+01 volume  0.23662E-03 ppm1      6.445 ppm2      1.563 CV     1
 OR {  415}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 70   and name HG2 ))
 OR {  415}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 71   and name HD2 ))
 OR {  415}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 71   and name HD3 ))
 OR {  415}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 72   and name HB3 ))
 OR {  415}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 76   and name HB2 ))
 OR {  415}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 76   and name HG  ))
 OR {  415}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 61   and name HB3 ))
 OR {  415}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 78   and name HD2 ))
 OR {  415}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 78   and name HD3 ))
 OR {  415}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 84   and name HB2 ))
 OR {  415}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 47   and name HG  ))
 OR {  415}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 84   and name HB3 ))
 OR {  415}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 84   and name HG  ))
 OR {  415}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 85   and name HG2 ))
 OR {  415}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 85   and name HG3 ))
 OR {  415}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 45   and name HG  ))
 OR {  415}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 45   and name HB3 ))
 OR {  415}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 52   and name HB  ))
 OR {  415}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 86   and name HD3 ))
 OR {  415}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 86   and name HD2 ))
 OR {  415}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 13   and name HG  ))
 OR {  415}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 31   and name HB2 ))
 OR {  415}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 16   and name HD2 ))
 OR {  415}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 16   and name HD3 ))
 OR {  415}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 3    and name HG  ))
 OR {  415}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 25   and name HG3 ))
 OR {  415}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 25   and name HD2 ))
 OR {  415}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 22   and name HB2 ))
 OR {  415}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 22   and name HB3 ))
 OR {  415}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 21   and name HD2 ))
 OR {  415}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 21   and name HD3 ))
 ASSI {  416}
   (( segid "    " and resid 80   and name HD22))
   (( segid "    " and resid 81   and name H   ))
      3.600     1.600     1.600 peak   416 spectrum    1 weight  0.10000E+01 volume  0.74058E-03 ppm1      6.841 ppm2      8.246 CV     1
 OR {  416}
   (( segid "    " and resid 80   and name HD22))
   (( segid "    " and resid 80   and name H   ))
 OR {  416}
   (( segid "    " and resid 80   and name HD22))
   (( segid "    " and resid 78   and name H   ))
 OR {  416}
   (( segid "    " and resid 80   and name HD22))
   (( segid "    " and resid 76   and name H   ))
 OR {  416}
   (( segid "    " and resid 80   and name HD22))
   (( segid "    " and resid 86   and name H   ))
 OR {  416}
   (( segid "    " and resid 80   and name HD22))
   (( segid "    " and resid 74   and name H   ))
 OR {  416}
   (( segid "    " and resid 80   and name HD22))
   (( segid "    " and resid 73   and name H   ))
 OR {  416}
   (( segid "    " and resid 80   and name HD22))
   (( segid "    " and resid 58   and name H   ))
 OR {  416}
   (( segid "    " and resid 80   and name HD22))
   (( segid "    " and resid 9    and name H   ))
 OR {  416}
   (( segid "    " and resid 80   and name HD22))
   (( segid "    " and resid 8    and name H   ))
 OR {  416}
   (( segid "    " and resid 80   and name HD22))
   (( segid "    " and resid 7    and name H   ))
 OR {  416}
   (( segid "    " and resid 80   and name HD22))
   (( segid "    " and resid 3    and name H   ))
 ASSI {  417}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 79   and name HA  ))
      2.900     1.000     1.000 peak   417 spectrum    1 weight  0.10000E+01 volume  0.32178E-03 ppm1      7.531 ppm2      4.234 CV     1
 OR {  417}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 78   and name HA  ))
 OR {  417}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 84   and name HA  ))
 OR {  417}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 85   and name HA  ))
 OR {  417}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 75   and name HA  ))
 OR {  417}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 86   and name HA  ))
 OR {  417}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 72   and name HA  ))
 OR {  417}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 64   and name HA  ))
 OR {  417}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 11   and name HB  ))
 OR {  417}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 11   and name HA  ))
 OR {  417}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 8    and name HA  ))
 OR {  417}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 7    and name HA  ))
 OR {  417}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 37   and name HA  ))
 OR {  417}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 27   and name HA  ))
 OR {  417}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 20   and name HA  ))
 ASSI {  418}
   (( segid "    " and resid 12   and name HE21))
   (( segid "    " and resid 37   and name HA  ))
      4.200     2.200     1.800 peak   418 spectrum    1 weight  0.10000E+01 volume  0.34545E-03 ppm1      6.841 ppm2      4.251 CV     1
 OR {  418}
   (( segid "    " and resid 12   and name HE21))
   (( segid "    " and resid 8    and name HA  ))
 OR {  418}
   (( segid "    " and resid 12   and name HE21))
   (( segid "    " and resid 7    and name HA  ))
 OR {  418}
   (( segid "    " and resid 80   and name HD22))
   (( segid "    " and resid 79   and name HA  ))
 OR {  418}
   (( segid "    " and resid 12   and name HE21))
   (( segid "    " and resid 11   and name HA  ))
 OR {  418}
   (( segid "    " and resid 12   and name HE21))
   (( segid "    " and resid 11   and name HB  ))
 OR {  418}
   (( segid "    " and resid 80   and name HD22))
   (( segid "    " and resid 78   and name HA  ))
 OR {  418}
   (( segid "    " and resid 12   and name HE21))
   (( segid "    " and resid 16   and name HA  ))
 OR {  418}
   (( segid "    " and resid 80   and name HD22))
   (( segid "    " and resid 84   and name HA  ))
 OR {  418}
   (( segid "    " and resid 12   and name HE21))
   (( segid "    " and resid 27   and name HA  ))
 OR {  418}
   (( segid "    " and resid 80   and name HD22))
   (( segid "    " and resid 85   and name HA  ))
 OR {  418}
   (( segid "    " and resid 80   and name HD22))
   (( segid "    " and resid 86   and name HA  ))
 OR {  418}
   (( segid "    " and resid 80   and name HD22))
   (( segid "    " and resid 75   and name HA  ))
 OR {  418}
   (( segid "    " and resid 57   and name HE22))
   (( segid "    " and resid 64   and name HA  ))
 OR {  418}
   (( segid "    " and resid 57   and name HE22))
   (( segid "    " and resid 11   and name HB  ))
 OR {  418}
   (( segid "    " and resid 57   and name HE22))
   (( segid "    " and resid 11   and name HA  ))
 OR {  418}
   (( segid "    " and resid 80   and name HD22))
   (( segid "    " and resid 72   and name HA  ))
 OR {  418}
   (( segid "    " and resid 57   and name HE22))
   (( segid "    " and resid 8    and name HA  ))
 OR {  418}
   (( segid "    " and resid 57   and name HE22))
   (( segid "    " and resid 7    and name HA  ))
 OR {  418}
   (( segid "    " and resid 57   and name HE22))
   (( segid "    " and resid 37   and name HA  ))
 OR {  418}
   (( segid "    " and resid 57   and name HE22))
   (( segid "    " and resid 16   and name HA  ))
 OR {  418}
   (( segid "    " and resid 57   and name HE22))
   (( segid "    " and resid 27   and name HA  ))
 OR {  418}
   (( segid "    " and resid 57   and name HE22))
   (( segid "    " and resid 72   and name HA  ))
 OR {  418}
   (( segid "    " and resid 12   and name HE21))
   (( segid "    " and resid 64   and name HA  ))
 OR {  418}
   (( segid "    " and resid 80   and name HD22))
   (( segid "    " and resid 64   and name HA  ))
 OR {  418}
   (( segid "    " and resid 57   and name HE22))
   (( segid "    " and resid 75   and name HA  ))
 OR {  418}
   (( segid "    " and resid 57   and name HE22))
   (( segid "    " and resid 78   and name HA  ))
 OR {  418}
   (( segid "    " and resid 57   and name HE22))
   (( segid "    " and resid 79   and name HA  ))
 OR {  418}
   (( segid "    " and resid 12   and name HE21))
   (( segid "    " and resid 72   and name HA  ))
 OR {  418}
   (( segid "    " and resid 57   and name HE22))
   (( segid "    " and resid 84   and name HA  ))
 OR {  418}
   (( segid "    " and resid 12   and name HE21))
   (( segid "    " and resid 75   and name HA  ))
 OR {  418}
   (( segid "    " and resid 57   and name HE22))
   (( segid "    " and resid 85   and name HA  ))
 OR {  418}
   (( segid "    " and resid 57   and name HE22))
   (( segid "    " and resid 86   and name HA  ))
 OR {  418}
   (( segid "    " and resid 12   and name HE21))
   (( segid "    " and resid 78   and name HA  ))
 OR {  418}
   (( segid "    " and resid 80   and name HD22))
   (( segid "    " and resid 11   and name HB  ))
 OR {  418}
   (( segid "    " and resid 80   and name HD22))
   (( segid "    " and resid 11   and name HA  ))
 OR {  418}
   (( segid "    " and resid 12   and name HE21))
   (( segid "    " and resid 79   and name HA  ))
 OR {  418}
   (( segid "    " and resid 80   and name HD22))
   (( segid "    " and resid 8    and name HA  ))
 OR {  418}
   (( segid "    " and resid 80   and name HD22))
   (( segid "    " and resid 7    and name HA  ))
 OR {  418}
   (( segid "    " and resid 80   and name HD22))
   (( segid "    " and resid 37   and name HA  ))
 OR {  418}
   (( segid "    " and resid 80   and name HD22))
   (( segid "    " and resid 16   and name HA  ))
 OR {  418}
   (( segid "    " and resid 12   and name HE21))
   (( segid "    " and resid 84   and name HA  ))
 OR {  418}
   (( segid "    " and resid 80   and name HD22))
   (( segid "    " and resid 27   and name HA  ))
 OR {  418}
   (( segid "    " and resid 12   and name HE21))
   (( segid "    " and resid 85   and name HA  ))
 OR {  418}
   (( segid "    " and resid 12   and name HE21))
   (( segid "    " and resid 86   and name HA  ))
 ASSI {  419}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 78   and name HD3 ))
      3.000     1.200     1.200 peak   419 spectrum    1 weight  0.10000E+01 volume  0.26973E-03 ppm1      7.534 ppm2      1.565 CV     1
 OR {  419}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 78   and name HD2 ))
 OR {  419}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 84   and name HB2 ))
 OR {  419}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 84   and name HB3 ))
 OR {  419}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 61   and name HB3 ))
 OR {  419}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 84   and name HG  ))
 OR {  419}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 76   and name HG  ))
 OR {  419}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 47   and name HG  ))
 OR {  419}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 76   and name HB2 ))
 OR {  419}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 85   and name HG2 ))
 OR {  419}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 85   and name HG3 ))
 OR {  419}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 52   and name HB  ))
 OR {  419}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 45   and name HG  ))
 OR {  419}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 86   and name HD3 ))
 OR {  419}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 86   and name HD2 ))
 OR {  419}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 45   and name HB3 ))
 OR {  419}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 72   and name HB3 ))
 OR {  419}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 71   and name HD3 ))
 OR {  419}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 71   and name HD2 ))
 OR {  419}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 70   and name HG2 ))
 OR {  419}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 13   and name HG  ))
 OR {  419}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 70   and name HG3 ))
 OR {  419}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 31   and name HB2 ))
 OR {  419}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 16   and name HD2 ))
 OR {  419}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 16   and name HD3 ))
 OR {  419}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 70   and name HG3 ))
 OR {  419}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 3    and name HG  ))
 OR {  419}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 70   and name HG2 ))
 OR {  419}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 25   and name HG3 ))
 OR {  419}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 71   and name HD2 ))
 OR {  419}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 71   and name HD3 ))
 OR {  419}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 25   and name HD2 ))
 OR {  419}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 72   and name HB3 ))
 OR {  419}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 22   and name HB2 ))
 OR {  419}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 22   and name HB3 ))
 OR {  419}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 21   and name HD2 ))
 OR {  419}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 21   and name HD3 ))
 OR {  419}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 76   and name HB2 ))
 OR {  419}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 76   and name HG  ))
 OR {  419}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 61   and name HB3 ))
 OR {  419}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 78   and name HD2 ))
 OR {  419}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 78   and name HD3 ))
 OR {  419}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 47   and name HG  ))
 OR {  419}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 84   and name HB2 ))
 OR {  419}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 84   and name HB3 ))
 OR {  419}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 84   and name HG  ))
 OR {  419}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 85   and name HG2 ))
 OR {  419}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 85   and name HG3 ))
 OR {  419}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 45   and name HG  ))
 OR {  419}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 45   and name HB3 ))
 OR {  419}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 52   and name HB  ))
 OR {  419}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 86   and name HD3 ))
 OR {  419}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 86   and name HD2 ))
 OR {  419}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 13   and name HG  ))
 OR {  419}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 31   and name HB2 ))
 OR {  419}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 16   and name HD2 ))
 OR {  419}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 16   and name HD3 ))
 OR {  419}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 3    and name HG  ))
 OR {  419}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 25   and name HG3 ))
 OR {  419}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 25   and name HD2 ))
 OR {  419}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 22   and name HB2 ))
 OR {  419}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 22   and name HB3 ))
 OR {  419}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 21   and name HD2 ))
 OR {  419}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 21   and name HD3 ))
 ASSI {  420}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 79   and name HB2 ))
      3.200     1.300     1.300 peak   420 spectrum    1 weight  0.10000E+01 volume  0.17983E-03 ppm1      7.545 ppm2      1.492 CV     1
 OR {  420}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 79   and name HG  ))
 OR {  420}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 84   and name HB2 ))
 OR {  420}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 50   and name HG2 ))
 OR {  420}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 61   and name HB3 ))
 OR {  420}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 84   and name HG  ))
 OR {  420}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 47   and name HG  ))
 OR {  420}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 76   and name HB3 ))
 OR {  420}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 76   and name HB2 ))
 OR {  420}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 85   and name HG2 ))
 OR {  420}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 85   and name HG3 ))
 OR {  420}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 52   and name HB  ))
 OR {  420}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 72   and name HG  ))
 OR {  420}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 72   and name HB3 ))
 OR {  420}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 70   and name HG3 ))
 OR {  420}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 15   and name HG2 ))
 OR {  420}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 15   and name HB2 ))
 OR {  420}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 3    and name HB3 ))
 OR {  420}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 16   and name HD3 ))
 OR {  420}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 3    and name HB2 ))
 OR {  420}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 70   and name HG3 ))
 OR {  420}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 2    and name HB3 ))
 OR {  420}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 27   and name HG12))
 OR {  420}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 2    and name HB2 ))
 OR {  420}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 2    and name HG  ))
 OR {  420}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 18   and name HB2 ))
 OR {  420}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 72   and name HB3 ))
 OR {  420}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 72   and name HG  ))
 OR {  420}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 23   and name HB2 ))
 OR {  420}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 21   and name HG2 ))
 OR {  420}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 76   and name HB2 ))
 OR {  420}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 76   and name HB3 ))
 OR {  420}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 61   and name HB3 ))
 OR {  420}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 79   and name HG  ))
 OR {  420}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 79   and name HB2 ))
 OR {  420}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 47   and name HG  ))
 OR {  420}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 84   and name HB2 ))
 OR {  420}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 50   and name HG2 ))
 OR {  420}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 84   and name HG  ))
 OR {  420}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 85   and name HG2 ))
 OR {  420}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 85   and name HG3 ))
 OR {  420}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 52   and name HB  ))
 OR {  420}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 15   and name HG2 ))
 OR {  420}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 15   and name HB2 ))
 OR {  420}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 3    and name HB3 ))
 OR {  420}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 16   and name HD3 ))
 OR {  420}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 3    and name HB2 ))
 OR {  420}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 2    and name HB3 ))
 OR {  420}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 27   and name HG12))
 OR {  420}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 2    and name HB2 ))
 OR {  420}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 2    and name HG  ))
 OR {  420}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 18   and name HB2 ))
 OR {  420}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 23   and name HB2 ))
 OR {  420}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 21   and name HG2 ))
 ASSI {  421}
   (( segid "    " and resid 73   and name H   ))
   (( segid "    " and resid 73   and name HD2 ))
      5.100     3.200     0.900 peak   421 spectrum    1 weight  0.10000E+01 volume  0.21294E-03 ppm1      8.275 ppm2      7.174 CV     1
 OR {  421}
   (( segid "    " and resid 73   and name H   ))
   (( segid "    " and resid 70   and name HE  ))
 OR {  421}
   (( segid "    " and resid 73   and name H   ))
   (  segid "    " and resid 65   and name HD% )
 OR {  421}
   (( segid "    " and resid 73   and name H   ))
   (( segid "    " and resid 64   and name HZ2 ))
 OR {  421}
   (( segid "    " and resid 73   and name H   ))
   (  segid "    " and resid 81   and name HE% )
 OR {  421}
   (( segid "    " and resid 73   and name H   ))
   (( segid "    " and resid 85   and name HE  ))
 OR {  421}
   (( segid "    " and resid 73   and name H   ))
   (( segid "    " and resid 58   and name HD22))
 OR {  421}
   (( segid "    " and resid 73   and name H   ))
   (  segid "    " and resid 43   and name HE% )
 OR {  421}
   (( segid "    " and resid 73   and name H   ))
   (  segid "    " and resid 1    and name HD% )
 OR {  421}
   (( segid "    " and resid 73   and name H   ))
   (( segid "    " and resid 26   and name H   ))
 OR {  421}
   (( segid "    " and resid 73   and name H   ))
   (( segid "    " and resid 22   and name H   ))
 ASSI {  422}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 65   and name H   ))
      4.700     2.700     1.300 peak   422 spectrum    1 weight  0.10000E+01 volume  0.25080E-03 ppm1      7.650 ppm2      8.119 CV     1
 OR {  422}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 7    and name H   ))
 OR {  422}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 79   and name H   ))
 OR {  422}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 19   and name H   ))
 OR {  422}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 84   and name H   ))
 OR {  422}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 85   and name H   ))
 ASSI {  423}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 12   and name HE21))
      4.600     2.700     1.400 peak   423 spectrum    1 weight  0.10000E+01 volume  0.30049E-03 ppm1      9.031 ppm2      6.776 CV     1
 OR {  423}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 12   and name HE21))
 OR {  423}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 49   and name HE22))
 OR {  423}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 49   and name HE22))
 OR {  423}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 63   and name HE22))
 OR {  423}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 64   and name HD1 ))
 OR {  423}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 63   and name HE22))
 OR {  423}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 64   and name HD1 ))
 OR {  423}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 68   and name HE22))
 OR {  423}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 68   and name HE22))
 OR {  423}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 80   and name HD22))
 OR {  423}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 80   and name HD22))
 ASSI {  425}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 64   and name HE3 ))
      4.700     2.800     1.300 peak   425 spectrum    1 weight  0.10000E+01 volume  0.26027E-03 ppm1      9.996 ppm2      7.028 CV     1
 OR {  425}
   (( segid "    " and resid 64   and name HE1 ))
   (  segid "    " and resid 65   and name HE% )
 OR {  425}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 67   and name HD2 ))
 OR {  425}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 55   and name HD2 ))
 OR {  425}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 50   and name HE  ))
 OR {  425}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 43   and name HZ  ))
 OR {  425}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 41   and name HE22))
 OR {  425}
   (( segid "    " and resid 64   and name HE1 ))
   (  segid "    " and resid 81   and name HD% )
 OR {  425}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 40   and name H   ))
 OR {  425}
   (( segid "    " and resid 64   and name HE1 ))
   (  segid "    " and resid 14   and name HD% )
 OR {  425}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 32   and name HE22))
 OR {  425}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 15   and name HE  ))
 ASSI {  426}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 65   and name HA  ))
      4.100     2.100     1.900 peak   426 spectrum    1 weight  0.10000E+01 volume  0.37148E-03 ppm1      9.994 ppm2      4.145 CV     1
 OR {  426}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 63   and name HA  ))
 OR {  426}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 62   and name HA  ))
 OR {  426}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 70   and name HA  ))
 OR {  426}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 71   and name HA  ))
 OR {  426}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 72   and name HA  ))
 OR {  426}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 75   and name HB  ))
 OR {  426}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 78   and name HA  ))
 OR {  426}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 7    and name HB  ))
 OR {  426}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 1    and name HA  ))
 OR {  426}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 19   and name HB2 ))
 OR {  426}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 24   and name HA  ))
 OR {  426}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 20   and name HA  ))
 ASSI {  427}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 60   and name HB2 ))
      2.900     1.100     1.100 peak   427 spectrum    1 weight  0.10000E+01 volume  0.27209E-03 ppm1      9.992 ppm2      3.653 CV     1
 OR {  427}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 59   and name HD2 ))
 OR {  427}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 56   and name HD2 ))
 OR {  427}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 53   and name HB3 ))
 OR {  427}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 5    and name HD2 ))
 OR {  427}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 17   and name HD3 ))
 OR {  427}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 26   and name HA  ))
 OR {  427}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 88   and name HA3 ))
 OR {  427}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 88   and name HA2 ))
 OR {  427}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 23   and name HA  ))
 ASSI {  428}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 66   and name HG2 ))
      3.900     1.900     1.900 peak   428 spectrum    1 weight  0.10000E+01 volume  0.12043E-02 ppm1      9.991 ppm2      2.162 CV     1
 OR {  428}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 69   and name HG2 ))
 OR {  428}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 69   and name HG3 ))
 OR {  428}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 49   and name HB2 ))
 OR {  428}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 54   and name HB  ))
 OR {  428}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 77   and name HB3 ))
 OR {  428}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 33   and name HG2 ))
 OR {  428}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 32   and name HG3 ))
 OR {  428}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 5    and name HB2 ))
 OR {  428}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 30   and name HG3 ))
 OR {  428}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 30   and name HB3 ))
 OR {  428}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 30   and name HG2 ))
 OR {  428}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 28   and name HG3 ))
 OR {  428}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 17   and name HB2 ))
 OR {  428}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 26   and name HB  ))
 ASSI {  429}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 66   and name HB2 ))
      4.700     2.700     1.300 peak   429 spectrum    1 weight  0.10000E+01 volume  0.33362E-03 ppm1      9.995 ppm2      1.867 CV     1
 OR {  429}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 68   and name HG2 ))
 OR {  429}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 68   and name HB2 ))
 OR {  429}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 69   and name HB2 ))
 OR {  429}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 56   and name HB3 ))
 OR {  429}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 47   and name HB3 ))
 OR {  429}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 50   and name HB2 ))
 OR {  429}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 49   and name HB3 ))
 OR {  429}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 50   and name HB3 ))
 OR {  429}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 77   and name HG2 ))
 OR {  429}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 77   and name HG3 ))
 OR {  429}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 44   and name HB  ))
 OR {  429}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 41   and name HG3 ))
 OR {  429}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 12   and name HB2 ))
 OR {  429}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 13   and name HB3 ))
 OR {  429}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 32   and name HB2 ))
 OR {  429}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 5    and name HG2 ))
 OR {  429}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 15   and name HB3 ))
 OR {  429}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 5    and name HB3 ))
 OR {  429}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 5    and name HG3 ))
 OR {  429}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 4    and name HB2 ))
 OR {  429}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 28   and name HB3 ))
 OR {  429}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 27   and name HB  ))
 OR {  429}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 17   and name HG2 ))
 OR {  429}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 87   and name HB3 ))
 OR {  429}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 24   and name HB2 ))
 ASSI {  430}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 68   and name HG3 ))
      2.700     0.900     0.900 peak   430 spectrum    1 weight  0.10000E+01 volume  0.48268E-03 ppm1      9.992 ppm2      1.750 CV     1
 OR {  430}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 70   and name HB2 ))
 OR {  430}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 70   and name HB3 ))
 OR {  430}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 71   and name HB3 ))
 OR {  430}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 56   and name HG3 ))
 OR {  430}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 50   and name HB2 ))
 OR {  430}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {  430}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 77   and name HB2 ))
 OR {  430}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 78   and name HB2 ))
 OR {  430}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 41   and name HB2 ))
 OR {  430}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 41   and name HB3 ))
 OR {  430}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 32   and name HB3 ))
 OR {  430}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 29   and name HB  ))
 OR {  430}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 16   and name HB2 ))
 OR {  430}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 85   and name HB3 ))
 OR {  430}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 85   and name HB2 ))
 OR {  430}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 27   and name HB  ))
 OR {  430}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 17   and name HB3 ))
 OR {  430}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 86   and name HB2 ))
 OR {  430}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 86   and name HB3 ))
 OR {  430}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 18   and name HG  ))
 OR {  430}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 24   and name HB3 ))
 OR {  430}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 24   and name HG2 ))
 OR {  430}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 24   and name HG3 ))
 ASSI {  431}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 61   and name HB3 ))
      2.700     0.900     0.900 peak   431 spectrum    1 weight  0.10000E+01 volume  0.41170E-03 ppm1      9.990 ppm2      1.473 CV     1
 OR {  431}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 70   and name HG3 ))
 OR {  431}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 72   and name HB3 ))
 OR {  431}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 72   and name HG  ))
 OR {  431}
   (( segid "    " and resid 64   and name HE1 ))
   (  segid "    " and resid 48   and name HB% )
 OR {  431}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 50   and name HG2 ))
 OR {  431}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 47   and name HG  ))
 OR {  431}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 76   and name HB2 ))
 OR {  431}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 76   and name HB3 ))
 OR {  431}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 52   and name HB  ))
 OR {  431}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 79   and name HG  ))
 OR {  431}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 79   and name HB2 ))
 OR {  431}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 40   and name HB2 ))
 OR {  431}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 15   and name HG2 ))
 OR {  431}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 15   and name HB2 ))
 OR {  431}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 84   and name HB2 ))
 OR {  431}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 84   and name HG  ))
 OR {  431}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 3    and name HB3 ))
 OR {  431}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {  431}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 3    and name HB2 ))
 OR {  431}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {  431}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 2    and name HB3 ))
 OR {  431}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 85   and name HG3 ))
 OR {  431}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 27   and name HG12))
 OR {  431}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 2    and name HB2 ))
 OR {  431}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 2    and name HG  ))
 OR {  431}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 18   and name HB2 ))
 OR {  431}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 23   and name HB2 ))
 OR {  431}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 22   and name HG  ))
 OR {  431}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 21   and name HG2 ))
 ASSI {  432}
   (( segid "    " and resid 64   and name HE1 ))
   (  segid "    " and resid 72   and name HD2%)
      2.300     0.700     0.700 peak   432 spectrum    1 weight  0.10000E+01 volume  0.10600E-02 ppm1      9.992 ppm2      0.832 CV     1
 OR {  432}
   (( segid "    " and resid 64   and name HE1 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  432}
   (( segid "    " and resid 64   and name HE1 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  432}
   (( segid "    " and resid 64   and name HE1 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  432}
   (( segid "    " and resid 64   and name HE1 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  432}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 52   and name HG13))
 OR {  432}
   (( segid "    " and resid 64   and name HE1 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  432}
   (( segid "    " and resid 64   and name HE1 ))
   (  segid "    " and resid 13   and name HD1%)
 OR {  432}
   (( segid "    " and resid 64   and name HE1 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  432}
   (( segid "    " and resid 64   and name HE1 ))
   (  segid "    " and resid 84   and name HD1%)
 OR {  432}
   (( segid "    " and resid 64   and name HE1 ))
   (  segid "    " and resid 27   and name HG2%)
 OR {  432}
   (( segid "    " and resid 64   and name HE1 ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  432}
   (( segid "    " and resid 64   and name HE1 ))
   (  segid "    " and resid 3    and name HD1%)
 OR {  432}
   (( segid "    " and resid 64   and name HE1 ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  432}
   (( segid "    " and resid 64   and name HE1 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  432}
   (( segid "    " and resid 64   and name HE1 ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  432}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 23   and name HB3 ))
 ASSI {  433}
   (( segid "    " and resid 64   and name HE1 ))
   (  segid "    " and resid 72   and name HD1%)
      2.300     0.700     0.700 peak   433 spectrum    1 weight  0.10000E+01 volume  0.11546E-02 ppm1      9.992 ppm2      0.683 CV     1
 OR {  433}
   (( segid "    " and resid 64   and name HE1 ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  433}
   (( segid "    " and resid 64   and name HE1 ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  433}
   (( segid "    " and resid 64   and name HE1 ))
   (  segid "    " and resid 52   and name HG2%)
 OR {  433}
   (( segid "    " and resid 64   and name HE1 ))
   (  segid "    " and resid 79   and name HD1%)
 OR {  433}
   (( segid "    " and resid 64   and name HE1 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  433}
   (( segid "    " and resid 64   and name HE1 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  433}
   (( segid "    " and resid 64   and name HE1 ))
   (  segid "    " and resid 31   and name HD1%)
 OR {  433}
   (( segid "    " and resid 64   and name HE1 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  433}
   (( segid "    " and resid 64   and name HE1 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  433}
   (( segid "    " and resid 64   and name HE1 ))
   (  segid "    " and resid 26   and name HG2%)
 OR {  433}
   (( segid "    " and resid 64   and name HE1 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  433}
   (( segid "    " and resid 64   and name HE1 ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  433}
   (( segid "    " and resid 64   and name HE1 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  433}
   (( segid "    " and resid 64   and name HE1 ))
   (  segid "    " and resid 22   and name HD2%)
 ASSI {  434}
   (( segid "    " and resid 64   and name HE1 ))
   (  segid "    " and resid 61   and name HD1%)
      2.500     0.800     0.800 peak   434 spectrum    1 weight  0.10000E+01 volume  0.78317E-03 ppm1      9.991 ppm2      0.492 CV     1
 OR {  434}
   (( segid "    " and resid 64   and name HE1 ))
   (  segid "    " and resid 52   and name HD1%)
 OR {  434}
   (( segid "    " and resid 64   and name HE1 ))
   (  segid "    " and resid 29   and name HG2%)
 OR {  434}
   (( segid "    " and resid 64   and name HE1 ))
   (  segid "    " and resid 23   and name HD1%)
 ASSI {  435}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 49   and name HE22))
      5.500     3.700     0.500 peak   435 spectrum    1 weight  0.10000E+01 volume  0.17509E-03 ppm1      8.741 ppm2      6.782 CV     1
 OR {  435}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 57   and name HE22))
 OR {  435}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 12   and name HE21))
 OR {  435}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 63   and name HE22))
 OR {  435}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 64   and name HD1 ))
 OR {  435}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 68   and name HE22))
 OR {  435}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 80   and name HD22))
 ASSI {  436}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 49   and name HE21))
      5.500     3.800     0.500 peak   436 spectrum    1 weight  0.10000E+01 volume  0.17509E-03 ppm1      8.739 ppm2      7.520 CV     1
 OR {  436}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 57   and name HE21))
 OR {  436}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 12   and name HE22))
 OR {  436}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 36   and name H   ))
 OR {  436}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 61   and name H   ))
 OR {  436}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 28   and name H   ))
 OR {  436}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 80   and name HD21))
 ASSI {  437}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 67   and name H   ))
      3.600     1.600     1.600 peak   437 spectrum    1 weight  0.10000E+01 volume  0.20206E-02 ppm1      8.021 ppm2      7.905 CV     1
 OR {  437}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 68   and name H   ))
 OR {  437}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 63   and name H   ))
 OR {  437}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 32   and name HE21))
 OR {  437}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 88   and name H   ))
 OR {  437}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 21   and name H   ))
 ASSI {  438}
   (( segid "    " and resid 11   and name H   ))
   (  segid "    " and resid 40   and name HD2%)
      5.500     3.800     0.500 peak   438 spectrum    1 weight  0.10000E+01 volume  0.15853E-03 ppm1      8.856 ppm2      0.756 CV     1
 OR {  438}
   (( segid "    " and resid 11   and name H   ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  438}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 52   and name HG13))
 OR {  438}
   (( segid "    " and resid 11   and name H   ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  438}
   (( segid "    " and resid 11   and name H   ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  438}
   (( segid "    " and resid 11   and name H   ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  438}
   (( segid "    " and resid 11   and name H   ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  438}
   (( segid "    " and resid 11   and name H   ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  438}
   (( segid "    " and resid 11   and name H   ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  438}
   (( segid "    " and resid 11   and name H   ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  438}
   (( segid "    " and resid 11   and name H   ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  438}
   (( segid "    " and resid 11   and name H   ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  438}
   (( segid "    " and resid 11   and name H   ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  438}
   (( segid "    " and resid 11   and name H   ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  438}
   (( segid "    " and resid 11   and name H   ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  438}
   (( segid "    " and resid 11   and name H   ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  438}
   (( segid "    " and resid 11   and name H   ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  438}
   (( segid "    " and resid 11   and name H   ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  438}
   (( segid "    " and resid 11   and name H   ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  438}
   (( segid "    " and resid 11   and name H   ))
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  439}
   (( segid "    " and resid 72   and name H   ))
   (( segid "    " and resid 70   and name HE  ))
      5.000     3.100     1.000 peak   439 spectrum    1 weight  0.10000E+01 volume  0.22241E-03 ppm1      8.010 ppm2      7.178 CV     1
 OR {  439}
   (( segid "    " and resid 72   and name H   ))
   (( segid "    " and resid 73   and name HD2 ))
 OR {  439}
   (( segid "    " and resid 72   and name H   ))
   (  segid "    " and resid 65   and name HD% )
 OR {  439}
   (( segid "    " and resid 72   and name H   ))
   (( segid "    " and resid 64   and name HZ2 ))
 OR {  439}
   (( segid "    " and resid 72   and name H   ))
   (  segid "    " and resid 81   and name HE% )
 OR {  439}
   (( segid "    " and resid 72   and name H   ))
   (( segid "    " and resid 85   and name HE  ))
 OR {  439}
   (( segid "    " and resid 72   and name H   ))
   (( segid "    " and resid 58   and name HD22))
 OR {  439}
   (( segid "    " and resid 72   and name H   ))
   (( segid "    " and resid 50   and name H   ))
 OR {  439}
   (( segid "    " and resid 72   and name H   ))
   (  segid "    " and resid 43   and name HE% )
 OR {  439}
   (( segid "    " and resid 72   and name H   ))
   (  segid "    " and resid 1    and name HD% )
 OR {  439}
   (( segid "    " and resid 72   and name H   ))
   (( segid "    " and resid 26   and name H   ))
 OR {  439}
   (( segid "    " and resid 72   and name H   ))
   (( segid "    " and resid 22   and name H   ))
 ASSI {  440}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 70   and name HE  ))
      6.000     5.000     0.000 peak   440 spectrum    1 weight  0.10000E+01 volume  0.17746E-03 ppm1      8.020 ppm2      7.185 CV     1
 OR {  440}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 73   and name HD2 ))
 OR {  440}
   (( segid "    " and resid 70   and name H   ))
   (  segid "    " and resid 65   and name HD% )
 OR {  440}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 64   and name HZ2 ))
 OR {  440}
   (( segid "    " and resid 70   and name H   ))
   (  segid "    " and resid 81   and name HE% )
 OR {  440}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 58   and name HD22))
 OR {  440}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 85   and name HE  ))
 OR {  440}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 50   and name H   ))
 OR {  440}
   (( segid "    " and resid 70   and name H   ))
   (  segid "    " and resid 43   and name HE% )
 OR {  440}
   (( segid "    " and resid 70   and name H   ))
   (  segid "    " and resid 1    and name HD% )
 OR {  440}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 26   and name H   ))
 OR {  440}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 22   and name H   ))
 ASSI {  441}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 45   and name H   ))
      4.400     2.400     1.600 peak   441 spectrum    1 weight  0.10000E+01 volume  0.33598E-03 ppm1      8.736 ppm2      9.037 CV     1
 OR {  441}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 30   and name H   ))
 OR {  441}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 27   and name H   ))
 ASSI {  442}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 26   and name H   ))
      3.100     1.200     1.200 peak   442 spectrum    1 weight  0.10000E+01 volume  0.17983E-03 ppm1      8.851 ppm2      7.216 CV     1
 OR {  442}
   (( segid "    " and resid 31   and name H   ))
   (  segid "    " and resid 1    and name HD% )
 OR {  442}
   (( segid "    " and resid 31   and name H   ))
   (  segid "    " and resid 43   and name HE% )
 OR {  442}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 1    and name HZ  ))
 OR {  442}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 22   and name H   ))
 OR {  442}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 50   and name H   ))
 OR {  442}
   (( segid "    " and resid 31   and name H   ))
   (  segid "    " and resid 65   and name HD% )
 OR {  442}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 64   and name HZ2 ))
 OR {  442}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 70   and name HE  ))
 OR {  442}
   (( segid "    " and resid 31   and name H   ))
   (  segid "    " and resid 81   and name HE% )
 OR {  442}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 85   and name HE  ))
 ASSI {  443}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 12   and name HE21))
      5.000     3.100     1.000 peak   443 spectrum    1 weight  0.10000E+01 volume  0.21294E-03 ppm1      8.862 ppm2      6.874 CV     1
 OR {  443}
   (( segid "    " and resid 31   and name H   ))
   (  segid "    " and resid 43   and name HD% )
 OR {  443}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 57   and name HE22))
 OR {  443}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 64   and name HD1 ))
 OR {  443}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 63   and name HE22))
 OR {  443}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 64   and name HH2 ))
 OR {  443}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 65   and name HZ  ))
 OR {  443}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 80   and name HD22))
 ASSI {  445}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 49   and name HA  ))
      5.000     3.100     1.000 peak   445 spectrum    1 weight  0.10000E+01 volume  0.22715E-03 ppm1      8.730 ppm2      4.456 CV     1
 OR {  445}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 44   and name HA  ))
 OR {  445}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 52   and name HA  ))
 OR {  445}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 57   and name HA  ))
 OR {  445}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 9    and name HA  ))
 OR {  445}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 40   and name HA  ))
 OR {  445}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 59   and name HA  ))
 OR {  445}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 12   and name HA  ))
 OR {  445}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 14   and name HA  ))
 OR {  445}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 32   and name HA  ))
 OR {  445}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 31   and name HA  ))
 OR {  445}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 17   and name HA  ))
 OR {  445}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 18   and name HA  ))
 OR {  445}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 67   and name HA  ))
 OR {  445}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 81   and name HA  ))
 OR {  445}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 87   and name HA  ))
 ASSI {  446}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 64   and name HA  ))
      3.100     1.200     1.200 peak   446 spectrum    1 weight  0.10000E+01 volume  0.17983E-03 ppm1      7.912 ppm2      4.268 CV     1
 OR {  446}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 72   and name HA  ))
 OR {  446}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 75   and name HA  ))
 OR {  446}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 77   and name HA  ))
 OR {  446}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 78   and name HA  ))
 OR {  446}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 79   and name HA  ))
 OR {  446}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 56   and name HA  ))
 OR {  446}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 84   and name HA  ))
 OR {  446}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 85   and name HA  ))
 OR {  446}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 86   and name HA  ))
 OR {  446}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 11   and name HB  ))
 OR {  446}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 11   and name HA  ))
 OR {  446}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 8    and name HA  ))
 OR {  446}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 7    and name HA  ))
 OR {  446}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 37   and name HA  ))
 OR {  446}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 15   and name HA  ))
 OR {  446}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 16   and name HA  ))
 OR {  446}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 27   and name HA  ))
 ASSI {  447}
   (( segid "    " and resid 12   and name HE21))
   (  segid "    " and resid 31   and name HD2%)
      4.300     2.300     1.700 peak   447 spectrum    1 weight  0.10000E+01 volume  0.62227E-03 ppm1      6.839 ppm2      0.341 CV     1
 OR {  447}
   (( segid "    " and resid 63   and name HE22))
   (  segid "    " and resid 61   and name HD2%)
 OR {  447}
   (( segid "    " and resid 49   and name HE22))
   (  segid "    " and resid 44   and name HG1%)
 OR {  447}
   (( segid "    " and resid 57   and name HE22))
   (  segid "    " and resid 61   and name HD2%)
 OR {  447}
   (( segid "    " and resid 12   and name HE21))
   (  segid "    " and resid 44   and name HG1%)
 OR {  447}
   (( segid "    " and resid 49   and name HE22))
   (  segid "    " and resid 31   and name HD2%)
 OR {  447}
   (( segid "    " and resid 57   and name HE22))
   (  segid "    " and resid 44   and name HG1%)
 OR {  447}
   (( segid "    " and resid 49   and name HE22))
   (  segid "    " and resid 61   and name HD2%)
 OR {  447}
   (( segid "    " and resid 57   and name HE22))
   (  segid "    " and resid 31   and name HD2%)
 OR {  447}
   (( segid "    " and resid 63   and name HE22))
   (  segid "    " and resid 44   and name HG1%)
 OR {  447}
   (( segid "    " and resid 12   and name HE21))
   (  segid "    " and resid 61   and name HD2%)
 OR {  447}
   (( segid "    " and resid 63   and name HE22))
   (  segid "    " and resid 31   and name HD2%)
 ASSI {  448}
   (( segid "    " and resid 49   and name HE22))
   (  segid "    " and resid 45   and name HD1%)
      4.300     2.300     1.700 peak   448 spectrum    1 weight  0.10000E+01 volume  0.55603E-03 ppm1      6.838 ppm2      0.651 CV     1
 OR {  448}
   (( segid "    " and resid 49   and name HE22))
   (  segid "    " and resid 45   and name HD2%)
 OR {  448}
   (( segid "    " and resid 12   and name HE21))
   (  segid "    " and resid 31   and name HD1%)
 OR {  448}
   (( segid "    " and resid 49   and name HE22))
   (  segid "    " and resid 52   and name HG2%)
 OR {  448}
   (( segid "    " and resid 49   and name HE22))
   (  segid "    " and resid 47   and name HD2%)
 OR {  448}
   (( segid "    " and resid 49   and name HE22))
   (  segid "    " and resid 47   and name HD1%)
 OR {  448}
   (( segid "    " and resid 12   and name HE21))
   (  segid "    " and resid 52   and name HG2%)
 OR {  448}
   (( segid "    " and resid 57   and name HE22))
   (  segid "    " and resid 47   and name HD2%)
 OR {  448}
   (( segid "    " and resid 57   and name HE22))
   (  segid "    " and resid 47   and name HD1%)
 OR {  448}
   (( segid "    " and resid 12   and name HE21))
   (  segid "    " and resid 26   and name HG2%)
 OR {  448}
   (( segid "    " and resid 12   and name HE21))
   (  segid "    " and resid 45   and name HD2%)
 OR {  448}
   (( segid "    " and resid 12   and name HE21))
   (  segid "    " and resid 18   and name HD2%)
 OR {  448}
   (( segid "    " and resid 12   and name HE21))
   (  segid "    " and resid 18   and name HD1%)
 OR {  448}
   (( segid "    " and resid 12   and name HE21))
   (  segid "    " and resid 45   and name HD1%)
 OR {  448}
   (( segid "    " and resid 57   and name HE22))
   (  segid "    " and resid 45   and name HD1%)
 OR {  448}
   (( segid "    " and resid 57   and name HE22))
   (  segid "    " and resid 52   and name HG2%)
 OR {  448}
   (( segid "    " and resid 12   and name HE21))
   (  segid "    " and resid 47   and name HD1%)
 OR {  448}
   (( segid "    " and resid 57   and name HE22))
   (  segid "    " and resid 45   and name HD2%)
 OR {  448}
   (( segid "    " and resid 12   and name HE21))
   (  segid "    " and resid 47   and name HD2%)
 OR {  448}
   (( segid "    " and resid 49   and name HE22))
   (  segid "    " and resid 31   and name HD1%)
 OR {  448}
   (( segid "    " and resid 12   and name HE21))
   (  segid "    " and resid 22   and name HD2%)
 OR {  448}
   (( segid "    " and resid 63   and name HE22))
   (  segid "    " and resid 47   and name HD2%)
 OR {  448}
   (( segid "    " and resid 63   and name HE22))
   (  segid "    " and resid 47   and name HD1%)
 OR {  448}
   (( segid "    " and resid 49   and name HE22))
   (  segid "    " and resid 26   and name HG2%)
 OR {  448}
   (( segid "    " and resid 57   and name HE22))
   (  segid "    " and resid 31   and name HD1%)
 OR {  448}
   (( segid "    " and resid 49   and name HE22))
   (  segid "    " and resid 18   and name HD2%)
 OR {  448}
   (( segid "    " and resid 63   and name HE22))
   (  segid "    " and resid 45   and name HD1%)
 OR {  448}
   (( segid "    " and resid 49   and name HE22))
   (  segid "    " and resid 18   and name HD1%)
 OR {  448}
   (( segid "    " and resid 63   and name HE22))
   (  segid "    " and resid 45   and name HD2%)
 OR {  448}
   (( segid "    " and resid 63   and name HE22))
   (  segid "    " and resid 52   and name HG2%)
 OR {  448}
   (( segid "    " and resid 49   and name HE22))
   (  segid "    " and resid 22   and name HD2%)
 OR {  448}
   (( segid "    " and resid 57   and name HE22))
   (  segid "    " and resid 26   and name HG2%)
 OR {  448}
   (( segid "    " and resid 57   and name HE22))
   (  segid "    " and resid 18   and name HD2%)
 OR {  448}
   (( segid "    " and resid 57   and name HE22))
   (  segid "    " and resid 18   and name HD1%)
 OR {  448}
   (( segid "    " and resid 63   and name HE22))
   (  segid "    " and resid 79   and name HD1%)
 OR {  448}
   (( segid "    " and resid 57   and name HE22))
   (  segid "    " and resid 22   and name HD2%)
 OR {  448}
   (( segid "    " and resid 63   and name HE22))
   (  segid "    " and resid 31   and name HD1%)
 OR {  448}
   (( segid "    " and resid 63   and name HE22))
   (  segid "    " and resid 26   and name HG2%)
 OR {  448}
   (( segid "    " and resid 63   and name HE22))
   (  segid "    " and resid 18   and name HD2%)
 OR {  448}
   (( segid "    " and resid 63   and name HE22))
   (  segid "    " and resid 18   and name HD1%)
 OR {  448}
   (( segid "    " and resid 57   and name HE22))
   (  segid "    " and resid 79   and name HD1%)
 OR {  448}
   (( segid "    " and resid 63   and name HE22))
   (  segid "    " and resid 22   and name HD2%)
 OR {  448}
   (( segid "    " and resid 49   and name HE22))
   (  segid "    " and resid 79   and name HD1%)
 OR {  448}
   (( segid "    " and resid 12   and name HE21))
   (  segid "    " and resid 79   and name HD1%)
 ASSI {  449}
   (( segid "    " and resid 12   and name HE22))
   (( segid "    " and resid 12   and name HB2 ))
      4.300     2.400     1.700 peak   449 spectrum    1 weight  0.10000E+01 volume  0.73822E-03 ppm1      7.448 ppm2      1.881 CV     1
 OR {  449}
   (( segid "    " and resid 12   and name HE22))
   (( segid "    " and resid 13   and name HB3 ))
 OR {  449}
   (( segid "    " and resid 12   and name HE22))
   (( segid "    " and resid 5    and name HG2 ))
 OR {  449}
   (( segid "    " and resid 12   and name HE22))
   (( segid "    " and resid 15   and name HB3 ))
 OR {  449}
   (( segid "    " and resid 12   and name HE22))
   (( segid "    " and resid 5    and name HG3 ))
 OR {  449}
   (( segid "    " and resid 12   and name HE22))
   (( segid "    " and resid 5    and name HB3 ))
 OR {  449}
   (( segid "    " and resid 12   and name HE22))
   (( segid "    " and resid 32   and name HB2 ))
 OR {  449}
   (( segid "    " and resid 12   and name HE22))
   (( segid "    " and resid 28   and name HB3 ))
 OR {  449}
   (( segid "    " and resid 12   and name HE22))
   (( segid "    " and resid 4    and name HB2 ))
 OR {  449}
   (( segid "    " and resid 12   and name HE22))
   (( segid "    " and resid 4    and name HG3 ))
 OR {  449}
   (( segid "    " and resid 12   and name HE22))
   (( segid "    " and resid 27   and name HB  ))
 OR {  449}
   (( segid "    " and resid 12   and name HE22))
   (( segid "    " and resid 44   and name HB  ))
 OR {  449}
   (( segid "    " and resid 12   and name HE22))
   (( segid "    " and resid 17   and name HG2 ))
 OR {  449}
   (( segid "    " and resid 12   and name HE22))
   (( segid "    " and resid 41   and name HG3 ))
 OR {  449}
   (( segid "    " and resid 12   and name HE22))
   (( segid "    " and resid 50   and name HB3 ))
 OR {  449}
   (( segid "    " and resid 12   and name HE22))
   (( segid "    " and resid 49   and name HB3 ))
 OR {  449}
   (( segid "    " and resid 12   and name HE22))
   (( segid "    " and resid 24   and name HB2 ))
 OR {  449}
   (( segid "    " and resid 12   and name HE22))
   (( segid "    " and resid 50   and name HB2 ))
 OR {  449}
   (( segid "    " and resid 12   and name HE22))
   (( segid "    " and resid 47   and name HB3 ))
 OR {  449}
   (( segid "    " and resid 12   and name HE22))
   (( segid "    " and resid 56   and name HB3 ))
 OR {  449}
   (( segid "    " and resid 12   and name HE22))
   (( segid "    " and resid 66   and name HB2 ))
 OR {  449}
   (( segid "    " and resid 12   and name HE22))
   (( segid "    " and resid 68   and name HG2 ))
 OR {  449}
   (( segid "    " and resid 12   and name HE22))
   (( segid "    " and resid 68   and name HB2 ))
 OR {  449}
   (( segid "    " and resid 12   and name HE22))
   (( segid "    " and resid 69   and name HB2 ))
 OR {  449}
   (( segid "    " and resid 12   and name HE22))
   (( segid "    " and resid 77   and name HG2 ))
 OR {  449}
   (( segid "    " and resid 12   and name HE22))
   (( segid "    " and resid 77   and name HG3 ))
 OR {  449}
   (( segid "    " and resid 12   and name HE22))
   (( segid "    " and resid 83   and name HB2 ))
 OR {  449}
   (( segid "    " and resid 12   and name HE22))
   (( segid "    " and resid 87   and name HB3 ))
 ASSI {  463}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 70   and name H   ))
      3.700     1.700     1.700 peak   463 spectrum    1 weight  0.10000E+01 volume  0.17201E-02 ppm1      8.325 ppm2      8.028 CV     1
 OR {  463}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 66   and name H   ))
 ASSI {  495}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 45   and name H   ))
      3.800     1.800     1.800 peak   495 spectrum    1 weight  0.10000E+01 volume  0.11073E-02 ppm1      9.536 ppm2      9.040 CV     1
 OR {  495}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 30   and name H   ))
 ASSI {  569}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 85   and name HA  ))
      1.900     0.500     0.500 peak   569 spectrum    1 weight  0.10000E+01 volume  0.17353E-01 ppm1      8.118 ppm2      4.250 CV     1
 OR {  569}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 86   and name HA  ))
 ASSI {  597}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 85   and name HA  ))
      1.900     0.500     0.500 peak   597 spectrum    1 weight  0.10000E+01 volume  0.16825E-01 ppm1      8.231 ppm2      4.246 CV     1
 OR {  597}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 86   and name HA  ))
 ASSI {  609}
   (( segid "    " and resid 79   and name H   ))
   (( segid "    " and resid 79   and name HA  ))
      2.000     0.500     0.500 peak   609 spectrum    1 weight  0.10000E+01 volume  0.15841E-01 ppm1      8.094 ppm2      4.207 CV     1
 OR {  609}
   (( segid "    " and resid 79   and name H   ))
   (( segid "    " and resid 78   and name HA  ))
 ASSI {  633}
   (( segid "    " and resid 72   and name H   ))
   (( segid "    " and resid 71   and name HA  ))
      2.500     0.800     0.800 peak   633 spectrum    1 weight  0.10000E+01 volume  0.44789E-02 ppm1      7.999 ppm2      4.163 CV     1
 OR {  633}
   (( segid "    " and resid 72   and name H   ))
   (( segid "    " and resid 72   and name HA  ))
 ASSI {  635}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 70   and name HA  ))
      2.600     0.800     0.800 peak   635 spectrum    1 weight  0.10000E+01 volume  0.47344E-02 ppm1      7.984 ppm2      4.138 CV     1
 OR {  635}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 71   and name HA  ))
 ASSI {  636}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 69   and name HA  ))
      2.500     0.800     0.800 peak   636 spectrum    1 weight  0.10000E+01 volume  0.72402E-03 ppm1      7.985 ppm2      4.005 CV     1
 OR {  636}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 68   and name HA  ))
 ASSI {  643}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 68   and name HA  ))
      2.700     0.900     0.900 peak   643 spectrum    1 weight  0.10000E+01 volume  0.42992E-02 ppm1      8.326 ppm2      4.010 CV     1
 OR {  643}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 69   and name HA  ))
 ASSI {  921}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 22   and name H   ))
      3.700     1.700     1.700 peak   921 spectrum    1 weight  0.10000E+01 volume  0.17201E-02 ppm1      7.730 ppm2      7.221 CV     1
 OR {  921}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 26   and name H   ))
 ASSI {  959}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 20   and name HA  ))
      2.900     1.000     1.000 peak   959 spectrum    1 weight  0.10000E+01 volume  0.55012E-02 ppm1      8.878 ppm2      4.161 CV     1
 OR {  959}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 19   and name HB2 ))
 ASSI {  970}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 17   and name HA  ))
      2.500     0.800     0.800 peak   970 spectrum    1 weight  0.10000E+01 volume  0.67243E-02 ppm1      8.451 ppm2      4.470 CV     1
 OR {  970}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI {  986}
   (( segid "    " and resid 13   and name H   ))
   (( segid "    " and resid 13   and name HB3 ))
      2.800     1.000     1.000 peak   986 spectrum    1 weight  0.10000E+01 volume  0.40460E-02 ppm1      8.556 ppm2      1.919 CV     1
 OR {  986}
   (( segid "    " and resid 13   and name H   ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI { 1019}
   (( segid "    " and resid 6    and name H   ))
   (( segid "    " and resid 6    and name HA  ))
      2.200     0.600     0.600 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.15798E-01 ppm1      8.371 ppm2      4.381 CV     1
 OR { 1019}
   (( segid "    " and resid 6    and name H   ))
   (( segid "    " and resid 5    and name HA  ))
 ASSI {    1}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 85   and name HA  ))
      3.600     1.600     1.600 peak     1 spectrum    1 weight  0.10000E+01 volume  0.28761E-02 ppm1      2.007 ppm2      4.243 CV     1
 OR {    1}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 85   and name HA  ))
 ASSI {    2}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 83   and name HA  ))
      3.800     1.800     1.800 peak     2 spectrum    1 weight  0.10000E+01 volume  0.28595E-02 ppm1      2.003 ppm2      4.393 CV     1
 OR {    2}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 81   and name HA  ))
 OR {    2}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 83   and name HA  ))
 OR {    2}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 77   and name HA  ))
 OR {    2}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 81   and name HA  ))
 OR {    2}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 77   and name HA  ))
 OR {    2}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 67   and name HA  ))
 OR {    2}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 67   and name HA  ))
 OR {    2}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 60   and name HA  ))
 OR {    2}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 59   and name HA  ))
 OR {    2}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 60   and name HA  ))
 OR {    2}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 56   and name HA  ))
 OR {    2}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 59   and name HA  ))
 OR {    2}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 55   and name HA  ))
 OR {    2}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 49   and name HA  ))
 OR {    2}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 56   and name HA  ))
 OR {    2}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 55   and name HA  ))
 OR {    2}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 49   and name HA  ))
 OR {    2}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 42   and name HA  ))
 OR {    2}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 40   and name HA  ))
 OR {    2}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 13   and name HA  ))
 OR {    2}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 33   and name HA  ))
 OR {    2}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 6    and name HA  ))
 OR {    2}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 42   and name HA  ))
 OR {    2}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 5    and name HA  ))
 OR {    2}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 15   and name HA  ))
 OR {    2}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 40   and name HA  ))
 OR {    2}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 13   and name HA  ))
 OR {    2}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 2    and name HA  ))
 OR {    2}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 33   and name HA  ))
 OR {    2}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 18   and name HA  ))
 OR {    2}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 6    and name HA  ))
 OR {    2}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 25   and name HA  ))
 OR {    2}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 19   and name HA  ))
 OR {    2}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 5    and name HA  ))
 OR {    2}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 15   and name HA  ))
 OR {    2}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 2    and name HA  ))
 OR {    2}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 18   and name HA  ))
 OR {    2}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 25   and name HA  ))
 OR {    2}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 19   and name HA  ))
 ASSI {    3}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 80   and name HD22))
      2.100     0.500     0.500 peak     3 spectrum    1 weight  0.10000E+01 volume  0.19877E-02 ppm1      2.011 ppm2      6.855 CV     1
 OR {    3}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 80   and name HD22))
 OR {    3}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 65   and name HZ  ))
 OR {    3}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 64   and name HH2 ))
 OR {    3}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 64   and name HD1 ))
 OR {    3}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 63   and name HE22))
 OR {    3}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 65   and name HZ  ))
 OR {    3}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 64   and name HH2 ))
 OR {    3}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 63   and name HE22))
 OR {    3}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 64   and name HD1 ))
 OR {    3}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 57   and name HE22))
 OR {    3}
   (  segid "    " and resid 83   and name HE% )
   (  segid "    " and resid 43   and name HD% )
 OR {    3}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 49   and name HE22))
 OR {    3}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 57   and name HE22))
 OR {    3}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 43   and name HD% )
 OR {    3}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 49   and name HE22))
 OR {    3}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 12   and name HE21))
 OR {    3}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 12   and name HE21))
 ASSI {    4}
   (  segid "    " and resid 83   and name HE% )
   (  segid "    " and resid 81   and name HD% )
      2.300     0.700     0.700 peak     4 spectrum    1 weight  0.10000E+01 volume  0.11383E-02 ppm1      2.006 ppm2      7.072 CV     1
 OR {    4}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 81   and name HD% )
 OR {    4}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 73   and name HD2 ))
 OR {    4}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 73   and name HD2 ))
 OR {    4}
   (  segid "    " and resid 83   and name HE% )
   (  segid "    " and resid 65   and name HE% )
 OR {    4}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 67   and name HD2 ))
 OR {    4}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 65   and name HE% )
 OR {    4}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 67   and name HD2 ))
 OR {    4}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 58   and name HD22))
 OR {    4}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 55   and name HD2 ))
 OR {    4}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 58   and name HD22))
 OR {    4}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 50   and name HE  ))
 OR {    4}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 55   and name HD2 ))
 OR {    4}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 43   and name HZ  ))
 OR {    4}
   (  segid "    " and resid 83   and name HE% )
   (  segid "    " and resid 14   and name HD% )
 OR {    4}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 50   and name HE  ))
 OR {    4}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 40   and name H   ))
 OR {    4}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 39   and name HD2 ))
 OR {    4}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 43   and name HZ  ))
 OR {    4}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 14   and name HD% )
 OR {    4}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 32   and name HE22))
 OR {    4}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 40   and name H   ))
 OR {    4}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 15   and name HE  ))
 OR {    4}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 39   and name HD2 ))
 OR {    4}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 32   and name HE22))
 OR {    4}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 15   and name HE  ))
 ASSI {    5}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 85   and name HE  ))
      3.900     1.900     1.900 peak     5 spectrum    1 weight  0.10000E+01 volume  0.19212E-02 ppm1      2.011 ppm2      7.149 CV     1
 OR {    5}
   (  segid "    " and resid 83   and name HE% )
   (  segid "    " and resid 81   and name HE% )
 OR {    5}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 85   and name HE  ))
 OR {    5}
   (  segid "    " and resid 83   and name HE% )
   (  segid "    " and resid 81   and name HD% )
 OR {    5}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 81   and name HE% )
 OR {    5}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 81   and name HD% )
 OR {    5}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 73   and name HD2 ))
 OR {    5}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 70   and name HE  ))
 OR {    5}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 73   and name HD2 ))
 OR {    5}
   (  segid "    " and resid 83   and name HE% )
   (  segid "    " and resid 65   and name HD% )
 OR {    5}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 70   and name HE  ))
 OR {    5}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 65   and name HD% )
 OR {    5}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 58   and name HD22))
 OR {    5}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 55   and name HD2 ))
 OR {    5}
   (  segid "    " and resid 83   and name HE% )
   (  segid "    " and resid 43   and name HE% )
 OR {    5}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 58   and name HD22))
 OR {    5}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 50   and name HE  ))
 OR {    5}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 43   and name HE% )
 OR {    5}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 55   and name HD2 ))
 OR {    5}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 50   and name HE  ))
 OR {    5}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 39   and name HD2 ))
 OR {    5}
   (  segid "    " and resid 83   and name HE% )
   (  segid "    " and resid 1    and name HD% )
 OR {    5}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 39   and name HD2 ))
 OR {    5}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 1    and name HD% )
 OR {    5}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 26   and name H   ))
 OR {    5}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 26   and name H   ))
 ASSI {    6}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 86   and name H   ))
      4.600     2.600     1.400 peak     6 spectrum    1 weight  0.10000E+01 volume  0.14770E-02 ppm1      2.013 ppm2      8.238 CV     1
 OR {    6}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 86   and name H   ))
 OR {    6}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 81   and name H   ))
 OR {    6}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 80   and name H   ))
 OR {    6}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 78   and name H   ))
 OR {    6}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 81   and name H   ))
 OR {    6}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 76   and name H   ))
 OR {    6}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 80   and name H   ))
 OR {    6}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 78   and name H   ))
 OR {    6}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 74   and name H   ))
 OR {    6}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 73   and name H   ))
 OR {    6}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 76   and name H   ))
 OR {    6}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 74   and name H   ))
 OR {    6}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 73   and name H   ))
 OR {    6}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 58   and name H   ))
 OR {    6}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 58   and name H   ))
 OR {    6}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 9    and name H   ))
 OR {    6}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 8    and name H   ))
 OR {    6}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 7    and name H   ))
 OR {    6}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 9    and name H   ))
 OR {    6}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 8    and name H   ))
 OR {    6}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 3    and name H   ))
 OR {    6}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 7    and name H   ))
 OR {    6}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 3    and name H   ))
 ASSI {    7}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 88   and name H   ))
      4.200     2.200     1.800 peak     7 spectrum    1 weight  0.10000E+01 volume  0.10272E-02 ppm1      2.005 ppm2      7.949 CV     1
 OR {    7}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 83   and name H   ))
 OR {    7}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 88   and name H   ))
 OR {    7}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 83   and name H   ))
 OR {    7}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 75   and name H   ))
 OR {    7}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 72   and name H   ))
 OR {    7}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 75   and name H   ))
 OR {    7}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 71   and name H   ))
 OR {    7}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 72   and name H   ))
 OR {    7}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 68   and name H   ))
 OR {    7}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 71   and name H   ))
 OR {    7}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 67   and name H   ))
 OR {    7}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 66   and name H   ))
 OR {    7}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 68   and name H   ))
 OR {    7}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 67   and name H   ))
 OR {    7}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 66   and name H   ))
 OR {    7}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 39   and name H   ))
 OR {    7}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 35   and name H   ))
 OR {    7}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 32   and name HE21))
 OR {    7}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 39   and name H   ))
 OR {    7}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 35   and name H   ))
 OR {    7}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 32   and name HE21))
 OR {    7}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 21   and name H   ))
 OR {    7}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 21   and name H   ))
 ASSI {    8}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 85   and name H   ))
      3.700     1.700     1.700 peak     8 spectrum    1 weight  0.10000E+01 volume  0.90505E-03 ppm1      2.011 ppm2      8.143 CV     1
 OR {    8}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 81   and name H   ))
 OR {    8}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 85   and name H   ))
 OR {    8}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 79   and name H   ))
 OR {    8}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 78   and name H   ))
 OR {    8}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 81   and name H   ))
 OR {    8}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 79   and name H   ))
 OR {    8}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 78   and name H   ))
 OR {    8}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 65   and name H   ))
 OR {    8}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 65   and name H   ))
 OR {    8}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 7    and name H   ))
 OR {    8}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 7    and name H   ))
 OR {    8}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 19   and name H   ))
 OR {    8}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 19   and name H   ))
 ASSI {    9}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 87   and name H   ))
      4.200     2.200     1.800 peak     9 spectrum    1 weight  0.10000E+01 volume  0.13492E-02 ppm1      1.698 ppm2      8.350 CV     1
 OR {    9}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 82   and name H   ))
 OR {    9}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 74   and name H   ))
 OR {    9}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 69   and name H   ))
 OR {    9}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 55   and name H   ))
 OR {    9}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 49   and name H   ))
 OR {    9}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 43   and name H   ))
 OR {    9}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 6    and name H   ))
 OR {    9}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 2    and name H   ))
 ASSI {   15}
   (( segid "    " and resid 21   and name HE3 ))
   (( segid "    " and resid 21   and name H   ))
      4.800     2.900     1.200 peak    15 spectrum    1 weight  0.10000E+01 volume  0.11438E-02 ppm1      2.923 ppm2      7.892 CV     1
 OR {   15}
   (( segid "    " and resid 21   and name HE2 ))
   (( segid "    " and resid 21   and name H   ))
 OR {   15}
   (( segid "    " and resid 86   and name HE3 ))
   (( segid "    " and resid 88   and name H   ))
 OR {   15}
   (( segid "    " and resid 86   and name HE2 ))
   (( segid "    " and resid 88   and name H   ))
 OR {   15}
   (( segid "    " and resid 16   and name HE3 ))
   (( segid "    " and resid 32   and name HE21))
 OR {   15}
   (( segid "    " and resid 25   and name HE3 ))
   (( segid "    " and resid 21   and name H   ))
 OR {   15}
   (( segid "    " and resid 16   and name HE2 ))
   (( segid "    " and resid 32   and name HE21))
 OR {   15}
   (( segid "    " and resid 25   and name HE2 ))
   (( segid "    " and resid 21   and name H   ))
 OR {   15}
   (( segid "    " and resid 16   and name HE2 ))
   (( segid "    " and resid 21   and name H   ))
 OR {   15}
   (( segid "    " and resid 16   and name HE3 ))
   (( segid "    " and resid 21   and name H   ))
 OR {   15}
   (( segid "    " and resid 71   and name HE2 ))
   (( segid "    " and resid 68   and name H   ))
 OR {   15}
   (( segid "    " and resid 71   and name HE3 ))
   (( segid "    " and resid 68   and name H   ))
 OR {   15}
   (( segid "    " and resid 25   and name HE2 ))
   (( segid "    " and resid 32   and name HE21))
 OR {   15}
   (( segid "    " and resid 71   and name HE2 ))
   (( segid "    " and resid 67   and name H   ))
 OR {   15}
   (( segid "    " and resid 25   and name HE3 ))
   (( segid "    " and resid 32   and name HE21))
 OR {   15}
   (( segid "    " and resid 71   and name HE3 ))
   (( segid "    " and resid 67   and name H   ))
 OR {   15}
   (( segid "    " and resid 21   and name HE3 ))
   (( segid "    " and resid 32   and name HE21))
 OR {   15}
   (( segid "    " and resid 21   and name HE2 ))
   (( segid "    " and resid 32   and name HE21))
 OR {   15}
   (( segid "    " and resid 78   and name HE2 ))
   (( segid "    " and resid 88   and name H   ))
 OR {   15}
   (( segid "    " and resid 78   and name HE3 ))
   (( segid "    " and resid 88   and name H   ))
 OR {   15}
   (( segid "    " and resid 71   and name HE2 ))
   (( segid "    " and resid 63   and name H   ))
 OR {   15}
   (( segid "    " and resid 71   and name HE3 ))
   (( segid "    " and resid 63   and name H   ))
 OR {   15}
   (( segid "    " and resid 78   and name HE3 ))
   (( segid "    " and resid 68   and name H   ))
 OR {   15}
   (( segid "    " and resid 78   and name HE2 ))
   (( segid "    " and resid 68   and name H   ))
 OR {   15}
   (( segid "    " and resid 78   and name HE3 ))
   (( segid "    " and resid 67   and name H   ))
 OR {   15}
   (( segid "    " and resid 78   and name HE2 ))
   (( segid "    " and resid 67   and name H   ))
 OR {   15}
   (( segid "    " and resid 71   and name HE2 ))
   (( segid "    " and resid 88   and name H   ))
 OR {   15}
   (( segid "    " and resid 71   and name HE3 ))
   (( segid "    " and resid 88   and name H   ))
 OR {   15}
   (( segid "    " and resid 78   and name HE3 ))
   (( segid "    " and resid 63   and name H   ))
 OR {   15}
   (( segid "    " and resid 78   and name HE2 ))
   (( segid "    " and resid 63   and name H   ))
 OR {   15}
   (( segid "    " and resid 16   and name HE3 ))
   (( segid "    " and resid 63   and name H   ))
 OR {   15}
   (( segid "    " and resid 16   and name HE2 ))
   (( segid "    " and resid 63   and name H   ))
 OR {   15}
   (( segid "    " and resid 86   and name HE2 ))
   (( segid "    " and resid 68   and name H   ))
 OR {   15}
   (( segid "    " and resid 86   and name HE3 ))
   (( segid "    " and resid 68   and name H   ))
 OR {   15}
   (( segid "    " and resid 25   and name HE2 ))
   (( segid "    " and resid 63   and name H   ))
 OR {   15}
   (( segid "    " and resid 86   and name HE2 ))
   (( segid "    " and resid 67   and name H   ))
 OR {   15}
   (( segid "    " and resid 86   and name HE3 ))
   (( segid "    " and resid 67   and name H   ))
 OR {   15}
   (( segid "    " and resid 25   and name HE3 ))
   (( segid "    " and resid 63   and name H   ))
 OR {   15}
   (( segid "    " and resid 16   and name HE3 ))
   (( segid "    " and resid 67   and name H   ))
 OR {   15}
   (( segid "    " and resid 16   and name HE2 ))
   (( segid "    " and resid 67   and name H   ))
 OR {   15}
   (( segid "    " and resid 21   and name HE3 ))
   (( segid "    " and resid 63   and name H   ))
 OR {   15}
   (( segid "    " and resid 21   and name HE2 ))
   (( segid "    " and resid 63   and name H   ))
 OR {   15}
   (( segid "    " and resid 16   and name HE3 ))
   (( segid "    " and resid 68   and name H   ))
 OR {   15}
   (( segid "    " and resid 16   and name HE2 ))
   (( segid "    " and resid 68   and name H   ))
 OR {   15}
   (( segid "    " and resid 25   and name HE2 ))
   (( segid "    " and resid 67   and name H   ))
 OR {   15}
   (( segid "    " and resid 86   and name HE2 ))
   (( segid "    " and resid 63   and name H   ))
 OR {   15}
   (( segid "    " and resid 86   and name HE3 ))
   (( segid "    " and resid 63   and name H   ))
 OR {   15}
   (( segid "    " and resid 25   and name HE3 ))
   (( segid "    " and resid 67   and name H   ))
 OR {   15}
   (( segid "    " and resid 25   and name HE2 ))
   (( segid "    " and resid 68   and name H   ))
 OR {   15}
   (( segid "    " and resid 71   and name HE3 ))
   (( segid "    " and resid 32   and name HE21))
 OR {   15}
   (( segid "    " and resid 71   and name HE2 ))
   (( segid "    " and resid 32   and name HE21))
 OR {   15}
   (( segid "    " and resid 25   and name HE3 ))
   (( segid "    " and resid 68   and name H   ))
 OR {   15}
   (( segid "    " and resid 21   and name HE3 ))
   (( segid "    " and resid 67   and name H   ))
 OR {   15}
   (( segid "    " and resid 21   and name HE2 ))
   (( segid "    " and resid 67   and name H   ))
 OR {   15}
   (( segid "    " and resid 21   and name HE3 ))
   (( segid "    " and resid 68   and name H   ))
 OR {   15}
   (( segid "    " and resid 21   and name HE2 ))
   (( segid "    " and resid 68   and name H   ))
 OR {   15}
   (( segid "    " and resid 71   and name HE2 ))
   (( segid "    " and resid 21   and name H   ))
 OR {   15}
   (( segid "    " and resid 71   and name HE3 ))
   (( segid "    " and resid 21   and name H   ))
 OR {   15}
   (( segid "    " and resid 78   and name HE3 ))
   (( segid "    " and resid 32   and name HE21))
 OR {   15}
   (( segid "    " and resid 78   and name HE2 ))
   (( segid "    " and resid 32   and name HE21))
 OR {   15}
   (( segid "    " and resid 78   and name HE3 ))
   (( segid "    " and resid 21   and name H   ))
 OR {   15}
   (( segid "    " and resid 78   and name HE2 ))
   (( segid "    " and resid 21   and name H   ))
 OR {   15}
   (( segid "    " and resid 86   and name HE2 ))
   (( segid "    " and resid 32   and name HE21))
 OR {   15}
   (( segid "    " and resid 86   and name HE3 ))
   (( segid "    " and resid 32   and name HE21))
 OR {   15}
   (( segid "    " and resid 16   and name HE3 ))
   (( segid "    " and resid 88   and name H   ))
 OR {   15}
   (( segid "    " and resid 16   and name HE2 ))
   (( segid "    " and resid 88   and name H   ))
 OR {   15}
   (( segid "    " and resid 25   and name HE2 ))
   (( segid "    " and resid 88   and name H   ))
 OR {   15}
   (( segid "    " and resid 25   and name HE3 ))
   (( segid "    " and resid 88   and name H   ))
 OR {   15}
   (( segid "    " and resid 86   and name HE2 ))
   (( segid "    " and resid 21   and name H   ))
 OR {   15}
   (( segid "    " and resid 86   and name HE3 ))
   (( segid "    " and resid 21   and name H   ))
 OR {   15}
   (( segid "    " and resid 21   and name HE3 ))
   (( segid "    " and resid 88   and name H   ))
 OR {   15}
   (( segid "    " and resid 21   and name HE2 ))
   (( segid "    " and resid 88   and name H   ))
 ASSI {   16}
   (( segid "    " and resid 25   and name HE3 ))
   (( segid "    " and resid 25   and name H   ))
      4.200     2.200     1.800 peak    16 spectrum    1 weight  0.10000E+01 volume  0.12382E-02 ppm1      2.914 ppm2      7.655 CV     1
 OR {   16}
   (( segid "    " and resid 25   and name HE2 ))
   (( segid "    " and resid 25   and name H   ))
 OR {   16}
   (( segid "    " and resid 16   and name HE3 ))
   (( segid "    " and resid 25   and name H   ))
 OR {   16}
   (( segid "    " and resid 16   and name HE2 ))
   (( segid "    " and resid 25   and name H   ))
 OR {   16}
   (( segid "    " and resid 21   and name HE3 ))
   (( segid "    " and resid 25   and name H   ))
 OR {   16}
   (( segid "    " and resid 21   and name HE2 ))
   (( segid "    " and resid 25   and name H   ))
 OR {   16}
   (( segid "    " and resid 16   and name HE3 ))
   (( segid "    " and resid 41   and name HE21))
 OR {   16}
   (( segid "    " and resid 16   and name HE2 ))
   (( segid "    " and resid 41   and name HE21))
 OR {   16}
   (( segid "    " and resid 25   and name HE2 ))
   (( segid "    " and resid 41   and name HE21))
 OR {   16}
   (( segid "    " and resid 25   and name HE3 ))
   (( segid "    " and resid 41   and name HE21))
 OR {   16}
   (( segid "    " and resid 71   and name HE2 ))
   (( segid "    " and resid 62   and name H   ))
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   (( segid "    " and resid 71   and name HE3 ))
   (( segid "    " and resid 62   and name H   ))
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   (( segid "    " and resid 21   and name HE3 ))
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   (( segid "    " and resid 21   and name HE2 ))
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   (( segid "    " and resid 78   and name HE3 ))
   (( segid "    " and resid 62   and name H   ))
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   (( segid "    " and resid 78   and name HE2 ))
   (( segid "    " and resid 62   and name H   ))
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   (( segid "    " and resid 16   and name HE3 ))
   (( segid "    " and resid 62   and name H   ))
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   (( segid "    " and resid 16   and name HE2 ))
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   (( segid "    " and resid 25   and name HE2 ))
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   (( segid "    " and resid 25   and name HE3 ))
   (( segid "    " and resid 62   and name H   ))
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   (( segid "    " and resid 71   and name HE2 ))
   (( segid "    " and resid 41   and name HE21))
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   (( segid "    " and resid 71   and name HE3 ))
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   (( segid "    " and resid 21   and name HE3 ))
   (( segid "    " and resid 62   and name H   ))
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   (( segid "    " and resid 21   and name HE2 ))
   (( segid "    " and resid 62   and name H   ))
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   (( segid "    " and resid 86   and name HE2 ))
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   (( segid "    " and resid 86   and name HE3 ))
   (( segid "    " and resid 62   and name H   ))
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   (( segid "    " and resid 78   and name HE3 ))
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   (( segid "    " and resid 78   and name HE2 ))
   (( segid "    " and resid 41   and name HE21))
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   (( segid "    " and resid 71   and name HE2 ))
   (( segid "    " and resid 25   and name H   ))
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   (( segid "    " and resid 71   and name HE3 ))
   (( segid "    " and resid 25   and name H   ))
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   (( segid "    " and resid 86   and name HE2 ))
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   (( segid "    " and resid 86   and name HE3 ))
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   (( segid "    " and resid 78   and name HE3 ))
   (( segid "    " and resid 25   and name H   ))
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   (( segid "    " and resid 78   and name HE2 ))
   (( segid "    " and resid 25   and name H   ))
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   (( segid "    " and resid 86   and name HE2 ))
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   (( segid "    " and resid 86   and name HE3 ))
   (( segid "    " and resid 25   and name H   ))
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      1.500     0.300     0.700 peak    22 spectrum    1 weight  0.10000E+01 volume  0.84365E-01 ppm1      1.600 ppm2      2.918 CV     1
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   (( segid "    " and resid 86   and name HD3 ))
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   (( segid "    " and resid 25   and name HD2 ))
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   (( segid "    " and resid 71   and name HD2 ))
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   (( segid "    " and resid 21   and name HD3 ))
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   (( segid "    " and resid 21   and name HD2 ))
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   (( segid "    " and resid 71   and name HD3 ))
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   (( segid "    " and resid 86   and name HD3 ))
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   (( segid "    " and resid 86   and name HD2 ))
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   (( segid "    " and resid 78   and name HD3 ))
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   (( segid "    " and resid 78   and name HD2 ))
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   (( segid "    " and resid 78   and name HD3 ))
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   (( segid "    " and resid 86   and name HD2 ))
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   (( segid "    " and resid 25   and name HD2 ))
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   (( segid "    " and resid 71   and name HD2 ))
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   (( segid "    " and resid 71   and name HD3 ))
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   (( segid "    " and resid 16   and name HD2 ))
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   (( segid "    " and resid 21   and name HD3 ))
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   (( segid "    " and resid 21   and name HD2 ))
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   (( segid "    " and resid 78   and name HD3 ))
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   (( segid "    " and resid 16   and name HD2 ))
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   (( segid "    " and resid 78   and name HD2 ))
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   (( segid "    " and resid 16   and name HD2 ))
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   (( segid "    " and resid 21   and name HD2 ))
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   (( segid "    " and resid 25   and name HD2 ))
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   (( segid "    " and resid 25   and name HD2 ))
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   (( segid "    " and resid 25   and name HD2 ))
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   (( segid "    " and resid 21   and name HD3 ))
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   (( segid "    " and resid 21   and name HD2 ))
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   (( segid "    " and resid 25   and name HD2 ))
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   (( segid "    " and resid 21   and name HD3 ))
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   (( segid "    " and resid 21   and name HD2 ))
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   (( segid "    " and resid 16   and name HD2 ))
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   (( segid "    " and resid 21   and name HD2 ))
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   (( segid "    " and resid 21   and name HD3 ))
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   (( segid "    " and resid 21   and name HD3 ))
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   (( segid "    " and resid 16   and name HD2 ))
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   (( segid "    " and resid 16   and name HD2 ))
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   (( segid "    " and resid 86   and name HD3 ))
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   (( segid "    " and resid 86   and name HD2 ))
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   (( segid "    " and resid 16   and name HD2 ))
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   (( segid "    " and resid 78   and name HD2 ))
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   (( segid "    " and resid 25   and name HD2 ))
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   (( segid "    " and resid 78   and name HD2 ))
   (( segid "    " and resid 71   and name HE3 ))
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   (( segid "    " and resid 78   and name HD3 ))
   (( segid "    " and resid 71   and name HE2 ))
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   (( segid "    " and resid 78   and name HD3 ))
   (( segid "    " and resid 71   and name HE3 ))
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   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 78   and name HE3 ))
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   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 78   and name HE2 ))
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   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 78   and name HE3 ))
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   (( segid "    " and resid 86   and name HD3 ))
   (( segid "    " and resid 78   and name HE2 ))
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   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 78   and name HE2 ))
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   (( segid "    " and resid 86   and name HD2 ))
   (( segid "    " and resid 78   and name HE2 ))
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   (( segid "    " and resid 86   and name HD3 ))
   (( segid "    " and resid 78   and name HE3 ))
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   (( segid "    " and resid 86   and name HD2 ))
   (( segid "    " and resid 78   and name HE3 ))
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   (( segid "    " and resid 25   and name HD2 ))
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   (( segid "    " and resid 78   and name HD3 ))
   (( segid "    " and resid 86   and name HE2 ))
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   (( segid "    " and resid 78   and name HD3 ))
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   (( segid "    " and resid 78   and name HD2 ))
   (( segid "    " and resid 86   and name HE2 ))
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   (( segid "    " and resid 78   and name HD2 ))
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   (( segid "    " and resid 21   and name HD2 ))
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   (( segid "    " and resid 21   and name HD3 ))
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   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 81   and name HB3 ))
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   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 81   and name HB3 ))
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   (( segid "    " and resid 21   and name HD2 ))
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   (( segid "    " and resid 21   and name HD3 ))
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   (( segid "    " and resid 86   and name HD3 ))
   (( segid "    " and resid 71   and name HE2 ))
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   (( segid "    " and resid 86   and name HD3 ))
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   (( segid "    " and resid 86   and name HD2 ))
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   (( segid "    " and resid 86   and name HD2 ))
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   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 86   and name HE2 ))
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   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 86   and name HE3 ))
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   (( segid "    " and resid 71   and name HD2 ))
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   (( segid "    " and resid 71   and name HD2 ))
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   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 9    and name HB3 ))
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   (( segid "    " and resid 71   and name HD3 ))
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   (( segid "    " and resid 71   and name HD2 ))
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   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 38   and name HB2 ))
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   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 16   and name HE3 ))
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   (( segid "    " and resid 16   and name HD2 ))
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   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 71   and name HE3 ))
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   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 16   and name HE3 ))
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   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 16   and name HE2 ))
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   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 16   and name HE2 ))
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   (( segid "    " and resid 78   and name HD2 ))
   (( segid "    " and resid 9    and name HB3 ))
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   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 25   and name HE2 ))
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   (( segid "    " and resid 78   and name HD3 ))
   (( segid "    " and resid 9    and name HB3 ))
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   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 25   and name HE2 ))
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   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 25   and name HE3 ))
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   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 25   and name HE3 ))
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   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 71   and name HE2 ))
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   (( segid "    " and resid 78   and name HD2 ))
   (( segid "    " and resid 38   and name HB2 ))
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   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 71   and name HE3 ))
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   (( segid "    " and resid 78   and name HD3 ))
   (( segid "    " and resid 38   and name HB2 ))
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   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 71   and name HE2 ))
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   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 71   and name HE3 ))
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   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 21   and name HE3 ))
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   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 21   and name HE3 ))
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   (( segid "    " and resid 21   and name HD3 ))
   (( segid "    " and resid 71   and name HE2 ))
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   (( segid "    " and resid 21   and name HD3 ))
   (( segid "    " and resid 71   and name HE3 ))
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   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 21   and name HE2 ))
 OR {   22}
   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 21   and name HE2 ))
 OR {   22}
   (( segid "    " and resid 78   and name HD2 ))
   (( segid "    " and resid 16   and name HE3 ))
 OR {   22}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 78   and name HE3 ))
 OR {   22}
   (( segid "    " and resid 78   and name HD2 ))
   (( segid "    " and resid 16   and name HE2 ))
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   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 78   and name HE2 ))
 OR {   22}
   (( segid "    " and resid 78   and name HD3 ))
   (( segid "    " and resid 16   and name HE3 ))
 OR {   22}
   (( segid "    " and resid 78   and name HD3 ))
   (( segid "    " and resid 16   and name HE2 ))
 OR {   22}
   (( segid "    " and resid 78   and name HD2 ))
   (( segid "    " and resid 25   and name HE2 ))
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   (( segid "    " and resid 78   and name HD3 ))
   (( segid "    " and resid 25   and name HE2 ))
 OR {   22}
   (( segid "    " and resid 78   and name HD2 ))
   (( segid "    " and resid 25   and name HE3 ))
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   (( segid "    " and resid 78   and name HD3 ))
   (( segid "    " and resid 25   and name HE3 ))
 OR {   22}
   (( segid "    " and resid 86   and name HD3 ))
   (( segid "    " and resid 9    and name HB3 ))
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   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 81   and name HB3 ))
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   (( segid "    " and resid 86   and name HD2 ))
   (( segid "    " and resid 9    and name HB3 ))
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   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 78   and name HE3 ))
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   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 78   and name HE2 ))
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   (( segid "    " and resid 86   and name HD3 ))
   (( segid "    " and resid 38   and name HB2 ))
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   (( segid "    " and resid 86   and name HD2 ))
   (( segid "    " and resid 38   and name HB2 ))
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   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 81   and name HB3 ))
 OR {   22}
   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 78   and name HE3 ))
 OR {   22}
   (( segid "    " and resid 78   and name HD2 ))
   (( segid "    " and resid 21   and name HE3 ))
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   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 78   and name HE2 ))
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   (( segid "    " and resid 21   and name HD3 ))
   (( segid "    " and resid 78   and name HE3 ))
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   (( segid "    " and resid 78   and name HD2 ))
   (( segid "    " and resid 21   and name HE2 ))
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   (( segid "    " and resid 78   and name HD3 ))
   (( segid "    " and resid 21   and name HE3 ))
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   (( segid "    " and resid 21   and name HD3 ))
   (( segid "    " and resid 78   and name HE2 ))
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   (( segid "    " and resid 78   and name HD3 ))
   (( segid "    " and resid 21   and name HE2 ))
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   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 81   and name HB3 ))
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   (( segid "    " and resid 21   and name HD3 ))
   (( segid "    " and resid 81   and name HB3 ))
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   (( segid "    " and resid 86   and name HD3 ))
   (( segid "    " and resid 16   and name HE3 ))
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   (( segid "    " and resid 86   and name HD3 ))
   (( segid "    " and resid 16   and name HE2 ))
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   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 86   and name HE2 ))
 OR {   22}
   (( segid "    " and resid 86   and name HD2 ))
   (( segid "    " and resid 16   and name HE3 ))
 OR {   22}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 86   and name HE3 ))
 OR {   22}
   (( segid "    " and resid 86   and name HD2 ))
   (( segid "    " and resid 16   and name HE2 ))
 OR {   22}
   (( segid "    " and resid 86   and name HD3 ))
   (( segid "    " and resid 25   and name HE2 ))
 OR {   22}
   (( segid "    " and resid 86   and name HD2 ))
   (( segid "    " and resid 25   and name HE2 ))
 OR {   22}
   (( segid "    " and resid 86   and name HD3 ))
   (( segid "    " and resid 25   and name HE3 ))
 OR {   22}
   (( segid "    " and resid 86   and name HD2 ))
   (( segid "    " and resid 25   and name HE3 ))
 OR {   22}
   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 86   and name HE2 ))
 OR {   22}
   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 86   and name HE3 ))
 OR {   22}
   (( segid "    " and resid 86   and name HD3 ))
   (( segid "    " and resid 21   and name HE3 ))
 OR {   22}
   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 86   and name HE2 ))
 OR {   22}
   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 86   and name HE3 ))
 OR {   22}
   (( segid "    " and resid 86   and name HD2 ))
   (( segid "    " and resid 21   and name HE3 ))
 OR {   22}
   (( segid "    " and resid 86   and name HD3 ))
   (( segid "    " and resid 21   and name HE2 ))
 OR {   22}
   (( segid "    " and resid 21   and name HD3 ))
   (( segid "    " and resid 86   and name HE2 ))
 OR {   22}
   (( segid "    " and resid 21   and name HD3 ))
   (( segid "    " and resid 86   and name HE3 ))
 OR {   22}
   (( segid "    " and resid 86   and name HD2 ))
   (( segid "    " and resid 21   and name HE2 ))
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   (( segid "    " and resid 78   and name HD2 ))
   (( segid "    " and resid 79   and name H   ))
      4.100     2.200     1.900 peak    24 spectrum    1 weight  0.10000E+01 volume  0.15436E-02 ppm1      1.601 ppm2      8.083 CV     1
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   (( segid "    " and resid 78   and name HD3 ))
   (( segid "    " and resid 79   and name H   ))
 OR {   24}
   (( segid "    " and resid 86   and name HD3 ))
   (( segid "    " and resid 85   and name H   ))
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   (( segid "    " and resid 86   and name HD2 ))
   (( segid "    " and resid 85   and name H   ))
 OR {   24}
   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 70   and name H   ))
 OR {   24}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 70   and name H   ))
 OR {   24}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 19   and name H   ))
 OR {   24}
   (( segid "    " and resid 86   and name HD3 ))
   (( segid "    " and resid 84   and name H   ))
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   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 19   and name H   ))
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   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 19   and name H   ))
 OR {   24}
   (( segid "    " and resid 86   and name HD2 ))
   (( segid "    " and resid 84   and name H   ))
 OR {   24}
   (( segid "    " and resid 21   and name HD3 ))
   (( segid "    " and resid 19   and name H   ))
 OR {   24}
   (( segid "    " and resid 78   and name HD3 ))
   (( segid "    " and resid 84   and name H   ))
 OR {   24}
   (( segid "    " and resid 78   and name HD2 ))
   (( segid "    " and resid 84   and name H   ))
 OR {   24}
   (( segid "    " and resid 78   and name HD3 ))
   (( segid "    " and resid 85   and name H   ))
 OR {   24}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 66   and name H   ))
 OR {   24}
   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 66   and name H   ))
 OR {   24}
   (( segid "    " and resid 78   and name HD2 ))
   (( segid "    " and resid 85   and name H   ))
 OR {   24}
   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 79   and name H   ))
 OR {   24}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 79   and name H   ))
 OR {   24}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 65   and name H   ))
 OR {   24}
   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 65   and name H   ))
 OR {   24}
   (( segid "    " and resid 86   and name HD3 ))
   (( segid "    " and resid 79   and name H   ))
 OR {   24}
   (( segid "    " and resid 86   and name HD2 ))
   (( segid "    " and resid 79   and name H   ))
 OR {   24}
   (( segid "    " and resid 78   and name HD2 ))
   (( segid "    " and resid 70   and name H   ))
 OR {   24}
   (( segid "    " and resid 78   and name HD3 ))
   (( segid "    " and resid 70   and name H   ))
 OR {   24}
   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 84   and name H   ))
 OR {   24}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 84   and name H   ))
 OR {   24}
   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 85   and name H   ))
 OR {   24}
   (( segid "    " and resid 78   and name HD2 ))
   (( segid "    " and resid 66   and name H   ))
 OR {   24}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 85   and name H   ))
 OR {   24}
   (( segid "    " and resid 78   and name HD3 ))
   (( segid "    " and resid 66   and name H   ))
 OR {   24}
   (( segid "    " and resid 78   and name HD2 ))
   (( segid "    " and resid 65   and name H   ))
 OR {   24}
   (( segid "    " and resid 78   and name HD3 ))
   (( segid "    " and resid 65   and name H   ))
 OR {   24}
   (( segid "    " and resid 86   and name HD3 ))
   (( segid "    " and resid 70   and name H   ))
 OR {   24}
   (( segid "    " and resid 86   and name HD2 ))
   (( segid "    " and resid 70   and name H   ))
 OR {   24}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 65   and name H   ))
 OR {   24}
   (( segid "    " and resid 86   and name HD3 ))
   (( segid "    " and resid 66   and name H   ))
 OR {   24}
   (( segid "    " and resid 86   and name HD2 ))
   (( segid "    " and resid 66   and name H   ))
 OR {   24}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 66   and name H   ))
 OR {   24}
   (( segid "    " and resid 86   and name HD3 ))
   (( segid "    " and resid 65   and name H   ))
 OR {   24}
   (( segid "    " and resid 86   and name HD2 ))
   (( segid "    " and resid 65   and name H   ))
 OR {   24}
   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 65   and name H   ))
 OR {   24}
   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 66   and name H   ))
 OR {   24}
   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 65   and name H   ))
 OR {   24}
   (( segid "    " and resid 21   and name HD3 ))
   (( segid "    " and resid 65   and name H   ))
 OR {   24}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 70   and name H   ))
 OR {   24}
   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 66   and name H   ))
 OR {   24}
   (( segid "    " and resid 21   and name HD3 ))
   (( segid "    " and resid 66   and name H   ))
 OR {   24}
   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 70   and name H   ))
 OR {   24}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 19   and name H   ))
 OR {   24}
   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 19   and name H   ))
 OR {   24}
   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 70   and name H   ))
 OR {   24}
   (( segid "    " and resid 21   and name HD3 ))
   (( segid "    " and resid 70   and name H   ))
 OR {   24}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 79   and name H   ))
 OR {   24}
   (( segid "    " and resid 78   and name HD2 ))
   (( segid "    " and resid 19   and name H   ))
 OR {   24}
   (( segid "    " and resid 78   and name HD3 ))
   (( segid "    " and resid 19   and name H   ))
 OR {   24}
   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 79   and name H   ))
 OR {   24}
   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 79   and name H   ))
 OR {   24}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 84   and name H   ))
 OR {   24}
   (( segid "    " and resid 21   and name HD3 ))
   (( segid "    " and resid 79   and name H   ))
 OR {   24}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 85   and name H   ))
 OR {   24}
   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 84   and name H   ))
 OR {   24}
   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 85   and name H   ))
 OR {   24}
   (( segid "    " and resid 86   and name HD3 ))
   (( segid "    " and resid 19   and name H   ))
 OR {   24}
   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 84   and name H   ))
 OR {   24}
   (( segid "    " and resid 86   and name HD2 ))
   (( segid "    " and resid 19   and name H   ))
 OR {   24}
   (( segid "    " and resid 21   and name HD3 ))
   (( segid "    " and resid 84   and name H   ))
 OR {   24}
   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 85   and name H   ))
 OR {   24}
   (( segid "    " and resid 21   and name HD3 ))
   (( segid "    " and resid 85   and name H   ))
 ASSI {   27}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 71   and name HB2 ))
      1.900     0.500     0.500 peak    27 spectrum    1 weight  0.10000E+01 volume  0.21866E-01 ppm1      1.328 ppm2      1.712 CV     1
 OR {   27}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 78   and name HB3 ))
 OR {   27}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 86   and name HB2 ))
 OR {   27}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 86   and name HB3 ))
 OR {   27}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 71   and name HB3 ))
 OR {   27}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 71   and name HB2 ))
 OR {   27}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 71   and name HB3 ))
 OR {   27}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 78   and name HB2 ))
 OR {   27}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 70   and name HB3 ))
 OR {   27}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 77   and name HB2 ))
 OR {   27}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 70   and name HB3 ))
 OR {   27}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 70   and name HB2 ))
 OR {   27}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 85   and name HB2 ))
 OR {   27}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 70   and name HB2 ))
 OR {   27}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 85   and name HB3 ))
 OR {   27}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 68   and name HG3 ))
 OR {   27}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 68   and name HG3 ))
 OR {   27}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 68   and name HB3 ))
 OR {   27}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 68   and name HB3 ))
 OR {   27}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 77   and name HB2 ))
 OR {   27}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 77   and name HB2 ))
 OR {   27}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 85   and name HB3 ))
 OR {   27}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 78   and name HB3 ))
 OR {   27}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 78   and name HB3 ))
 OR {   27}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 85   and name HB2 ))
 OR {   27}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 78   and name HB2 ))
 OR {   27}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 71   and name HB3 ))
 OR {   27}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 78   and name HB2 ))
 OR {   27}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 71   and name HB2 ))
 OR {   27}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 86   and name HB2 ))
 OR {   27}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 86   and name HB3 ))
 OR {   27}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 78   and name HB2 ))
 OR {   27}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 70   and name HB3 ))
 OR {   27}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 70   and name HB2 ))
 OR {   27}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 78   and name HB3 ))
 OR {   27}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 77   and name HB2 ))
 OR {   27}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 68   and name HG3 ))
 OR {   27}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 68   and name HB3 ))
 OR {   27}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 85   and name HB3 ))
 OR {   27}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 85   and name HB3 ))
 OR {   27}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 85   and name HB2 ))
 OR {   27}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 85   and name HB2 ))
 OR {   27}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 86   and name HB2 ))
 OR {   27}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 86   and name HB3 ))
 OR {   27}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 86   and name HB2 ))
 OR {   27}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 86   and name HB3 ))
 OR {   27}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 71   and name HB3 ))
 OR {   27}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 71   and name HB2 ))
 OR {   27}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 70   and name HB3 ))
 OR {   27}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 56   and name HG3 ))
 OR {   27}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 70   and name HB2 ))
 OR {   27}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 56   and name HG3 ))
 OR {   27}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 68   and name HG3 ))
 OR {   27}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {   27}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {   27}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 68   and name HB3 ))
 OR {   27}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 56   and name HG3 ))
 OR {   27}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 33   and name HB3 ))
 OR {   27}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 33   and name HB3 ))
 OR {   27}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {   27}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 29   and name HB  ))
 OR {   27}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 29   and name HB  ))
 OR {   27}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 16   and name HB2 ))
 OR {   27}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 16   and name HB2 ))
 OR {   27}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 17   and name HB3 ))
 OR {   27}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 17   and name HB3 ))
 OR {   27}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 18   and name HG  ))
 OR {   27}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 18   and name HG  ))
 OR {   27}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 25   and name HD3 ))
 OR {   27}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 25   and name HD3 ))
 OR {   27}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 24   and name HB3 ))
 OR {   27}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 24   and name HB3 ))
 OR {   27}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 24   and name HG2 ))
 OR {   27}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 24   and name HG3 ))
 OR {   27}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 24   and name HG2 ))
 OR {   27}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 24   and name HG3 ))
 OR {   27}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 33   and name HB3 ))
 OR {   27}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 56   and name HG3 ))
 OR {   27}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 21   and name HB3 ))
 OR {   27}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 21   and name HB2 ))
 OR {   27}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 21   and name HB3 ))
 OR {   27}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 21   and name HB2 ))
 OR {   27}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 29   and name HB  ))
 OR {   27}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {   27}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 16   and name HB2 ))
 OR {   27}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 17   and name HB3 ))
 OR {   27}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 18   and name HG  ))
 OR {   27}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 25   and name HD3 ))
 OR {   27}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 24   and name HB3 ))
 OR {   27}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 24   and name HG2 ))
 OR {   27}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 24   and name HG3 ))
 OR {   27}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 21   and name HB3 ))
 OR {   27}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 21   and name HB2 ))
 OR {   27}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 33   and name HB3 ))
 OR {   27}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 29   and name HB  ))
 OR {   27}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 16   and name HB2 ))
 OR {   27}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 17   and name HB3 ))
 OR {   27}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 18   and name HG  ))
 OR {   27}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 25   and name HD3 ))
 OR {   27}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 24   and name HB3 ))
 OR {   27}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 24   and name HG2 ))
 OR {   27}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 24   and name HG3 ))
 OR {   27}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 21   and name HB3 ))
 OR {   27}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 21   and name HB2 ))
 ASSI {   29}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 71   and name HB2 ))
      1.700     0.400     0.500 peak    29 spectrum    1 weight  0.10000E+01 volume  0.41877E-01 ppm1      1.325 ppm2      1.602 CV     1
 OR {   29}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {   29}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 78   and name HD3 ))
 OR {   29}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 86   and name HD3 ))
 OR {   29}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 78   and name HD2 ))
 OR {   29}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {   29}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 71   and name HB2 ))
 OR {   29}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {   29}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {   29}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 86   and name HD2 ))
 OR {   29}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 70   and name HG2 ))
 OR {   29}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 70   and name HG2 ))
 OR {   29}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 76   and name HG  ))
 OR {   29}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 84   and name HG  ))
 OR {   29}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 84   and name HB3 ))
 OR {   29}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 76   and name HB2 ))
 OR {   29}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 76   and name HB2 ))
 OR {   29}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 76   and name HB2 ))
 OR {   29}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 76   and name HG  ))
 OR {   29}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 76   and name HG  ))
 OR {   29}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 84   and name HB3 ))
 OR {   29}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 84   and name HG  ))
 OR {   29}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {   29}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {   29}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 78   and name HD2 ))
 OR {   29}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 78   and name HD2 ))
 OR {   29}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 78   and name HD3 ))
 OR {   29}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 71   and name HB2 ))
 OR {   29}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 78   and name HD3 ))
 OR {   29}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 78   and name HD3 ))
 OR {   29}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 70   and name HG2 ))
 OR {   29}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 86   and name HD3 ))
 OR {   29}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 78   and name HD2 ))
 OR {   29}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 86   and name HD2 ))
 OR {   29}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 76   and name HG  ))
 OR {   29}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 76   and name HB2 ))
 OR {   29}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 84   and name HB3 ))
 OR {   29}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 84   and name HG  ))
 OR {   29}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 84   and name HB3 ))
 OR {   29}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 84   and name HG  ))
 OR {   29}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {   29}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {   29}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 86   and name HD3 ))
 OR {   29}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 86   and name HD2 ))
 OR {   29}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 86   and name HD3 ))
 OR {   29}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 86   and name HD2 ))
 OR {   29}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 71   and name HB2 ))
 OR {   29}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 70   and name HG2 ))
 OR {   29}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 45   and name HG  ))
 OR {   29}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 45   and name HG  ))
 OR {   29}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 45   and name HB3 ))
 OR {   29}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 45   and name HB3 ))
 OR {   29}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 33   and name HB3 ))
 OR {   29}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 33   and name HB3 ))
 OR {   29}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 13   and name HG  ))
 OR {   29}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 13   and name HG  ))
 OR {   29}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 31   and name HB2 ))
 OR {   29}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 31   and name HB2 ))
 OR {   29}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 45   and name HG  ))
 OR {   29}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 45   and name HB3 ))
 OR {   29}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {   29}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {   29}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {   29}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {   29}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 3    and name HG  ))
 OR {   29}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 3    and name HG  ))
 OR {   29}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {   29}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {   29}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {   29}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {   29}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {   29}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 33   and name HB3 ))
 OR {   29}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 22   and name HB3 ))
 OR {   29}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {   29}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 22   and name HB3 ))
 OR {   29}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 13   and name HG  ))
 OR {   29}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 21   and name HD2 ))
 OR {   29}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 21   and name HD2 ))
 OR {   29}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 21   and name HD3 ))
 OR {   29}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 31   and name HB2 ))
 OR {   29}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 21   and name HD3 ))
 OR {   29}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {   29}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 45   and name HG  ))
 OR {   29}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {   29}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 45   and name HB3 ))
 OR {   29}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 3    and name HG  ))
 OR {   29}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {   29}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {   29}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {   29}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 22   and name HB3 ))
 OR {   29}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 21   and name HD2 ))
 OR {   29}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 33   and name HB3 ))
 OR {   29}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 21   and name HD3 ))
 OR {   29}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 13   and name HG  ))
 OR {   29}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 31   and name HB2 ))
 OR {   29}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {   29}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {   29}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 3    and name HG  ))
 OR {   29}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {   29}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {   29}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {   29}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 22   and name HB3 ))
 OR {   29}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 21   and name HD2 ))
 OR {   29}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 21   and name HD3 ))
 ASSI {   30}
   (( segid "    " and resid 78   and name HG2 ))
   (  segid "    " and resid 76   and name HD1%)
      3.900     1.900     1.900 peak    30 spectrum    1 weight  0.10000E+01 volume  0.23376E-02 ppm1      1.329 ppm2      0.741 CV     1
 OR {   30}
   (( segid "    " and resid 78   and name HG2 ))
   (  segid "    " and resid 79   and name HD1%)
 OR {   30}
   (( segid "    " and resid 86   and name HG2 ))
   (  segid "    " and resid 84   and name HD1%)
 OR {   30}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {   30}
   (( segid "    " and resid 78   and name HG2 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {   30}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {   30}
   (( segid "    " and resid 71   and name HG3 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {   30}
   (( segid "    " and resid 78   and name HG2 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {   30}
   (( segid "    " and resid 86   and name HG2 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {   30}
   (( segid "    " and resid 71   and name HG3 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {   30}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {   30}
   (( segid "    " and resid 71   and name HG3 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {   30}
   (( segid "    " and resid 78   and name HG2 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {   30}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {   30}
   (( segid "    " and resid 78   and name HG2 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {   30}
   (( segid "    " and resid 71   and name HG3 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {   30}
   (( segid "    " and resid 78   and name HG2 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {   30}
   (( segid "    " and resid 78   and name HG2 ))
   (  segid "    " and resid 84   and name HD1%)
 OR {   30}
   (( segid "    " and resid 86   and name HG2 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {   30}
   (( segid "    " and resid 86   and name HG2 ))
   (  segid "    " and resid 79   and name HD1%)
 OR {   30}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 79   and name HD1%)
 OR {   30}
   (( segid "    " and resid 71   and name HG3 ))
   (  segid "    " and resid 79   and name HD1%)
 OR {   30}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {   30}
   (( segid "    " and resid 71   and name HG3 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {   30}
   (( segid "    " and resid 86   and name HG2 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {   30}
   (( segid "    " and resid 86   and name HG2 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {   30}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {   30}
   (( segid "    " and resid 71   and name HG3 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {   30}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 84   and name HD1%)
 OR {   30}
   (( segid "    " and resid 86   and name HG2 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {   30}
   (( segid "    " and resid 71   and name HG3 ))
   (  segid "    " and resid 84   and name HD1%)
 OR {   30}
   (( segid "    " and resid 86   and name HG2 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {   30}
   (( segid "    " and resid 71   and name HG3 ))
   (  segid "    " and resid 47   and name HD2%)
 OR {   30}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 47   and name HD2%)
 OR {   30}
   (( segid "    " and resid 71   and name HG3 ))
   (  segid "    " and resid 47   and name HD1%)
 OR {   30}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 47   and name HD1%)
 OR {   30}
   (( segid "    " and resid 71   and name HG3 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {   30}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {   30}
   (( segid "    " and resid 71   and name HG3 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {   30}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {   30}
   (( segid "    " and resid 71   and name HG3 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {   30}
   (( segid "    " and resid 71   and name HG3 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {   30}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {   30}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {   30}
   (( segid "    " and resid 78   and name HG2 ))
   (  segid "    " and resid 47   and name HD2%)
 OR {   30}
   (( segid "    " and resid 78   and name HG2 ))
   (  segid "    " and resid 47   and name HD1%)
 OR {   30}
   (( segid "    " and resid 78   and name HG2 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {   30}
   (( segid "    " and resid 71   and name HG3 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {   30}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {   30}
   (( segid "    " and resid 78   and name HG2 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {   30}
   (( segid "    " and resid 71   and name HG3 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {   30}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {   30}
   (( segid "    " and resid 71   and name HG3 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {   30}
   (( segid "    " and resid 71   and name HG3 ))
   (  segid "    " and resid 26   and name HG2%)
 OR {   30}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 26   and name HG2%)
 OR {   30}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {   30}
   (( segid "    " and resid 71   and name HG3 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {   30}
   (( segid "    " and resid 78   and name HG2 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {   30}
   (( segid "    " and resid 71   and name HG3 ))
   (  segid "    " and resid 18   and name HD1%)
 OR {   30}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {   30}
   (( segid "    " and resid 78   and name HG2 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {   30}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 18   and name HD1%)
 OR {   30}
   (( segid "    " and resid 71   and name HG3 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {   30}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {   30}
   (( segid "    " and resid 86   and name HG2 ))
   (  segid "    " and resid 47   and name HD2%)
 OR {   30}
   (( segid "    " and resid 78   and name HG2 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {   30}
   (( segid "    " and resid 86   and name HG2 ))
   (  segid "    " and resid 47   and name HD1%)
 OR {   30}
   (( segid "    " and resid 86   and name HG2 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {   30}
   (( segid "    " and resid 86   and name HG2 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {   30}
   (( segid "    " and resid 78   and name HG2 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {   30}
   (( segid "    " and resid 78   and name HG2 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {   30}
   (( segid "    " and resid 78   and name HG2 ))
   (  segid "    " and resid 26   and name HG2%)
 OR {   30}
   (( segid "    " and resid 78   and name HG2 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {   30}
   (( segid "    " and resid 78   and name HG2 ))
   (  segid "    " and resid 18   and name HD1%)
 OR {   30}
   (( segid "    " and resid 86   and name HG2 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {   30}
   (( segid "    " and resid 86   and name HG2 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {   30}
   (( segid "    " and resid 78   and name HG2 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {   30}
   (( segid "    " and resid 86   and name HG2 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {   30}
   (( segid "    " and resid 86   and name HG2 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {   30}
   (( segid "    " and resid 86   and name HG2 ))
   (  segid "    " and resid 26   and name HG2%)
 OR {   30}
   (( segid "    " and resid 86   and name HG2 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {   30}
   (( segid "    " and resid 86   and name HG2 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {   30}
   (( segid "    " and resid 86   and name HG2 ))
   (  segid "    " and resid 18   and name HD1%)
 OR {   30}
   (( segid "    " and resid 86   and name HG2 ))
   (  segid "    " and resid 22   and name HD1%)
 ASSI {   31}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 71   and name HE2 ))
      2.100     0.600     0.600 peak    31 spectrum    1 weight  0.10000E+01 volume  0.12232E-01 ppm1      1.326 ppm2      2.905 CV     1
 OR {   31}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 86   and name HE3 ))
 OR {   31}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 71   and name HE3 ))
 OR {   31}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 71   and name HE3 ))
 OR {   31}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 71   and name HE2 ))
 OR {   31}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 86   and name HE2 ))
 OR {   31}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 78   and name HE2 ))
 OR {   31}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 78   and name HE3 ))
 OR {   31}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 81   and name HB3 ))
 OR {   31}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 81   and name HB3 ))
 OR {   31}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 71   and name HE2 ))
 OR {   31}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 71   and name HE3 ))
 OR {   31}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 78   and name HE3 ))
 OR {   31}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 78   and name HE2 ))
 OR {   31}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 78   and name HE2 ))
 OR {   31}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 78   and name HE3 ))
 OR {   31}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 78   and name HE3 ))
 OR {   31}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 78   and name HE2 ))
 OR {   31}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 86   and name HE2 ))
 OR {   31}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 86   and name HE3 ))
 OR {   31}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 81   and name HB3 ))
 OR {   31}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 81   and name HB3 ))
 OR {   31}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 71   and name HE2 ))
 OR {   31}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 71   and name HE3 ))
 OR {   31}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 86   and name HE2 ))
 OR {   31}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 86   and name HE3 ))
 OR {   31}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 86   and name HE2 ))
 OR {   31}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 86   and name HE3 ))
 OR {   31}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 55   and name HB2 ))
 OR {   31}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 55   and name HB2 ))
 OR {   31}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 9    and name HB3 ))
 OR {   31}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 9    and name HB3 ))
 OR {   31}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 38   and name HB2 ))
 OR {   31}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 38   and name HB2 ))
 OR {   31}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 55   and name HB2 ))
 OR {   31}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 15   and name HD3 ))
 OR {   31}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 15   and name HD3 ))
 OR {   31}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 16   and name HE3 ))
 OR {   31}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 16   and name HE2 ))
 OR {   31}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 16   and name HE3 ))
 OR {   31}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 16   and name HE2 ))
 OR {   31}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 9    and name HB3 ))
 OR {   31}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 25   and name HE2 ))
 OR {   31}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 25   and name HE2 ))
 OR {   31}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 25   and name HE3 ))
 OR {   31}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 25   and name HE3 ))
 OR {   31}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 38   and name HB2 ))
 OR {   31}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 55   and name HB2 ))
 OR {   31}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 21   and name HE3 ))
 OR {   31}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 21   and name HE3 ))
 OR {   31}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 21   and name HE2 ))
 OR {   31}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 21   and name HE2 ))
 OR {   31}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 15   and name HD3 ))
 OR {   31}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 16   and name HE3 ))
 OR {   31}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 16   and name HE2 ))
 OR {   31}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 25   and name HE2 ))
 OR {   31}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 25   and name HE3 ))
 OR {   31}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 9    and name HB3 ))
 OR {   31}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 38   and name HB2 ))
 OR {   31}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 21   and name HE3 ))
 OR {   31}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 21   and name HE2 ))
 OR {   31}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 15   and name HD3 ))
 OR {   31}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 16   and name HE3 ))
 OR {   31}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 16   and name HE2 ))
 OR {   31}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 25   and name HE2 ))
 OR {   31}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 25   and name HE3 ))
 OR {   31}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 21   and name HE3 ))
 OR {   31}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 21   and name HE2 ))
 ASSI {   32}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 69   and name HA  ))
      3.000     1.200     1.200 peak    32 spectrum    1 weight  0.10000E+01 volume  0.14492E-02 ppm1      1.335 ppm2      3.998 CV     1
 OR {   32}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 74   and name HA2 ))
 OR {   32}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 74   and name HA3 ))
 OR {   32}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 68   and name HA  ))
 OR {   32}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 74   and name HA3 ))
 OR {   32}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 74   and name HA2 ))
 OR {   32}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 74   and name HA2 ))
 OR {   32}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 74   and name HA3 ))
 OR {   32}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 66   and name HA  ))
 OR {   32}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 69   and name HA  ))
 OR {   32}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 69   and name HA  ))
 OR {   32}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 62   and name HB3 ))
 OR {   32}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 62   and name HB2 ))
 OR {   32}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 68   and name HA  ))
 OR {   32}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 68   and name HA  ))
 OR {   32}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 61   and name HA  ))
 OR {   32}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 74   and name HA3 ))
 OR {   32}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 74   and name HA2 ))
 OR {   32}
   (( segid "    " and resid 86   and name HG3 ))
   (( segid "    " and resid 74   and name HA3 ))
 OR {   32}
   (( segid "    " and resid 86   and name HG3 ))
   (( segid "    " and resid 74   and name HA2 ))
 OR {   32}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 66   and name HA  ))
 OR {   32}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 66   and name HA  ))
 OR {   32}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 59   and name HD3 ))
 OR {   32}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 62   and name HB3 ))
 OR {   32}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 62   and name HB2 ))
 OR {   32}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 62   and name HB3 ))
 OR {   32}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 62   and name HB2 ))
 OR {   32}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 69   and name HA  ))
 OR {   32}
   (( segid "    " and resid 86   and name HG3 ))
   (( segid "    " and resid 69   and name HA  ))
 OR {   32}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 48   and name HA  ))
 OR {   32}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 61   and name HA  ))
 OR {   32}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 61   and name HA  ))
 OR {   32}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 68   and name HA  ))
 OR {   32}
   (( segid "    " and resid 86   and name HG3 ))
   (( segid "    " and resid 68   and name HA  ))
 OR {   32}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 66   and name HA  ))
 OR {   32}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 59   and name HD3 ))
 OR {   32}
   (( segid "    " and resid 86   and name HG3 ))
   (( segid "    " and resid 66   and name HA  ))
 OR {   32}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 59   and name HD3 ))
 OR {   32}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 36   and name HA3 ))
 OR {   32}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 48   and name HA  ))
 OR {   32}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 62   and name HB3 ))
 OR {   32}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 48   and name HA  ))
 OR {   32}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 62   and name HB2 ))
 OR {   32}
   (( segid "    " and resid 86   and name HG3 ))
   (( segid "    " and resid 62   and name HB3 ))
 OR {   32}
   (( segid "    " and resid 86   and name HG3 ))
   (( segid "    " and resid 62   and name HB2 ))
 OR {   32}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 61   and name HA  ))
 OR {   32}
   (( segid "    " and resid 86   and name HG3 ))
   (( segid "    " and resid 61   and name HA  ))
 OR {   32}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 59   and name HD3 ))
 OR {   32}
   (( segid "    " and resid 86   and name HG3 ))
   (( segid "    " and resid 59   and name HD3 ))
 OR {   32}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 36   and name HA3 ))
 OR {   32}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 36   and name HA3 ))
 OR {   32}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 22   and name HA  ))
 OR {   32}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 48   and name HA  ))
 OR {   32}
   (( segid "    " and resid 86   and name HG3 ))
   (( segid "    " and resid 48   and name HA  ))
 OR {   32}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 22   and name HA  ))
 OR {   32}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 22   and name HA  ))
 OR {   32}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 36   and name HA3 ))
 OR {   32}
   (( segid "    " and resid 86   and name HG3 ))
   (( segid "    " and resid 36   and name HA3 ))
 OR {   32}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 22   and name HA  ))
 OR {   32}
   (( segid "    " and resid 86   and name HG3 ))
   (( segid "    " and resid 22   and name HA  ))
 ASSI {   33}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 79   and name HA  ))
      2.700     0.900     0.900 peak    33 spectrum    1 weight  0.10000E+01 volume  0.69351E-02 ppm1      1.387 ppm2      4.222 CV     1
 OR {   33}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 78   and name HA  ))
 OR {   33}
   (( segid "    " and resid 86   and name HG3 ))
   (( segid "    " and resid 86   and name HA  ))
 OR {   33}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 86   and name HA  ))
 OR {   33}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 27   and name HA  ))
 OR {   33}
   (( segid "    " and resid 86   and name HG3 ))
   (( segid "    " and resid 85   and name HA  ))
 OR {   33}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 85   and name HA  ))
 OR {   33}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 84   and name HA  ))
 OR {   33}
   (( segid "    " and resid 86   and name HG3 ))
   (( segid "    " and resid 84   and name HA  ))
 OR {   33}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 19   and name HB2 ))
 OR {   33}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 20   and name HA  ))
 OR {   33}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 37   and name HA  ))
 OR {   33}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 84   and name HA  ))
 OR {   33}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 7    and name HA  ))
 OR {   33}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 85   and name HA  ))
 OR {   33}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 72   and name HA  ))
 OR {   33}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 79   and name HA  ))
 OR {   33}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 86   and name HA  ))
 OR {   33}
   (( segid "    " and resid 86   and name HG3 ))
   (( segid "    " and resid 79   and name HA  ))
 OR {   33}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 71   and name HA  ))
 OR {   33}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 11   and name HB  ))
 OR {   33}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 78   and name HA  ))
 OR {   33}
   (( segid "    " and resid 86   and name HG3 ))
   (( segid "    " and resid 78   and name HA  ))
 OR {   33}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 72   and name HA  ))
 OR {   33}
   (( segid "    " and resid 86   and name HG3 ))
   (( segid "    " and resid 72   and name HA  ))
 OR {   33}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 64   and name HA  ))
 OR {   33}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 71   and name HA  ))
 OR {   33}
   (( segid "    " and resid 86   and name HG3 ))
   (( segid "    " and resid 71   and name HA  ))
 OR {   33}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 64   and name HA  ))
 OR {   33}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 64   and name HA  ))
 OR {   33}
   (( segid "    " and resid 86   and name HG3 ))
   (( segid "    " and resid 64   and name HA  ))
 OR {   33}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 71   and name HA  ))
 OR {   33}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 11   and name HB  ))
 OR {   33}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 72   and name HA  ))
 OR {   33}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 7    and name HA  ))
 OR {   33}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 37   and name HA  ))
 OR {   33}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 27   and name HA  ))
 OR {   33}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 78   and name HA  ))
 OR {   33}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 79   and name HA  ))
 OR {   33}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 19   and name HB2 ))
 OR {   33}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 11   and name HB  ))
 OR {   33}
   (( segid "    " and resid 86   and name HG3 ))
   (( segid "    " and resid 11   and name HB  ))
 OR {   33}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 20   and name HA  ))
 OR {   33}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 7    and name HA  ))
 OR {   33}
   (( segid "    " and resid 86   and name HG3 ))
   (( segid "    " and resid 7    and name HA  ))
 OR {   33}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 37   and name HA  ))
 OR {   33}
   (( segid "    " and resid 86   and name HG3 ))
   (( segid "    " and resid 37   and name HA  ))
 OR {   33}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 84   and name HA  ))
 OR {   33}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 85   and name HA  ))
 OR {   33}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 27   and name HA  ))
 OR {   33}
   (( segid "    " and resid 86   and name HG3 ))
   (( segid "    " and resid 27   and name HA  ))
 OR {   33}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 86   and name HA  ))
 OR {   33}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 19   and name HB2 ))
 OR {   33}
   (( segid "    " and resid 86   and name HG3 ))
   (( segid "    " and resid 19   and name HB2 ))
 OR {   33}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 20   and name HA  ))
 OR {   33}
   (( segid "    " and resid 86   and name HG3 ))
   (( segid "    " and resid 20   and name HA  ))
 ASSI {   34}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 71   and name HA  ))
      2.300     0.700     0.700 peak    34 spectrum    1 weight  0.10000E+01 volume  0.74014E-02 ppm1      1.327 ppm2      4.213 CV     1
 OR {   34}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 71   and name HA  ))
 OR {   34}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 86   and name HA  ))
 OR {   34}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 78   and name HA  ))
 OR {   34}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 72   and name HA  ))
 OR {   34}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 79   and name HA  ))
 OR {   34}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 72   and name HA  ))
 OR {   34}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 85   and name HA  ))
 OR {   34}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 84   and name HA  ))
 OR {   34}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 84   and name HA  ))
 OR {   34}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 72   and name HA  ))
 OR {   34}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 65   and name HA  ))
 OR {   34}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 78   and name HA  ))
 OR {   34}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 65   and name HA  ))
 OR {   34}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 85   and name HA  ))
 OR {   34}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 78   and name HA  ))
 OR {   34}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 71   and name HA  ))
 OR {   34}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 79   and name HA  ))
 OR {   34}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 86   and name HA  ))
 OR {   34}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 64   and name HA  ))
 OR {   34}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 79   and name HA  ))
 OR {   34}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 64   and name HA  ))
 OR {   34}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 79   and name HA  ))
 OR {   34}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 78   and name HA  ))
 OR {   34}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 84   and name HA  ))
 OR {   34}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 84   and name HA  ))
 OR {   34}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 65   and name HA  ))
 OR {   34}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 85   and name HA  ))
 OR {   34}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 85   and name HA  ))
 OR {   34}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 72   and name HA  ))
 OR {   34}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 86   and name HA  ))
 OR {   34}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 64   and name HA  ))
 OR {   34}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 86   and name HA  ))
 OR {   34}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 71   and name HA  ))
 OR {   34}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 65   and name HA  ))
 OR {   34}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 11   and name HB  ))
 OR {   34}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 11   and name HB  ))
 OR {   34}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 64   and name HA  ))
 OR {   34}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 7    and name HA  ))
 OR {   34}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 7    and name HA  ))
 OR {   34}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 37   and name HA  ))
 OR {   34}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 37   and name HA  ))
 OR {   34}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 27   and name HA  ))
 OR {   34}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 27   and name HA  ))
 OR {   34}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 11   and name HB  ))
 OR {   34}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 19   and name HB2 ))
 OR {   34}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 19   and name HB2 ))
 OR {   34}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 20   and name HA  ))
 OR {   34}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 20   and name HA  ))
 OR {   34}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 7    and name HA  ))
 OR {   34}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 37   and name HA  ))
 OR {   34}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 27   and name HA  ))
 OR {   34}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 19   and name HB2 ))
 OR {   34}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 11   and name HB  ))
 OR {   34}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 20   and name HA  ))
 OR {   34}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 7    and name HA  ))
 OR {   34}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 37   and name HA  ))
 OR {   34}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 27   and name HA  ))
 OR {   34}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 19   and name HB2 ))
 OR {   34}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 20   and name HA  ))
 ASSI {   35}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 78   and name H   ))
      3.100     1.200     1.200 peak    35 spectrum    1 weight  0.10000E+01 volume  0.32260E-02 ppm1      1.387 ppm2      8.214 CV     1
 OR {   35}
   (( segid "    " and resid 86   and name HG3 ))
   (( segid "    " and resid 86   and name H   ))
 OR {   35}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 86   and name H   ))
 OR {   35}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 80   and name H   ))
 OR {   35}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 81   and name H   ))
 OR {   35}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 76   and name H   ))
 OR {   35}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 3    and name H   ))
 OR {   35}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 81   and name H   ))
 OR {   35}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 73   and name H   ))
 OR {   35}
   (( segid "    " and resid 86   and name HG3 ))
   (( segid "    " and resid 81   and name H   ))
 OR {   35}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 7    and name H   ))
 OR {   35}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 80   and name H   ))
 OR {   35}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 8    and name H   ))
 OR {   35}
   (( segid "    " and resid 86   and name HG3 ))
   (( segid "    " and resid 80   and name H   ))
 OR {   35}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 86   and name H   ))
 OR {   35}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 9    and name H   ))
 OR {   35}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 78   and name H   ))
 OR {   35}
   (( segid "    " and resid 86   and name HG3 ))
   (( segid "    " and resid 78   and name H   ))
 OR {   35}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 76   and name H   ))
 OR {   35}
   (( segid "    " and resid 86   and name HG3 ))
   (( segid "    " and resid 76   and name H   ))
 OR {   35}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 73   and name H   ))
 OR {   35}
   (( segid "    " and resid 86   and name HG3 ))
   (( segid "    " and resid 73   and name H   ))
 OR {   35}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 58   and name H   ))
 OR {   35}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 58   and name H   ))
 OR {   35}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 58   and name H   ))
 OR {   35}
   (( segid "    " and resid 86   and name HG3 ))
   (( segid "    " and resid 58   and name H   ))
 OR {   35}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 9    and name H   ))
 OR {   35}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 73   and name H   ))
 OR {   35}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 8    and name H   ))
 OR {   35}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 7    and name H   ))
 OR {   35}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 76   and name H   ))
 OR {   35}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 3    and name H   ))
 OR {   35}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 78   and name H   ))
 OR {   35}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 80   and name H   ))
 OR {   35}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 9    and name H   ))
 OR {   35}
   (( segid "    " and resid 86   and name HG3 ))
   (( segid "    " and resid 9    and name H   ))
 OR {   35}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 8    and name H   ))
 OR {   35}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 81   and name H   ))
 OR {   35}
   (( segid "    " and resid 86   and name HG3 ))
   (( segid "    " and resid 8    and name H   ))
 OR {   35}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 7    and name H   ))
 OR {   35}
   (( segid "    " and resid 86   and name HG3 ))
   (( segid "    " and resid 7    and name H   ))
 OR {   35}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 3    and name H   ))
 OR {   35}
   (( segid "    " and resid 86   and name HG3 ))
   (( segid "    " and resid 3    and name H   ))
 OR {   35}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 86   and name H   ))
 ASSI {   36}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 78   and name H   ))
      3.000     1.100     1.100 peak    36 spectrum    1 weight  0.10000E+01 volume  0.32925E-02 ppm1      1.321 ppm2      8.213 CV     1
 OR {   36}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 86   and name H   ))
 OR {   36}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 73   and name H   ))
 OR {   36}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 80   and name H   ))
 OR {   36}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 73   and name H   ))
 OR {   36}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 76   and name H   ))
 OR {   36}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 81   and name H   ))
 OR {   36}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 76   and name H   ))
 OR {   36}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 76   and name H   ))
 OR {   36}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 73   and name H   ))
 OR {   36}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 81   and name H   ))
 OR {   36}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 78   and name H   ))
 OR {   36}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 80   and name H   ))
 OR {   36}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 78   and name H   ))
 OR {   36}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 86   and name H   ))
 OR {   36}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 80   and name H   ))
 OR {   36}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 78   and name H   ))
 OR {   36}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 80   and name H   ))
 OR {   36}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 81   and name H   ))
 OR {   36}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 81   and name H   ))
 OR {   36}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 76   and name H   ))
 OR {   36}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 73   and name H   ))
 OR {   36}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 86   and name H   ))
 OR {   36}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 58   and name H   ))
 OR {   36}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 86   and name H   ))
 OR {   36}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 58   and name H   ))
 OR {   36}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 58   and name H   ))
 OR {   36}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 9    and name H   ))
 OR {   36}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 9    and name H   ))
 OR {   36}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 8    and name H   ))
 OR {   36}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 8    and name H   ))
 OR {   36}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 7    and name H   ))
 OR {   36}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 7    and name H   ))
 OR {   36}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 3    and name H   ))
 OR {   36}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 3    and name H   ))
 OR {   36}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 58   and name H   ))
 OR {   36}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 9    and name H   ))
 OR {   36}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 8    and name H   ))
 OR {   36}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 7    and name H   ))
 OR {   36}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 3    and name H   ))
 OR {   36}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 9    and name H   ))
 OR {   36}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 8    and name H   ))
 OR {   36}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 7    and name H   ))
 OR {   36}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 3    and name H   ))
 ASSI {   38}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 86   and name H   ))
      1.900     0.500     0.500 peak    38 spectrum    1 weight  0.10000E+01 volume  0.15897E-01 ppm1      4.248 ppm2      8.238 CV     1
 OR {   38}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 81   and name H   ))
 OR {   38}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 80   and name H   ))
 OR {   38}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 78   and name H   ))
 OR {   38}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 76   and name H   ))
 OR {   38}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 74   and name H   ))
 OR {   38}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 73   and name H   ))
 OR {   38}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 58   and name H   ))
 OR {   38}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 9    and name H   ))
 OR {   38}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 8    and name H   ))
 OR {   38}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 7    and name H   ))
 OR {   38}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 3    and name H   ))
 ASSI {   39}
   (( segid "    " and resid 85   and name HD2 ))
   (( segid "    " and resid 85   and name H   ))
      3.900     1.900     1.900 peak    39 spectrum    1 weight  0.10000E+01 volume  0.10605E-02 ppm1      3.102 ppm2      8.133 CV     1
 OR {   39}
   (( segid "    " and resid 85   and name HD3 ))
   (( segid "    " and resid 85   and name H   ))
 OR {   39}
   (( segid "    " and resid 85   and name HD3 ))
   (( segid "    " and resid 79   and name H   ))
 OR {   39}
   (( segid "    " and resid 85   and name HD2 ))
   (( segid "    " and resid 79   and name H   ))
 OR {   39}
   (( segid "    " and resid 85   and name HD3 ))
   (( segid "    " and resid 65   and name H   ))
 OR {   39}
   (( segid "    " and resid 85   and name HD2 ))
   (( segid "    " and resid 65   and name H   ))
 OR {   39}
   (( segid "    " and resid 85   and name HD3 ))
   (( segid "    " and resid 7    and name H   ))
 OR {   39}
   (( segid "    " and resid 85   and name HD2 ))
   (( segid "    " and resid 7    and name H   ))
 OR {   39}
   (( segid "    " and resid 85   and name HD3 ))
   (( segid "    " and resid 19   and name H   ))
 OR {   39}
   (( segid "    " and resid 85   and name HD2 ))
   (( segid "    " and resid 19   and name H   ))
 ASSI {   40}
   (( segid "    " and resid 85   and name HB3 ))
   (( segid "    " and resid 69   and name HG3 ))
      1.900     0.400     0.400 peak    40 spectrum    1 weight  0.10000E+01 volume  0.40201E-02 ppm1      1.749 ppm2      2.270 CV     1
 OR {   40}
   (( segid "    " and resid 85   and name HB3 ))
   (( segid "    " and resid 66   and name HG3 ))
 OR {   40}
   (( segid "    " and resid 85   and name HB3 ))
   (( segid "    " and resid 63   and name HG2 ))
 OR {   40}
   (( segid "    " and resid 85   and name HB3 ))
   (( segid "    " and resid 63   and name HG3 ))
 OR {   40}
   (( segid "    " and resid 85   and name HB3 ))
   (( segid "    " and resid 56   and name HD3 ))
 OR {   40}
   (( segid "    " and resid 85   and name HB3 ))
   (( segid "    " and resid 49   and name HG2 ))
 OR {   40}
   (( segid "    " and resid 85   and name HB3 ))
   (( segid "    " and resid 49   and name HG3 ))
 OR {   40}
   (( segid "    " and resid 85   and name HB3 ))
   (( segid "    " and resid 49   and name HB2 ))
 OR {   40}
   (( segid "    " and resid 85   and name HB3 ))
   (( segid "    " and resid 54   and name HB  ))
 OR {   40}
   (( segid "    " and resid 85   and name HB3 ))
   (( segid "    " and resid 41   and name HG2 ))
 OR {   40}
   (( segid "    " and resid 85   and name HB3 ))
   (( segid "    " and resid 12   and name HG2 ))
 OR {   40}
   (( segid "    " and resid 85   and name HB3 ))
   (( segid "    " and resid 12   and name HG3 ))
 OR {   40}
   (( segid "    " and resid 85   and name HB3 ))
   (( segid "    " and resid 33   and name HG2 ))
 OR {   40}
   (( segid "    " and resid 85   and name HB3 ))
   (( segid "    " and resid 32   and name HG2 ))
 OR {   40}
   (( segid "    " and resid 85   and name HB3 ))
   (( segid "    " and resid 5    and name HB2 ))
 OR {   40}
   (( segid "    " and resid 85   and name HB3 ))
   (( segid "    " and resid 30   and name HG2 ))
 OR {   40}
   (( segid "    " and resid 85   and name HB3 ))
   (( segid "    " and resid 4    and name HB3 ))
 OR {   40}
   (( segid "    " and resid 85   and name HB3 ))
   (( segid "    " and resid 28   and name HG2 ))
 ASSI {   41}
   (( segid "    " and resid 85   and name HG2 ))
   (  segid "    " and resid 81   and name HE% )
      2.300     0.700     0.700 peak    41 spectrum    1 weight  0.10000E+01 volume  0.10272E-02 ppm1      1.536 ppm2      7.102 CV     1
 OR {   41}
   (( segid "    " and resid 85   and name HG3 ))
   (  segid "    " and resid 81   and name HE% )
 OR {   41}
   (( segid "    " and resid 85   and name HG2 ))
   (  segid "    " and resid 81   and name HD% )
 OR {   41}
   (( segid "    " and resid 85   and name HG3 ))
   (  segid "    " and resid 81   and name HD% )
 OR {   41}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 73   and name HD2 ))
 OR {   41}
   (( segid "    " and resid 85   and name HG3 ))
   (( segid "    " and resid 73   and name HD2 ))
 OR {   41}
   (( segid "    " and resid 85   and name HG2 ))
   (  segid "    " and resid 65   and name HE% )
 OR {   41}
   (( segid "    " and resid 85   and name HG3 ))
   (  segid "    " and resid 65   and name HE% )
 OR {   41}
   (( segid "    " and resid 85   and name HG2 ))
   (  segid "    " and resid 65   and name HD% )
 OR {   41}
   (( segid "    " and resid 85   and name HG3 ))
   (  segid "    " and resid 65   and name HD% )
 OR {   41}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 67   and name HD2 ))
 OR {   41}
   (( segid "    " and resid 85   and name HG3 ))
   (( segid "    " and resid 67   and name HD2 ))
 OR {   41}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 58   and name HD22))
 OR {   41}
   (( segid "    " and resid 85   and name HG3 ))
   (( segid "    " and resid 58   and name HD22))
 OR {   41}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 55   and name HD2 ))
 OR {   41}
   (( segid "    " and resid 85   and name HG3 ))
   (( segid "    " and resid 55   and name HD2 ))
 OR {   41}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 50   and name HE  ))
 OR {   41}
   (( segid "    " and resid 85   and name HG3 ))
   (( segid "    " and resid 50   and name HE  ))
 OR {   41}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 43   and name HZ  ))
 OR {   41}
   (( segid "    " and resid 85   and name HG3 ))
   (( segid "    " and resid 43   and name HZ  ))
 OR {   41}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 39   and name HD2 ))
 OR {   41}
   (( segid "    " and resid 85   and name HG3 ))
   (( segid "    " and resid 39   and name HD2 ))
 OR {   41}
   (( segid "    " and resid 85   and name HG2 ))
   (  segid "    " and resid 1    and name HD% )
 OR {   41}
   (( segid "    " and resid 85   and name HG3 ))
   (  segid "    " and resid 1    and name HD% )
 OR {   41}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 32   and name HE22))
 OR {   41}
   (( segid "    " and resid 85   and name HG3 ))
   (( segid "    " and resid 32   and name HE22))
 OR {   41}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 15   and name HE  ))
 OR {   41}
   (( segid "    " and resid 85   and name HG3 ))
   (( segid "    " and resid 15   and name HE  ))
 ASSI {   42}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 71   and name H   ))
      2.200     0.600     0.600 peak    42 spectrum    1 weight  0.10000E+01 volume  0.66686E-02 ppm1      1.538 ppm2      8.047 CV     1
 OR {   42}
   (( segid "    " and resid 70   and name HG3 ))
   (( segid "    " and resid 71   and name H   ))
 OR {   42}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 70   and name H   ))
 OR {   42}
   (( segid "    " and resid 84   and name HG  ))
   (( segid "    " and resid 84   and name H   ))
 OR {   42}
   (( segid "    " and resid 70   and name HG3 ))
   (( segid "    " and resid 70   and name H   ))
 OR {   42}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 72   and name H   ))
 OR {   42}
   (( segid "    " and resid 84   and name HG  ))
   (( segid "    " and resid 83   and name H   ))
 OR {   42}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 84   and name H   ))
 OR {   42}
   (( segid "    " and resid 85   and name HG3 ))
   (( segid "    " and resid 84   and name H   ))
 OR {   42}
   (( segid "    " and resid 70   and name HG3 ))
   (( segid "    " and resid 72   and name H   ))
 OR {   42}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 83   and name H   ))
 OR {   42}
   (( segid "    " and resid 85   and name HG3 ))
   (( segid "    " and resid 83   and name H   ))
 OR {   42}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 75   and name H   ))
 OR {   42}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 35   and name H   ))
 OR {   42}
   (( segid "    " and resid 70   and name HG3 ))
   (( segid "    " and resid 75   and name H   ))
 OR {   42}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 39   and name H   ))
 OR {   42}
   (( segid "    " and resid 70   and name HG3 ))
   (( segid "    " and resid 66   and name H   ))
 OR {   42}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 66   and name H   ))
 OR {   42}
   (( segid "    " and resid 84   and name HG  ))
   (( segid "    " and resid 79   and name H   ))
 OR {   42}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 79   and name H   ))
 OR {   42}
   (( segid "    " and resid 85   and name HG3 ))
   (( segid "    " and resid 79   and name H   ))
 OR {   42}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 79   and name H   ))
 OR {   42}
   (( segid "    " and resid 70   and name HG3 ))
   (( segid "    " and resid 79   and name H   ))
 OR {   42}
   (( segid "    " and resid 84   and name HG  ))
   (( segid "    " and resid 75   and name H   ))
 OR {   42}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 75   and name H   ))
 OR {   42}
   (( segid "    " and resid 85   and name HG3 ))
   (( segid "    " and resid 75   and name H   ))
 OR {   42}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 83   and name H   ))
 OR {   42}
   (( segid "    " and resid 84   and name HG  ))
   (( segid "    " and resid 72   and name H   ))
 OR {   42}
   (( segid "    " and resid 70   and name HG3 ))
   (( segid "    " and resid 83   and name H   ))
 OR {   42}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 84   and name H   ))
 OR {   42}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 72   and name H   ))
 OR {   42}
   (( segid "    " and resid 84   and name HG  ))
   (( segid "    " and resid 71   and name H   ))
 OR {   42}
   (( segid "    " and resid 70   and name HG3 ))
   (( segid "    " and resid 84   and name H   ))
 OR {   42}
   (( segid "    " and resid 85   and name HG3 ))
   (( segid "    " and resid 72   and name H   ))
 OR {   42}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 71   and name H   ))
 OR {   42}
   (( segid "    " and resid 84   and name HG  ))
   (( segid "    " and resid 70   and name H   ))
 OR {   42}
   (( segid "    " and resid 85   and name HG3 ))
   (( segid "    " and resid 71   and name H   ))
 OR {   42}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 70   and name H   ))
 OR {   42}
   (( segid "    " and resid 85   and name HG3 ))
   (( segid "    " and resid 70   and name H   ))
 OR {   42}
   (( segid "    " and resid 84   and name HG  ))
   (( segid "    " and resid 66   and name H   ))
 OR {   42}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 66   and name H   ))
 OR {   42}
   (( segid "    " and resid 85   and name HG3 ))
   (( segid "    " and resid 66   and name H   ))
 OR {   42}
   (( segid "    " and resid 70   and name HG3 ))
   (( segid "    " and resid 39   and name H   ))
 OR {   42}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 66   and name H   ))
 OR {   42}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 39   and name H   ))
 OR {   42}
   (( segid "    " and resid 70   and name HG3 ))
   (( segid "    " and resid 35   and name H   ))
 OR {   42}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 35   and name H   ))
 OR {   42}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 70   and name H   ))
 OR {   42}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 71   and name H   ))
 OR {   42}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 72   and name H   ))
 OR {   42}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 75   and name H   ))
 OR {   42}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 79   and name H   ))
 OR {   42}
   (( segid "    " and resid 84   and name HG  ))
   (( segid "    " and resid 39   and name H   ))
 OR {   42}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 39   and name H   ))
 OR {   42}
   (( segid "    " and resid 84   and name HG  ))
   (( segid "    " and resid 35   and name H   ))
 OR {   42}
   (( segid "    " and resid 85   and name HG3 ))
   (( segid "    " and resid 39   and name H   ))
 OR {   42}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 35   and name H   ))
 OR {   42}
   (( segid "    " and resid 85   and name HG3 ))
   (( segid "    " and resid 35   and name H   ))
 OR {   42}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 83   and name H   ))
 OR {   42}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 84   and name H   ))
 ASSI {   43}
   (( segid "    " and resid 85   and name HG3 ))
   (( segid "    " and resid 86   and name H   ))
      3.300     1.300     1.300 peak    43 spectrum    1 weight  0.10000E+01 volume  0.15269E-02 ppm1      1.514 ppm2      8.224 CV     1
 OR {   43}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 86   and name H   ))
 OR {   43}
   (( segid "    " and resid 70   and name HG3 ))
   (( segid "    " and resid 73   and name H   ))
 OR {   43}
   (( segid "    " and resid 27   and name HG12))
   (( segid "    " and resid 3    and name H   ))
 OR {   43}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 81   and name H   ))
 OR {   43}
   (( segid "    " and resid 85   and name HG3 ))
   (( segid "    " and resid 81   and name H   ))
 OR {   43}
   (( segid "    " and resid 27   and name HG12))
   (( segid "    " and resid 7    and name H   ))
 OR {   43}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 80   and name H   ))
 OR {   43}
   (( segid "    " and resid 85   and name HG3 ))
   (( segid "    " and resid 80   and name H   ))
 OR {   43}
   (( segid "    " and resid 70   and name HG3 ))
   (( segid "    " and resid 76   and name H   ))
 OR {   43}
   (( segid "    " and resid 27   and name HG12))
   (( segid "    " and resid 8    and name H   ))
 OR {   43}
   (( segid "    " and resid 27   and name HG12))
   (( segid "    " and resid 9    and name H   ))
 OR {   43}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 78   and name H   ))
 OR {   43}
   (( segid "    " and resid 85   and name HG3 ))
   (( segid "    " and resid 78   and name H   ))
 OR {   43}
   (( segid "    " and resid 70   and name HG3 ))
   (( segid "    " and resid 78   and name H   ))
 OR {   43}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 76   and name H   ))
 OR {   43}
   (( segid "    " and resid 85   and name HG3 ))
   (( segid "    " and resid 76   and name H   ))
 OR {   43}
   (( segid "    " and resid 70   and name HG3 ))
   (( segid "    " and resid 80   and name H   ))
 OR {   43}
   (( segid "    " and resid 70   and name HG3 ))
   (( segid "    " and resid 81   and name H   ))
 OR {   43}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 73   and name H   ))
 OR {   43}
   (( segid "    " and resid 85   and name HG3 ))
   (( segid "    " and resid 73   and name H   ))
 OR {   43}
   (( segid "    " and resid 70   and name HG3 ))
   (( segid "    " and resid 58   and name H   ))
 OR {   43}
   (( segid "    " and resid 27   and name HG12))
   (( segid "    " and resid 58   and name H   ))
 OR {   43}
   (( segid "    " and resid 70   and name HG3 ))
   (( segid "    " and resid 86   and name H   ))
 OR {   43}
   (( segid "    " and resid 70   and name HG3 ))
   (( segid "    " and resid 9    and name H   ))
 OR {   43}
   (( segid "    " and resid 70   and name HG3 ))
   (( segid "    " and resid 8    and name H   ))
 OR {   43}
   (( segid "    " and resid 70   and name HG3 ))
   (( segid "    " and resid 7    and name H   ))
 OR {   43}
   (( segid "    " and resid 70   and name HG3 ))
   (( segid "    " and resid 3    and name H   ))
 OR {   43}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 58   and name H   ))
 OR {   43}
   (( segid "    " and resid 85   and name HG3 ))
   (( segid "    " and resid 58   and name H   ))
 OR {   43}
   (( segid "    " and resid 27   and name HG12))
   (( segid "    " and resid 73   and name H   ))
 OR {   43}
   (( segid "    " and resid 27   and name HG12))
   (( segid "    " and resid 76   and name H   ))
 OR {   43}
   (( segid "    " and resid 27   and name HG12))
   (( segid "    " and resid 78   and name H   ))
 OR {   43}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 9    and name H   ))
 OR {   43}
   (( segid "    " and resid 85   and name HG3 ))
   (( segid "    " and resid 9    and name H   ))
 OR {   43}
   (( segid "    " and resid 27   and name HG12))
   (( segid "    " and resid 80   and name H   ))
 OR {   43}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 8    and name H   ))
 OR {   43}
   (( segid "    " and resid 85   and name HG3 ))
   (( segid "    " and resid 8    and name H   ))
 OR {   43}
   (( segid "    " and resid 27   and name HG12))
   (( segid "    " and resid 81   and name H   ))
 OR {   43}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 7    and name H   ))
 OR {   43}
   (( segid "    " and resid 85   and name HG3 ))
   (( segid "    " and resid 7    and name H   ))
 OR {   43}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 3    and name H   ))
 OR {   43}
   (( segid "    " and resid 85   and name HG3 ))
   (( segid "    " and resid 3    and name H   ))
 OR {   43}
   (( segid "    " and resid 27   and name HG12))
   (( segid "    " and resid 86   and name H   ))
 ASSI {   44}
   (( segid "    " and resid 72   and name HG  ))
   (( segid "    " and resid 73   and name H   ))
      3.800     1.800     1.800 peak    44 spectrum    1 weight  0.10000E+01 volume  0.28706E-02 ppm1      1.459 ppm2      8.267 CV     1
 OR {   44}
   (( segid "    " and resid 79   and name HG  ))
   (( segid "    " and resid 80   and name H   ))
 OR {   44}
   (( segid "    " and resid 2    and name HG  ))
   (( segid "    " and resid 3    and name H   ))
 OR {   44}
   (( segid "    " and resid 79   and name HG  ))
   (( segid "    " and resid 78   and name H   ))
 OR {   44}
   (( segid "    " and resid 79   and name HG  ))
   (( segid "    " and resid 81   and name H   ))
 OR {   44}
   (( segid "    " and resid 72   and name HG  ))
   (( segid "    " and resid 74   and name H   ))
 OR {   44}
   (( segid "    " and resid 79   and name HG  ))
   (( segid "    " and resid 76   and name H   ))
 OR {   44}
   (( segid "    " and resid 72   and name HG  ))
   (( segid "    " and resid 69   and name H   ))
 OR {   44}
   (( segid "    " and resid 72   and name HG  ))
   (( segid "    " and resid 76   and name H   ))
 OR {   44}
   (( segid "    " and resid 2    and name HG  ))
   (( segid "    " and resid 8    and name H   ))
 OR {   44}
   (( segid "    " and resid 79   and name HG  ))
   (( segid "    " and resid 74   and name H   ))
 OR {   44}
   (( segid "    " and resid 72   and name HG  ))
   (( segid "    " and resid 78   and name H   ))
 OR {   44}
   (( segid "    " and resid 2    and name HG  ))
   (( segid "    " and resid 9    and name H   ))
 OR {   44}
   (( segid "    " and resid 79   and name HG  ))
   (( segid "    " and resid 86   and name H   ))
 OR {   44}
   (( segid "    " and resid 79   and name HG  ))
   (( segid "    " and resid 73   and name H   ))
 OR {   44}
   (( segid "    " and resid 72   and name HG  ))
   (( segid "    " and resid 80   and name H   ))
 OR {   44}
   (( segid "    " and resid 72   and name HG  ))
   (( segid "    " and resid 81   and name H   ))
 OR {   44}
   (( segid "    " and resid 79   and name HG  ))
   (( segid "    " and resid 69   and name H   ))
 OR {   44}
   (( segid "    " and resid 72   and name HG  ))
   (( segid "    " and resid 86   and name H   ))
 OR {   44}
   (( segid "    " and resid 2    and name HG  ))
   (( segid "    " and resid 58   and name H   ))
 OR {   44}
   (( segid "    " and resid 72   and name HG  ))
   (( segid "    " and resid 58   and name H   ))
 OR {   44}
   (( segid "    " and resid 79   and name HG  ))
   (( segid "    " and resid 58   and name H   ))
 OR {   44}
   (( segid "    " and resid 72   and name HG  ))
   (( segid "    " and resid 9    and name H   ))
 OR {   44}
   (( segid "    " and resid 72   and name HG  ))
   (( segid "    " and resid 8    and name H   ))
 OR {   44}
   (( segid "    " and resid 2    and name HG  ))
   (( segid "    " and resid 69   and name H   ))
 OR {   44}
   (( segid "    " and resid 72   and name HG  ))
   (( segid "    " and resid 3    and name H   ))
 OR {   44}
   (( segid "    " and resid 2    and name HG  ))
   (( segid "    " and resid 73   and name H   ))
 OR {   44}
   (( segid "    " and resid 79   and name HG  ))
   (( segid "    " and resid 9    and name H   ))
 OR {   44}
   (( segid "    " and resid 2    and name HG  ))
   (( segid "    " and resid 74   and name H   ))
 OR {   44}
   (( segid "    " and resid 79   and name HG  ))
   (( segid "    " and resid 8    and name H   ))
 OR {   44}
   (( segid "    " and resid 2    and name HG  ))
   (( segid "    " and resid 76   and name H   ))
 OR {   44}
   (( segid "    " and resid 2    and name HG  ))
   (( segid "    " and resid 78   and name H   ))
 OR {   44}
   (( segid "    " and resid 79   and name HG  ))
   (( segid "    " and resid 3    and name H   ))
 OR {   44}
   (( segid "    " and resid 2    and name HG  ))
   (( segid "    " and resid 80   and name H   ))
 OR {   44}
   (( segid "    " and resid 2    and name HG  ))
   (( segid "    " and resid 81   and name H   ))
 OR {   44}
   (( segid "    " and resid 2    and name HG  ))
   (( segid "    " and resid 86   and name H   ))
 ASSI {   45}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 85   and name H   ))
      2.100     0.500     0.500 peak    45 spectrum    1 weight  0.10000E+01 volume  0.15702E-01 ppm1      4.253 ppm2      8.113 CV     1
 OR {   45}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name H   ))
 OR {   45}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 79   and name H   ))
 OR {   45}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 65   and name H   ))
 OR {   45}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 7    and name H   ))
 OR {   45}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 19   and name H   ))
 ASSI {   46}
   (( segid "    " and resid 3    and name HB3 ))
   (  segid "    " and resid 3    and name HD2%)
      1.800     0.400     0.400 peak    46 spectrum    1 weight  0.10000E+01 volume  0.34453E-01 ppm1      1.501 ppm2      0.787 CV     1
 OR {   46}
   (( segid "    " and resid 72   and name HB3 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {   46}
   (( segid "    " and resid 3    and name HB2 ))
   (  segid "    " and resid 3    and name HD1%)
 OR {   46}
   (( segid "    " and resid 84   and name HB2 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {   46}
   (( segid "    " and resid 3    and name HB2 ))
   (  segid "    " and resid 3    and name HD2%)
 OR {   46}
   (( segid "    " and resid 3    and name HB3 ))
   (  segid "    " and resid 3    and name HD1%)
 OR {   46}
   (( segid "    " and resid 84   and name HB2 ))
   (  segid "    " and resid 84   and name HD1%)
 OR {   46}
   (( segid "    " and resid 72   and name HB3 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {   46}
   (( segid "    " and resid 3    and name HB2 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {   46}
   (( segid "    " and resid 3    and name HB3 ))
   (  segid "    " and resid 26   and name HG1%)
 OR {   46}
   (( segid "    " and resid 3    and name HB2 ))
   (  segid "    " and resid 26   and name HG1%)
 OR {   46}
   (( segid "    " and resid 3    and name HB2 ))
   (  segid "    " and resid 2    and name HD2%)
 OR {   46}
   (( segid "    " and resid 3    and name HB2 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {   46}
   (( segid "    " and resid 3    and name HB3 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {   46}
   (( segid "    " and resid 3    and name HB3 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {   46}
   (( segid "    " and resid 3    and name HB3 ))
   (  segid "    " and resid 2    and name HD2%)
 OR {   46}
   (( segid "    " and resid 3    and name HB3 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {   46}
   (( segid "    " and resid 3    and name HB2 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {   46}
   (( segid "    " and resid 3    and name HB2 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {   46}
   (( segid "    " and resid 3    and name HB3 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {   46}
   (( segid "    " and resid 84   and name HB2 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {   46}
   (( segid "    " and resid 72   and name HB3 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {   46}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {   46}
   (( segid "    " and resid 3    and name HB3 ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {   46}
   (( segid "    " and resid 3    and name HB2 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {   46}
   (( segid "    " and resid 72   and name HB3 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {   46}
   (( segid "    " and resid 3    and name HB3 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {   46}
   (( segid "    " and resid 3    and name HB3 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {   46}
   (( segid "    " and resid 3    and name HB3 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {   46}
   (( segid "    " and resid 3    and name HB2 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {   46}
   (( segid "    " and resid 3    and name HB2 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {   46}
   (( segid "    " and resid 84   and name HB2 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {   46}
   (( segid "    " and resid 84   and name HB2 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {   46}
   (( segid "    " and resid 72   and name HB3 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {   46}
   (( segid "    " and resid 3    and name HB3 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {   46}
   (( segid "    " and resid 3    and name HB2 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {   46}
   (( segid "    " and resid 3    and name HB3 ))
   (( segid "    " and resid 52   and name HG13))
 OR {   46}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 52   and name HG13))
 OR {   46}
   (( segid "    " and resid 3    and name HB3 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {   46}
   (( segid "    " and resid 3    and name HB2 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {   46}
   (( segid "    " and resid 84   and name HB2 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {   46}
   (( segid "    " and resid 84   and name HB2 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {   46}
   (( segid "    " and resid 72   and name HB3 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {   46}
   (( segid "    " and resid 72   and name HB3 ))
   (  segid "    " and resid 84   and name HD1%)
 OR {   46}
   (( segid "    " and resid 72   and name HB3 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {   46}
   (( segid "    " and resid 72   and name HB3 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {   46}
   (( segid "    " and resid 72   and name HB3 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {   46}
   (( segid "    " and resid 72   and name HB3 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {   46}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 52   and name HG13))
 OR {   46}
   (( segid "    " and resid 72   and name HB3 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {   46}
   (( segid "    " and resid 3    and name HB3 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {   46}
   (( segid "    " and resid 3    and name HB2 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {   46}
   (( segid "    " and resid 72   and name HB3 ))
   (  segid "    " and resid 3    and name HD2%)
 OR {   46}
   (( segid "    " and resid 3    and name HB3 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {   46}
   (( segid "    " and resid 3    and name HB2 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {   46}
   (( segid "    " and resid 72   and name HB3 ))
   (  segid "    " and resid 26   and name HG1%)
 OR {   46}
   (( segid "    " and resid 72   and name HB3 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {   46}
   (( segid "    " and resid 72   and name HB3 ))
   (  segid "    " and resid 3    and name HD1%)
 OR {   46}
   (( segid "    " and resid 72   and name HB3 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {   46}
   (( segid "    " and resid 72   and name HB3 ))
   (  segid "    " and resid 2    and name HD2%)
 OR {   46}
   (( segid "    " and resid 72   and name HB3 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {   46}
   (( segid "    " and resid 84   and name HB2 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {   46}
   (( segid "    " and resid 84   and name HB2 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {   46}
   (( segid "    " and resid 72   and name HB3 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {   46}
   (( segid "    " and resid 3    and name HB3 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {   46}
   (( segid "    " and resid 3    and name HB2 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {   46}
   (( segid "    " and resid 3    and name HB3 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {   46}
   (( segid "    " and resid 3    and name HB2 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {   46}
   (( segid "    " and resid 84   and name HB2 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {   46}
   (( segid "    " and resid 84   and name HB2 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {   46}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {   46}
   (( segid "    " and resid 3    and name HB3 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {   46}
   (( segid "    " and resid 3    and name HB2 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {   46}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 52   and name HG13))
 OR {   46}
   (( segid "    " and resid 84   and name HB2 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {   46}
   (( segid "    " and resid 84   and name HB2 ))
   (  segid "    " and resid 3    and name HD2%)
 OR {   46}
   (( segid "    " and resid 3    and name HB3 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {   46}
   (( segid "    " and resid 3    and name HB2 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {   46}
   (( segid "    " and resid 84   and name HB2 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {   46}
   (( segid "    " and resid 84   and name HB2 ))
   (  segid "    " and resid 26   and name HG1%)
 OR {   46}
   (( segid "    " and resid 84   and name HB2 ))
   (  segid "    " and resid 3    and name HD1%)
 OR {   46}
   (( segid "    " and resid 3    and name HB3 ))
   (  segid "    " and resid 84   and name HD1%)
 OR {   46}
   (( segid "    " and resid 3    and name HB2 ))
   (  segid "    " and resid 84   and name HD1%)
 OR {   46}
   (( segid "    " and resid 84   and name HB2 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {   46}
   (( segid "    " and resid 84   and name HB2 ))
   (  segid "    " and resid 2    and name HD2%)
 OR {   46}
   (( segid "    " and resid 84   and name HB2 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {   46}
   (( segid "    " and resid 84   and name HB2 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {   46}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 23   and name HB3 ))
 ASSI {   47}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 21   and name HA  ))
      3.500     1.500     1.500 peak    47 spectrum    1 weight  0.10000E+01 volume  0.16158E-02 ppm1      1.570 ppm2      3.824 CV     1
 OR {   47}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 21   and name HA  ))
 OR {   47}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 19   and name HB3 ))
 OR {   47}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 19   and name HB3 ))
 OR {   47}
   (( segid "    " and resid 84   and name HB3 ))
   (( segid "    " and resid 82   and name HA3 ))
 OR {   47}
   (( segid "    " and resid 84   and name HB3 ))
   (( segid "    " and resid 82   and name HA2 ))
 OR {   47}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 4    and name HD3 ))
 OR {   47}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 4    and name HD3 ))
 OR {   47}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 34   and name HA  ))
 OR {   47}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 34   and name HA  ))
 OR {   47}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 36   and name HA2 ))
 OR {   47}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 36   and name HA2 ))
 OR {   47}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 6    and name HB3 ))
 OR {   47}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 6    and name HB3 ))
 OR {   47}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 6    and name HB2 ))
 OR {   47}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 6    and name HB2 ))
 OR {   47}
   (( segid "    " and resid 84   and name HB3 ))
   (( segid "    " and resid 36   and name HA2 ))
 OR {   47}
   (( segid "    " and resid 84   and name HB3 ))
   (( segid "    " and resid 34   and name HA  ))
 OR {   47}
   (( segid "    " and resid 84   and name HB3 ))
   (( segid "    " and resid 6    and name HB2 ))
 OR {   47}
   (( segid "    " and resid 84   and name HB3 ))
   (( segid "    " and resid 6    and name HB3 ))
 OR {   47}
   (( segid "    " and resid 84   and name HB3 ))
   (( segid "    " and resid 4    and name HD3 ))
 OR {   47}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 82   and name HA3 ))
 OR {   47}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 82   and name HA2 ))
 OR {   47}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 82   and name HA3 ))
 OR {   47}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 82   and name HA2 ))
 OR {   47}
   (( segid "    " and resid 84   and name HB3 ))
   (( segid "    " and resid 19   and name HB3 ))
 OR {   47}
   (( segid "    " and resid 84   and name HB3 ))
   (( segid "    " and resid 21   and name HA  ))
 ASSI {   48}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 84   and name HA  ))
      2.100     0.600     0.600 peak    48 spectrum    1 weight  0.10000E+01 volume  0.12554E-01 ppm1      1.502 ppm2      4.237 CV     1
 OR {   48}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 72   and name HA  ))
 OR {   48}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 85   and name HA  ))
 OR {   48}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 86   and name HA  ))
 OR {   48}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 75   and name HA  ))
 OR {   48}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 79   and name HA  ))
 OR {   48}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 78   and name HA  ))
 OR {   48}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 78   and name HA  ))
 OR {   48}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 79   and name HA  ))
 OR {   48}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 64   and name HA  ))
 OR {   48}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 75   and name HA  ))
 OR {   48}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 72   and name HA  ))
 OR {   48}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 84   and name HA  ))
 OR {   48}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 85   and name HA  ))
 OR {   48}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 86   and name HA  ))
 OR {   48}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 64   and name HA  ))
 OR {   48}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 11   and name HB  ))
 OR {   48}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 11   and name HA  ))
 OR {   48}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 8    and name HA  ))
 OR {   48}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 7    and name HA  ))
 OR {   48}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 37   and name HA  ))
 OR {   48}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 16   and name HA  ))
 OR {   48}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 27   and name HA  ))
 OR {   48}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 20   and name HA  ))
 OR {   48}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 11   and name HB  ))
 OR {   48}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 11   and name HA  ))
 OR {   48}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 8    and name HA  ))
 OR {   48}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 7    and name HA  ))
 OR {   48}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 37   and name HA  ))
 OR {   48}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 16   and name HA  ))
 OR {   48}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 27   and name HA  ))
 OR {   48}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 20   and name HA  ))
 ASSI {   49}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 84   and name HG  ))
      1.800     0.400     0.400 peak    49 spectrum    1 weight  0.10000E+01 volume  0.39478E-01 ppm1      0.799 ppm2      1.544 CV     1
 OR {   49}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 84   and name HB3 ))
 OR {   49}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 84   and name HB2 ))
 OR {   49}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 85   and name HG3 ))
 OR {   49}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 86   and name HD3 ))
 OR {   49}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 85   and name HG2 ))
 OR {   49}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 86   and name HD2 ))
 OR {   49}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 78   and name HD3 ))
 OR {   49}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 78   and name HD2 ))
 OR {   49}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 76   and name HB3 ))
 OR {   49}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 76   and name HG  ))
 OR {   49}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 76   and name HB2 ))
 OR {   49}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 72   and name HB3 ))
 OR {   49}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 71   and name HD3 ))
 OR {   49}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 71   and name HD2 ))
 OR {   49}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 70   and name HG2 ))
 OR {   49}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 70   and name HG3 ))
 OR {   49}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 61   and name HB3 ))
 OR {   49}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 47   and name HG  ))
 OR {   49}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 50   and name HG2 ))
 OR {   49}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 45   and name HG  ))
 OR {   49}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 52   and name HB  ))
 OR {   49}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 13   and name HG  ))
 OR {   49}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 15   and name HG2 ))
 OR {   49}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 16   and name HD2 ))
 OR {   49}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 3    and name HB3 ))
 OR {   49}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 16   and name HD3 ))
 OR {   49}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 3    and name HB2 ))
 OR {   49}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 3    and name HG  ))
 OR {   49}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 2    and name HB3 ))
 OR {   49}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 27   and name HG12))
 OR {   49}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 2    and name HB2 ))
 OR {   49}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 18   and name HB2 ))
 OR {   49}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 25   and name HG3 ))
 OR {   49}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 25   and name HD2 ))
 OR {   49}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 22   and name HB2 ))
 OR {   49}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 22   and name HB3 ))
 OR {   49}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 21   and name HD2 ))
 OR {   49}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 21   and name HD3 ))
 ASSI {   50}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 85   and name HD2 ))
      3.800     1.800     1.800 peak    50 spectrum    1 weight  0.10000E+01 volume  0.23488E-02 ppm1      0.796 ppm2      3.092 CV     1
 OR {   50}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 85   and name HD3 ))
 OR {   50}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 81   and name HB2 ))
 OR {   50}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 73   and name HB2 ))
 OR {   50}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 70   and name HD3 ))
 OR {   50}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 70   and name HD2 ))
 OR {   50}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 67   and name HB3 ))
 OR {   50}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 65   and name HB2 ))
 OR {   50}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 64   and name HB2 ))
 OR {   50}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 64   and name HB3 ))
 OR {   50}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 58   and name HB3 ))
 OR {   50}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 46   and name HB3 ))
 OR {   50}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 50   and name HD2 ))
 OR {   50}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 50   and name HD3 ))
 OR {   50}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 38   and name HB3 ))
 OR {   50}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 39   and name HB2 ))
 OR {   50}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 14   and name HB2 ))
 OR {   50}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 14   and name HB3 ))
 OR {   50}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 1    and name HB3 ))
 OR {   50}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 1    and name HB2 ))
 OR {   50}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 24   and name HD3 ))
 OR {   50}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 24   and name HD2 ))
 ASSI {   51}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 80   and name HD22))
      2.100     0.600     0.600 peak    51 spectrum    1 weight  0.10000E+01 volume  0.18935E-02 ppm1      0.799 ppm2      6.854 CV     1
 OR {   51}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 65   and name HZ  ))
 OR {   51}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 64   and name HH2 ))
 OR {   51}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 63   and name HE22))
 OR {   51}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 64   and name HD1 ))
 OR {   51}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 57   and name HE22))
 OR {   51}
   (  segid "    " and resid 84   and name HD1%)
   (  segid "    " and resid 43   and name HD% )
 OR {   51}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 49   and name HE22))
 OR {   51}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 12   and name HE21))
 ASSI {   52}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 85   and name HE  ))
      3.300     1.300     1.300 peak    52 spectrum    1 weight  0.10000E+01 volume  0.44919E-02 ppm1      0.794 ppm2      7.114 CV     1
 OR {   52}
   (  segid "    " and resid 84   and name HD1%)
   (  segid "    " and resid 81   and name HE% )
 OR {   52}
   (  segid "    " and resid 84   and name HD1%)
   (  segid "    " and resid 81   and name HD% )
 OR {   52}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 73   and name HD2 ))
 OR {   52}
   (  segid "    " and resid 84   and name HD1%)
   (  segid "    " and resid 65   and name HE% )
 OR {   52}
   (  segid "    " and resid 84   and name HD1%)
   (  segid "    " and resid 65   and name HD% )
 OR {   52}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 67   and name HD2 ))
 OR {   52}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 58   and name HD22))
 OR {   52}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 55   and name HD2 ))
 OR {   52}
   (  segid "    " and resid 84   and name HD1%)
   (  segid "    " and resid 43   and name HE% )
 OR {   52}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 50   and name HE  ))
 OR {   52}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 43   and name HZ  ))
 OR {   52}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 39   and name HD2 ))
 OR {   52}
   (  segid "    " and resid 84   and name HD1%)
   (  segid "    " and resid 1    and name HD% )
 OR {   52}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 32   and name HE22))
 ASSI {   53}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 85   and name H   ))
      2.900     1.100     1.100 peak    53 spectrum    1 weight  0.10000E+01 volume  0.18990E-02 ppm1      0.802 ppm2      8.106 CV     1
 OR {   53}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 84   and name H   ))
 OR {   53}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 79   and name H   ))
 OR {   53}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 65   and name H   ))
 OR {   53}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 19   and name H   ))
 ASSI {   54}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HG3 ))
      3.000     1.100     1.100 peak    54 spectrum    1 weight  0.10000E+01 volume  0.61355E-02 ppm1      4.379 ppm2      2.451 CV     1
 OR {   54}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HG2 ))
 OR {   54}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 87   and name HG3 ))
 OR {   54}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 59   and name HB3 ))
 OR {   54}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 57   and name HG2 ))
 OR {   54}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 57   and name HB2 ))
 OR {   54}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 57   and name HG3 ))
 OR {   54}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 37   and name HB3 ))
 ASSI {   55}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HB2 ))
      2.100     0.600     0.600 peak    55 spectrum    1 weight  0.10000E+01 volume  0.15702E-01 ppm1      4.377 ppm2      2.012 CV     1
 OR {   55}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HB3 ))
 OR {   55}
   (( segid "    " and resid 83   and name HA  ))
   (  segid "    " and resid 83   and name HE% )
 OR {   55}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 87   and name HB2 ))
 OR {   55}
   (( segid "    " and resid 83   and name HA  ))
   (  segid "    " and resid 87   and name HE% )
 OR {   55}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 69   and name HB3 ))
 OR {   55}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 66   and name HB3 ))
 OR {   55}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {   55}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 63   and name HB2 ))
 OR {   55}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 59   and name HB2 ))
 OR {   55}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 59   and name HG2 ))
 OR {   55}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 59   and name HG3 ))
 OR {   55}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 57   and name HB3 ))
 OR {   55}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 56   and name HB2 ))
 OR {   55}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 12   and name HB3 ))
 OR {   55}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 33   and name HG3 ))
 OR {   55}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 33   and name HB2 ))
 OR {   55}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
 OR {   55}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 4    and name HG3 ))
 OR {   55}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 28   and name HB2 ))
 OR {   55}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {   55}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 17   and name HG3 ))
 OR {   55}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 25   and name HB3 ))
 OR {   55}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
 ASSI {   56}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 82   and name HA3 ))
      3.500     1.600     1.600 peak    56 spectrum    1 weight  0.10000E+01 volume  0.17657E-02 ppm1      4.373 ppm2      3.829 CV     1
 OR {   56}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 82   and name HA2 ))
 OR {   56}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 34   and name HA  ))
 OR {   56}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 6    and name HB2 ))
 OR {   56}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 6    and name HB3 ))
 OR {   56}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 4    and name HD3 ))
 OR {   56}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 19   and name HB3 ))
 OR {   56}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 21   and name HA  ))
 ASSI {   57}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 84   and name H   ))
      2.300     0.700     0.700 peak    57 spectrum    1 weight  0.10000E+01 volume  0.10933E-01 ppm1      4.379 ppm2      8.043 CV     1
 OR {   57}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name H   ))
 OR {   57}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 79   and name H   ))
 OR {   57}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 75   and name H   ))
 OR {   57}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 72   and name H   ))
 OR {   57}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 71   and name H   ))
 OR {   57}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 70   and name H   ))
 OR {   57}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 66   and name H   ))
 OR {   57}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 39   and name H   ))
 OR {   57}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 35   and name H   ))
 ASSI {   59}
   (( segid "    " and resid 83   and name HB3 ))
   (( segid "    " and resid 83   and name H   ))
      3.100     1.200     1.200 peak    59 spectrum    1 weight  0.10000E+01 volume  0.36424E-02 ppm1      2.024 ppm2      7.995 CV     1
 OR {   59}
   (( segid "    " and resid 83   and name HB3 ))
   (( segid "    " and resid 84   and name H   ))
 OR {   59}
   (( segid "    " and resid 83   and name HB3 ))
   (( segid "    " and resid 88   and name H   ))
 OR {   59}
   (( segid "    " and resid 83   and name HB3 ))
   (( segid "    " and resid 75   and name H   ))
 OR {   59}
   (( segid "    " and resid 83   and name HB3 ))
   (( segid "    " and resid 72   and name H   ))
 OR {   59}
   (( segid "    " and resid 83   and name HB3 ))
   (( segid "    " and resid 71   and name H   ))
 OR {   59}
   (( segid "    " and resid 83   and name HB3 ))
   (( segid "    " and resid 70   and name H   ))
 OR {   59}
   (( segid "    " and resid 83   and name HB3 ))
   (( segid "    " and resid 66   and name H   ))
 OR {   59}
   (( segid "    " and resid 83   and name HB3 ))
   (( segid "    " and resid 39   and name H   ))
 OR {   59}
   (( segid "    " and resid 83   and name HB3 ))
   (( segid "    " and resid 35   and name H   ))
 ASSI {   60}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 84   and name H   ))
      2.700     0.900     0.900 peak    60 spectrum    1 weight  0.10000E+01 volume  0.33870E-02 ppm1      1.946 ppm2      7.985 CV     1
 OR {   60}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 83   and name H   ))
 OR {   60}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 88   and name H   ))
 OR {   60}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 75   and name H   ))
 OR {   60}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 72   and name H   ))
 OR {   60}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 71   and name H   ))
 OR {   60}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 70   and name H   ))
 OR {   60}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 68   and name H   ))
 OR {   60}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 67   and name H   ))
 OR {   60}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 66   and name H   ))
 OR {   60}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 39   and name H   ))
 OR {   60}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 35   and name H   ))
 ASSI {   61}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 83   and name HB3 ))
      2.400     0.700     0.700 peak    61 spectrum    1 weight  0.10000E+01 volume  0.74014E-02 ppm1      2.517 ppm2      2.010 CV     1
 OR {   61}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 83   and name HB2 ))
 OR {   61}
   (( segid "    " and resid 83   and name HG2 ))
   (  segid "    " and resid 83   and name HE% )
 OR {   61}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 87   and name HB2 ))
 OR {   61}
   (( segid "    " and resid 83   and name HG2 ))
   (  segid "    " and resid 87   and name HE% )
 OR {   61}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 69   and name HB3 ))
 OR {   61}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 66   and name HB3 ))
 OR {   61}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {   61}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 63   and name HB2 ))
 OR {   61}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 59   and name HB2 ))
 OR {   61}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 59   and name HG2 ))
 OR {   61}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 59   and name HG3 ))
 OR {   61}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 57   and name HB3 ))
 OR {   61}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 56   and name HB2 ))
 OR {   61}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 12   and name HB3 ))
 OR {   61}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 33   and name HG3 ))
 OR {   61}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 33   and name HB2 ))
 OR {   61}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 30   and name HB2 ))
 OR {   61}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 4    and name HG3 ))
 OR {   61}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {   61}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 28   and name HB2 ))
 OR {   61}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 17   and name HG3 ))
 OR {   61}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 25   and name HB3 ))
 OR {   61}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 25   and name HB2 ))
 ASSI {   62}
   (( segid "    " and resid 83   and name HG3 ))
   (  segid "    " and resid 83   and name HE% )
      2.400     0.700     0.700 peak    62 spectrum    1 weight  0.10000E+01 volume  0.83232E-02 ppm1      2.436 ppm2      2.011 CV     1
 OR {   62}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 83   and name HB3 ))
 OR {   62}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 83   and name HB2 ))
 OR {   62}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 87   and name HB2 ))
 OR {   62}
   (( segid "    " and resid 83   and name HG3 ))
   (  segid "    " and resid 87   and name HE% )
 OR {   62}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 69   and name HB3 ))
 OR {   62}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 66   and name HB3 ))
 OR {   62}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {   62}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 63   and name HB2 ))
 OR {   62}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 59   and name HB2 ))
 OR {   62}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 59   and name HG2 ))
 OR {   62}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 59   and name HG3 ))
 OR {   62}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 57   and name HB3 ))
 OR {   62}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 56   and name HB2 ))
 OR {   62}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 12   and name HB3 ))
 OR {   62}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 33   and name HG3 ))
 OR {   62}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 33   and name HB2 ))
 OR {   62}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 30   and name HB2 ))
 OR {   62}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 4    and name HG3 ))
 OR {   62}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {   62}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 28   and name HB2 ))
 OR {   62}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 17   and name HG3 ))
 OR {   62}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 25   and name HB3 ))
 OR {   62}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 25   and name HB2 ))
 ASSI {   63}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 84   and name HB2 ))
      4.000     2.000     2.000 peak    63 spectrum    1 weight  0.10000E+01 volume  0.79956E-03 ppm1      2.441 ppm2      1.557 CV     1
 OR {   63}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 84   and name HB3 ))
 OR {   63}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 84   and name HG  ))
 OR {   63}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {   63}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 85   and name HG3 ))
 OR {   63}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 86   and name HD3 ))
 OR {   63}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 86   and name HD2 ))
 OR {   63}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 78   and name HD3 ))
 OR {   63}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 78   and name HD2 ))
 OR {   63}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 76   and name HG  ))
 OR {   63}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 76   and name HB2 ))
 OR {   63}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 72   and name HB3 ))
 OR {   63}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {   63}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {   63}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 70   and name HG2 ))
 OR {   63}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 70   and name HG3 ))
 OR {   63}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 61   and name HB3 ))
 OR {   63}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 47   and name HG  ))
 OR {   63}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 45   and name HG  ))
 OR {   63}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 45   and name HB3 ))
 OR {   63}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 52   and name HB  ))
 OR {   63}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 13   and name HG  ))
 OR {   63}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 31   and name HB2 ))
 OR {   63}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {   63}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {   63}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 3    and name HG  ))
 OR {   63}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 18   and name HB2 ))
 OR {   63}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {   63}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {   63}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {   63}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 22   and name HB3 ))
 OR {   63}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 21   and name HD2 ))
 OR {   63}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 21   and name HD3 ))
 ASSI {   64}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 84   and name HB2 ))
      4.900     3.000     1.100 peak    64 spectrum    1 weight  0.10000E+01 volume  0.71627E-03 ppm1      2.516 ppm2      1.527 CV     1
 OR {   64}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 84   and name HB3 ))
 OR {   64}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {   64}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 84   and name HG  ))
 OR {   64}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 85   and name HG3 ))
 OR {   64}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 76   and name HB3 ))
 OR {   64}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 76   and name HB2 ))
 OR {   64}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 72   and name HB3 ))
 OR {   64}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {   64}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {   64}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 70   and name HG2 ))
 OR {   64}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 70   and name HG3 ))
 OR {   64}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 61   and name HB3 ))
 OR {   64}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 47   and name HG  ))
 OR {   64}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 50   and name HG2 ))
 OR {   64}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 45   and name HG  ))
 OR {   64}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 52   and name HB  ))
 OR {   64}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 13   and name HG  ))
 OR {   64}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 15   and name HG2 ))
 OR {   64}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {   64}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 3    and name HB3 ))
 OR {   64}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {   64}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 3    and name HB2 ))
 OR {   64}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 3    and name HG  ))
 OR {   64}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 2    and name HB3 ))
 OR {   64}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 27   and name HG12))
 OR {   64}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 2    and name HB2 ))
 OR {   64}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 2    and name HG  ))
 OR {   64}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 18   and name HB2 ))
 OR {   64}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {   64}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {   64}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {   64}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 22   and name HB3 ))
 OR {   64}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 21   and name HD2 ))
 OR {   64}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 21   and name HD3 ))
 ASSI {   65}
   (( segid "    " and resid 83   and name HG2 ))
   (  segid "    " and resid 84   and name HD2%)
      5.100     3.300     0.900 peak    65 spectrum    1 weight  0.10000E+01 volume  0.87174E-03 ppm1      2.517 ppm2      0.742 CV     1
 OR {   65}
   (( segid "    " and resid 83   and name HG2 ))
   (  segid "    " and resid 84   and name HD1%)
 OR {   65}
   (( segid "    " and resid 83   and name HG2 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {   65}
   (( segid "    " and resid 83   and name HG2 ))
   (  segid "    " and resid 79   and name HD1%)
 OR {   65}
   (( segid "    " and resid 83   and name HG2 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {   65}
   (( segid "    " and resid 83   and name HG2 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {   65}
   (( segid "    " and resid 83   and name HG2 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {   65}
   (( segid "    " and resid 83   and name HG2 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {   65}
   (( segid "    " and resid 83   and name HG2 ))
   (  segid "    " and resid 47   and name HD2%)
 OR {   65}
   (( segid "    " and resid 83   and name HG2 ))
   (  segid "    " and resid 47   and name HD1%)
 OR {   65}
   (( segid "    " and resid 83   and name HG2 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {   65}
   (( segid "    " and resid 83   and name HG2 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {   65}
   (( segid "    " and resid 83   and name HG2 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {   65}
   (( segid "    " and resid 83   and name HG2 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {   65}
   (( segid "    " and resid 83   and name HG2 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {   65}
   (( segid "    " and resid 83   and name HG2 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {   65}
   (( segid "    " and resid 83   and name HG2 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {   65}
   (( segid "    " and resid 83   and name HG2 ))
   (  segid "    " and resid 26   and name HG2%)
 OR {   65}
   (( segid "    " and resid 83   and name HG2 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {   65}
   (( segid "    " and resid 83   and name HG2 ))
   (  segid "    " and resid 18   and name HD1%)
 OR {   65}
   (( segid "    " and resid 83   and name HG2 ))
   (  segid "    " and resid 22   and name HD1%)
 ASSI {   66}
   (( segid "    " and resid 83   and name HG3 ))
   (  segid "    " and resid 84   and name HD2%)
      4.200     2.200     1.800 peak    66 spectrum    1 weight  0.10000E+01 volume  0.10772E-02 ppm1      2.443 ppm2      0.745 CV     1
 OR {   66}
   (( segid "    " and resid 83   and name HG3 ))
   (  segid "    " and resid 84   and name HD1%)
 OR {   66}
   (( segid "    " and resid 83   and name HG3 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {   66}
   (( segid "    " and resid 83   and name HG3 ))
   (  segid "    " and resid 79   and name HD1%)
 OR {   66}
   (( segid "    " and resid 83   and name HG3 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {   66}
   (( segid "    " and resid 83   and name HG3 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {   66}
   (( segid "    " and resid 83   and name HG3 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {   66}
   (( segid "    " and resid 83   and name HG3 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {   66}
   (( segid "    " and resid 83   and name HG3 ))
   (  segid "    " and resid 47   and name HD2%)
 OR {   66}
   (( segid "    " and resid 83   and name HG3 ))
   (  segid "    " and resid 47   and name HD1%)
 OR {   66}
   (( segid "    " and resid 83   and name HG3 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {   66}
   (( segid "    " and resid 83   and name HG3 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {   66}
   (( segid "    " and resid 83   and name HG3 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {   66}
   (( segid "    " and resid 83   and name HG3 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {   66}
   (( segid "    " and resid 83   and name HG3 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {   66}
   (( segid "    " and resid 83   and name HG3 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {   66}
   (( segid "    " and resid 83   and name HG3 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {   66}
   (( segid "    " and resid 83   and name HG3 ))
   (  segid "    " and resid 26   and name HG2%)
 OR {   66}
   (( segid "    " and resid 83   and name HG3 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {   66}
   (( segid "    " and resid 83   and name HG3 ))
   (  segid "    " and resid 18   and name HD1%)
 OR {   66}
   (( segid "    " and resid 83   and name HG3 ))
   (  segid "    " and resid 22   and name HD1%)
 ASSI {   67}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 84   and name H   ))
      3.800     1.800     1.800 peak    67 spectrum    1 weight  0.10000E+01 volume  0.18379E-02 ppm1      2.514 ppm2      7.999 CV     1
 OR {   67}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 83   and name H   ))
 OR {   67}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 75   and name H   ))
 OR {   67}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 72   and name H   ))
 OR {   67}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 71   and name H   ))
 OR {   67}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 70   and name H   ))
 OR {   67}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 66   and name H   ))
 OR {   67}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 39   and name H   ))
 OR {   67}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 35   and name H   ))
 ASSI {   68}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 84   and name H   ))
      3.000     1.100     1.100 peak    68 spectrum    1 weight  0.10000E+01 volume  0.18434E-02 ppm1      2.439 ppm2      7.994 CV     1
 OR {   68}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 83   and name H   ))
 OR {   68}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 88   and name H   ))
 OR {   68}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 75   and name H   ))
 OR {   68}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 72   and name H   ))
 OR {   68}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 71   and name H   ))
 OR {   68}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 70   and name H   ))
 OR {   68}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 66   and name H   ))
 OR {   68}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 39   and name H   ))
 OR {   68}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 35   and name H   ))
 ASSI {   69}
   (  segid "    " and resid 83   and name HE% )
   (  segid "    " and resid 84   and name HD2%)
      3.300     1.300     1.300 peak    69 spectrum    1 weight  0.10000E+01 volume  0.62465E-02 ppm1      2.007 ppm2      0.774 CV     1
 OR {   69}
   (  segid "    " and resid 83   and name HE% )
   (  segid "    " and resid 84   and name HD1%)
 OR {   69}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 84   and name HD1%)
 OR {   69}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 84   and name HD2%)
 OR {   69}
   (  segid "    " and resid 83   and name HE% )
   (  segid "    " and resid 79   and name HD2%)
 OR {   69}
   (  segid "    " and resid 83   and name HE% )
   (  segid "    " and resid 76   and name HD1%)
 OR {   69}
   (  segid "    " and resid 83   and name HE% )
   (  segid "    " and resid 76   and name HD2%)
 OR {   69}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 79   and name HD2%)
 OR {   69}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 76   and name HD1%)
 OR {   69}
   (  segid "    " and resid 83   and name HE% )
   (  segid "    " and resid 72   and name HD1%)
 OR {   69}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 76   and name HD2%)
 OR {   69}
   (  segid "    " and resid 83   and name HE% )
   (  segid "    " and resid 72   and name HD2%)
 OR {   69}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 72   and name HD1%)
 OR {   69}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 72   and name HD2%)
 OR {   69}
   (  segid "    " and resid 83   and name HE% )
   (  segid "    " and resid 47   and name HD2%)
 OR {   69}
   (  segid "    " and resid 83   and name HE% )
   (  segid "    " and resid 47   and name HD1%)
 OR {   69}
   (  segid "    " and resid 83   and name HE% )
   (  segid "    " and resid 54   and name HD1%)
 OR {   69}
   (  segid "    " and resid 83   and name HE% )
   (  segid "    " and resid 44   and name HG2%)
 OR {   69}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 47   and name HD2%)
 OR {   69}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 47   and name HD1%)
 OR {   69}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 54   and name HD1%)
 OR {   69}
   (  segid "    " and resid 83   and name HE% )
   (  segid "    " and resid 40   and name HD2%)
 OR {   69}
   (  segid "    " and resid 83   and name HE% )
   (  segid "    " and resid 40   and name HD1%)
 OR {   69}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 44   and name HG2%)
 OR {   69}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 52   and name HG13))
 OR {   69}
   (  segid "    " and resid 83   and name HE% )
   (  segid "    " and resid 29   and name HG1%)
 OR {   69}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 40   and name HD2%)
 OR {   69}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 40   and name HD1%)
 OR {   69}
   (  segid "    " and resid 83   and name HE% )
   (  segid "    " and resid 27   and name HD1%)
 OR {   69}
   (  segid "    " and resid 83   and name HE% )
   (  segid "    " and resid 2    and name HD1%)
 OR {   69}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 52   and name HG13))
 OR {   69}
   (  segid "    " and resid 83   and name HE% )
   (  segid "    " and resid 2    and name HD2%)
 OR {   69}
   (  segid "    " and resid 83   and name HE% )
   (  segid "    " and resid 18   and name HD2%)
 OR {   69}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 29   and name HG1%)
 OR {   69}
   (  segid "    " and resid 83   and name HE% )
   (  segid "    " and resid 22   and name HD1%)
 OR {   69}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 27   and name HD1%)
 OR {   69}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 2    and name HD1%)
 OR {   69}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 2    and name HD2%)
 OR {   69}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 18   and name HD2%)
 OR {   69}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 22   and name HD1%)
 OR {   69}
   (  segid "    " and resid 83   and name HE% )
   (( segid "    " and resid 23   and name HB3 ))
 OR {   69}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 23   and name HB3 ))
 ASSI {   70}
   (  segid "    " and resid 83   and name HE% )
   (  segid "    " and resid 84   and name HD2%)
      3.400     1.500     1.500 peak    70 spectrum    1 weight  0.10000E+01 volume  0.44475E-02 ppm1      2.010 ppm2      0.705 CV     1
 OR {   70}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 84   and name HD2%)
 OR {   70}
   (  segid "    " and resid 83   and name HE% )
   (  segid "    " and resid 79   and name HD2%)
 OR {   70}
   (  segid "    " and resid 83   and name HE% )
   (  segid "    " and resid 79   and name HD1%)
 OR {   70}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 79   and name HD2%)
 OR {   70}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 79   and name HD1%)
 OR {   70}
   (  segid "    " and resid 83   and name HE% )
   (  segid "    " and resid 72   and name HD1%)
 OR {   70}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 72   and name HD1%)
 OR {   70}
   (  segid "    " and resid 83   and name HE% )
   (  segid "    " and resid 47   and name HD2%)
 OR {   70}
   (  segid "    " and resid 83   and name HE% )
   (  segid "    " and resid 47   and name HD1%)
 OR {   70}
   (  segid "    " and resid 83   and name HE% )
   (  segid "    " and resid 44   and name HG2%)
 OR {   70}
   (  segid "    " and resid 83   and name HE% )
   (  segid "    " and resid 52   and name HG2%)
 OR {   70}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 47   and name HD2%)
 OR {   70}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 47   and name HD1%)
 OR {   70}
   (  segid "    " and resid 83   and name HE% )
   (  segid "    " and resid 40   and name HD2%)
 OR {   70}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 44   and name HG2%)
 OR {   70}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 52   and name HG2%)
 OR {   70}
   (  segid "    " and resid 83   and name HE% )
   (  segid "    " and resid 31   and name HD1%)
 OR {   70}
   (  segid "    " and resid 83   and name HE% )
   (  segid "    " and resid 29   and name HG1%)
 OR {   70}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 40   and name HD2%)
 OR {   70}
   (  segid "    " and resid 83   and name HE% )
   (  segid "    " and resid 27   and name HD1%)
 OR {   70}
   (  segid "    " and resid 83   and name HE% )
   (  segid "    " and resid 26   and name HG2%)
 OR {   70}
   (  segid "    " and resid 83   and name HE% )
   (  segid "    " and resid 18   and name HD2%)
 OR {   70}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 31   and name HD1%)
 OR {   70}
   (  segid "    " and resid 83   and name HE% )
   (  segid "    " and resid 18   and name HD1%)
 OR {   70}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 29   and name HG1%)
 OR {   70}
   (  segid "    " and resid 83   and name HE% )
   (  segid "    " and resid 22   and name HD1%)
 OR {   70}
   (  segid "    " and resid 83   and name HE% )
   (  segid "    " and resid 22   and name HD2%)
 OR {   70}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 27   and name HD1%)
 OR {   70}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 26   and name HG2%)
 OR {   70}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 18   and name HD2%)
 OR {   70}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 18   and name HD1%)
 OR {   70}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 22   and name HD1%)
 OR {   70}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 22   and name HD2%)
 ASSI {   71}
   (  segid "    " and resid 83   and name HE% )
   (  segid "    " and resid 61   and name HD2%)
      2.200     0.600     0.600 peak    71 spectrum    1 weight  0.10000E+01 volume  0.16324E-02 ppm1      2.002 ppm2      0.330 CV     1
 OR {   71}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 61   and name HD2%)
 OR {   71}
   (  segid "    " and resid 83   and name HE% )
   (  segid "    " and resid 44   and name HG1%)
 OR {   71}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 44   and name HG1%)
 OR {   71}
   (  segid "    " and resid 83   and name HE% )
   (  segid "    " and resid 31   and name HD2%)
 OR {   71}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 31   and name HD2%)
 ASSI {   72}
   (( segid "    " and resid 82   and name HA3 ))
   (( segid "    " and resid 83   and name HA  ))
      3.800     1.800     1.800 peak    72 spectrum    1 weight  0.10000E+01 volume  0.11494E-02 ppm1      3.818 ppm2      4.396 CV     1
 OR {   72}
   (( segid "    " and resid 82   and name HA3 ))
   (( segid "    " and resid 81   and name HA  ))
 OR {   72}
   (( segid "    " and resid 82   and name HA2 ))
   (( segid "    " and resid 83   and name HA  ))
 OR {   72}
   (( segid "    " and resid 82   and name HA2 ))
   (( segid "    " and resid 81   and name HA  ))
 OR {   72}
   (( segid "    " and resid 82   and name HA3 ))
   (( segid "    " and resid 77   and name HA  ))
 OR {   72}
   (( segid "    " and resid 82   and name HA2 ))
   (( segid "    " and resid 77   and name HA  ))
 OR {   72}
   (( segid "    " and resid 82   and name HA2 ))
   (( segid "    " and resid 67   and name HA  ))
 OR {   72}
   (( segid "    " and resid 82   and name HA3 ))
   (( segid "    " and resid 67   and name HA  ))
 OR {   72}
   (( segid "    " and resid 82   and name HA2 ))
   (( segid "    " and resid 60   and name HA  ))
 OR {   72}
   (( segid "    " and resid 82   and name HA3 ))
   (( segid "    " and resid 60   and name HA  ))
 OR {   72}
   (( segid "    " and resid 82   and name HA2 ))
   (( segid "    " and resid 59   and name HA  ))
 OR {   72}
   (( segid "    " and resid 82   and name HA3 ))
   (( segid "    " and resid 59   and name HA  ))
 OR {   72}
   (( segid "    " and resid 82   and name HA2 ))
   (( segid "    " and resid 56   and name HA  ))
 OR {   72}
   (( segid "    " and resid 82   and name HA3 ))
   (( segid "    " and resid 56   and name HA  ))
 OR {   72}
   (( segid "    " and resid 82   and name HA2 ))
   (( segid "    " and resid 55   and name HA  ))
 OR {   72}
   (( segid "    " and resid 82   and name HA3 ))
   (( segid "    " and resid 55   and name HA  ))
 OR {   72}
   (( segid "    " and resid 82   and name HA3 ))
   (( segid "    " and resid 49   and name HA  ))
 OR {   72}
   (( segid "    " and resid 82   and name HA2 ))
   (( segid "    " and resid 49   and name HA  ))
 OR {   72}
   (( segid "    " and resid 82   and name HA2 ))
   (( segid "    " and resid 52   and name HA  ))
 OR {   72}
   (( segid "    " and resid 82   and name HA3 ))
   (( segid "    " and resid 52   and name HA  ))
 OR {   72}
   (( segid "    " and resid 82   and name HA3 ))
   (( segid "    " and resid 42   and name HA  ))
 OR {   72}
   (( segid "    " and resid 82   and name HA2 ))
   (( segid "    " and resid 42   and name HA  ))
 OR {   72}
   (( segid "    " and resid 82   and name HA2 ))
   (( segid "    " and resid 40   and name HA  ))
 OR {   72}
   (( segid "    " and resid 82   and name HA3 ))
   (( segid "    " and resid 40   and name HA  ))
 OR {   72}
   (( segid "    " and resid 82   and name HA2 ))
   (( segid "    " and resid 13   and name HA  ))
 OR {   72}
   (( segid "    " and resid 82   and name HA3 ))
   (( segid "    " and resid 13   and name HA  ))
 OR {   72}
   (( segid "    " and resid 82   and name HA3 ))
   (( segid "    " and resid 33   and name HA  ))
 OR {   72}
   (( segid "    " and resid 82   and name HA2 ))
   (( segid "    " and resid 33   and name HA  ))
 OR {   72}
   (( segid "    " and resid 82   and name HA2 ))
   (( segid "    " and resid 6    and name HA  ))
 OR {   72}
   (( segid "    " and resid 82   and name HA3 ))
   (( segid "    " and resid 6    and name HA  ))
 OR {   72}
   (( segid "    " and resid 82   and name HA2 ))
   (( segid "    " and resid 5    and name HA  ))
 OR {   72}
   (( segid "    " and resid 82   and name HA3 ))
   (( segid "    " and resid 5    and name HA  ))
 OR {   72}
   (( segid "    " and resid 82   and name HA2 ))
   (( segid "    " and resid 15   and name HA  ))
 OR {   72}
   (( segid "    " and resid 82   and name HA3 ))
   (( segid "    " and resid 15   and name HA  ))
 OR {   72}
   (( segid "    " and resid 82   and name HA2 ))
   (( segid "    " and resid 2    and name HA  ))
 OR {   72}
   (( segid "    " and resid 82   and name HA3 ))
   (( segid "    " and resid 2    and name HA  ))
 OR {   72}
   (( segid "    " and resid 82   and name HA2 ))
   (( segid "    " and resid 18   and name HA  ))
 OR {   72}
   (( segid "    " and resid 82   and name HA3 ))
   (( segid "    " and resid 18   and name HA  ))
 OR {   72}
   (( segid "    " and resid 82   and name HA3 ))
   (( segid "    " and resid 25   and name HA  ))
 OR {   72}
   (( segid "    " and resid 82   and name HA2 ))
   (( segid "    " and resid 25   and name HA  ))
 OR {   72}
   (( segid "    " and resid 82   and name HA2 ))
   (( segid "    " and resid 19   and name HA  ))
 OR {   72}
   (( segid "    " and resid 82   and name HA3 ))
   (( segid "    " and resid 19   and name HA  ))
 ASSI {   73}
   (( segid "    " and resid 82   and name HA2 ))
   (( segid "    " and resid 81   and name H   ))
      2.600     0.800     0.800 peak    73 spectrum    1 weight  0.10000E+01 volume  0.95502E-03 ppm1      3.835 ppm2      8.148 CV     1
 OR {   73}
   (( segid "    " and resid 82   and name HA3 ))
   (( segid "    " and resid 81   and name H   ))
 OR {   73}
   (( segid "    " and resid 82   and name HA3 ))
   (( segid "    " and resid 85   and name H   ))
 OR {   73}
   (( segid "    " and resid 82   and name HA2 ))
   (( segid "    " and resid 85   and name H   ))
 OR {   73}
   (( segid "    " and resid 82   and name HA2 ))
   (( segid "    " and resid 79   and name H   ))
 OR {   73}
   (( segid "    " and resid 82   and name HA3 ))
   (( segid "    " and resid 79   and name H   ))
 OR {   73}
   (( segid "    " and resid 82   and name HA3 ))
   (( segid "    " and resid 78   and name H   ))
 OR {   73}
   (( segid "    " and resid 82   and name HA2 ))
   (( segid "    " and resid 78   and name H   ))
 OR {   73}
   (( segid "    " and resid 82   and name HA2 ))
   (( segid "    " and resid 65   and name H   ))
 OR {   73}
   (( segid "    " and resid 82   and name HA3 ))
   (( segid "    " and resid 65   and name H   ))
 OR {   73}
   (( segid "    " and resid 82   and name HA2 ))
   (( segid "    " and resid 7    and name H   ))
 OR {   73}
   (( segid "    " and resid 82   and name HA3 ))
   (( segid "    " and resid 7    and name H   ))
 OR {   73}
   (( segid "    " and resid 82   and name HA2 ))
   (( segid "    " and resid 19   and name H   ))
 OR {   73}
   (( segid "    " and resid 82   and name HA3 ))
   (( segid "    " and resid 19   and name H   ))
 ASSI {   74}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 84   and name HB2 ))
      3.200     1.200     1.200 peak    74 spectrum    1 weight  0.10000E+01 volume  0.16713E-02 ppm1      4.431 ppm2      1.539 CV     1
 OR {   74}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 78   and name HD3 ))
 OR {   74}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 84   and name HB3 ))
 OR {   74}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 78   and name HD2 ))
 OR {   74}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 84   and name HG  ))
 OR {   74}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {   74}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 85   and name HG3 ))
 OR {   74}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 76   and name HB3 ))
 OR {   74}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 76   and name HG  ))
 OR {   74}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 76   and name HB2 ))
 OR {   74}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 72   and name HB3 ))
 OR {   74}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {   74}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {   74}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 70   and name HG2 ))
 OR {   74}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 70   and name HG3 ))
 OR {   74}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 61   and name HB3 ))
 OR {   74}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 47   and name HG  ))
 OR {   74}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 50   and name HG2 ))
 OR {   74}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 45   and name HG  ))
 OR {   74}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 52   and name HB  ))
 OR {   74}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 13   and name HG  ))
 OR {   74}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 15   and name HG2 ))
 OR {   74}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {   74}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 3    and name HB3 ))
 OR {   74}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {   74}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 3    and name HB2 ))
 OR {   74}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 3    and name HG  ))
 OR {   74}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 2    and name HB3 ))
 OR {   74}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 27   and name HG12))
 OR {   74}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 2    and name HB2 ))
 OR {   74}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 18   and name HB2 ))
 OR {   74}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {   74}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {   74}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {   74}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 22   and name HB3 ))
 OR {   74}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 21   and name HD2 ))
 OR {   74}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 21   and name HD3 ))
 ASSI {   75}
   (( segid "    " and resid 81   and name HA  ))
   (  segid "    " and resid 79   and name HD2%)
      3.400     1.400     1.400 peak    75 spectrum    1 weight  0.10000E+01 volume  0.13604E-02 ppm1      4.433 ppm2      0.793 CV     1
 OR {   75}
   (( segid "    " and resid 81   and name HA  ))
   (  segid "    " and resid 84   and name HD2%)
 OR {   75}
   (( segid "    " and resid 81   and name HA  ))
   (  segid "    " and resid 84   and name HD1%)
 OR {   75}
   (( segid "    " and resid 81   and name HA  ))
   (  segid "    " and resid 76   and name HD1%)
 OR {   75}
   (( segid "    " and resid 81   and name HA  ))
   (  segid "    " and resid 76   and name HD2%)
 OR {   75}
   (( segid "    " and resid 81   and name HA  ))
   (  segid "    " and resid 72   and name HD1%)
 OR {   75}
   (( segid "    " and resid 81   and name HA  ))
   (  segid "    " and resid 72   and name HD2%)
 OR {   75}
   (( segid "    " and resid 81   and name HA  ))
   (  segid "    " and resid 54   and name HD1%)
 OR {   75}
   (( segid "    " and resid 81   and name HA  ))
   (  segid "    " and resid 44   and name HG2%)
 OR {   75}
   (( segid "    " and resid 81   and name HA  ))
   (  segid "    " and resid 40   and name HD2%)
 OR {   75}
   (( segid "    " and resid 81   and name HA  ))
   (  segid "    " and resid 40   and name HD1%)
 OR {   75}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 52   and name HG13))
 OR {   75}
   (( segid "    " and resid 81   and name HA  ))
   (  segid "    " and resid 29   and name HG1%)
 OR {   75}
   (( segid "    " and resid 81   and name HA  ))
   (  segid "    " and resid 3    and name HD2%)
 OR {   75}
   (( segid "    " and resid 81   and name HA  ))
   (  segid "    " and resid 27   and name HD1%)
 OR {   75}
   (( segid "    " and resid 81   and name HA  ))
   (  segid "    " and resid 26   and name HG1%)
 OR {   75}
   (( segid "    " and resid 81   and name HA  ))
   (  segid "    " and resid 3    and name HD1%)
 OR {   75}
   (( segid "    " and resid 81   and name HA  ))
   (  segid "    " and resid 2    and name HD1%)
 OR {   75}
   (( segid "    " and resid 81   and name HA  ))
   (  segid "    " and resid 2    and name HD2%)
 OR {   75}
   (( segid "    " and resid 81   and name HA  ))
   (  segid "    " and resid 22   and name HD1%)
 OR {   75}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 23   and name HB3 ))
 ASSI {   76}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 82   and name H   ))
      2.800     1.000     1.000 peak    76 spectrum    1 weight  0.10000E+01 volume  0.33314E-02 ppm1      4.426 ppm2      8.421 CV     1
 OR {   76}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 87   and name H   ))
 OR {   76}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 55   and name H   ))
 OR {   76}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 49   and name H   ))
 OR {   76}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 43   and name H   ))
 OR {   76}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 41   and name H   ))
 OR {   76}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 38   and name H   ))
 OR {   76}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 33   and name H   ))
 OR {   76}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 6    and name H   ))
 OR {   76}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 18   and name H   ))
 OR {   76}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 2    and name H   ))
 ASSI {   77}
   (( segid "    " and resid 81   and name HB2 ))
   (  segid "    " and resid 61   and name HD1%)
      2.300     0.700     0.700 peak    77 spectrum    1 weight  0.10000E+01 volume  0.10050E-02 ppm1      3.079 ppm2      0.454 CV     1
 OR {   77}
   (( segid "    " and resid 81   and name HB2 ))
   (  segid "    " and resid 52   and name HD1%)
 OR {   77}
   (( segid "    " and resid 81   and name HB2 ))
   (  segid "    " and resid 44   and name HG1%)
 OR {   77}
   (( segid "    " and resid 81   and name HB2 ))
   (  segid "    " and resid 29   and name HG2%)
 OR {   77}
   (( segid "    " and resid 81   and name HB2 ))
   (  segid "    " and resid 23   and name HD1%)
 ASSI {   78}
   (( segid "    " and resid 14   and name HB3 ))
   (  segid "    " and resid 29   and name HG1%)
      3.400     1.400     1.400 peak    78 spectrum    1 weight  0.10000E+01 volume  0.35481E-02 ppm1      3.100 ppm2      0.777 CV     1
 OR {   78}
   (( segid "    " and resid 81   and name HB2 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {   78}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {   78}
   (( segid "    " and resid 14   and name HB3 ))
   (  segid "    " and resid 3    and name HD2%)
 OR {   78}
   (( segid "    " and resid 14   and name HB3 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {   78}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {   78}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 3    and name HD2%)
 OR {   78}
   (( segid "    " and resid 14   and name HB3 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {   78}
   (( segid "    " and resid 81   and name HB2 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {   78}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {   78}
   (( segid "    " and resid 14   and name HB3 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {   78}
   (( segid "    " and resid 81   and name HB2 ))
   (  segid "    " and resid 84   and name HD1%)
 OR {   78}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {   78}
   (( segid "    " and resid 14   and name HB3 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {   78}
   (( segid "    " and resid 14   and name HB3 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {   78}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {   78}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {   78}
   (( segid "    " and resid 81   and name HB2 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {   78}
   (( segid "    " and resid 14   and name HB3 ))
   (  segid "    " and resid 2    and name HD2%)
 OR {   78}
   (( segid "    " and resid 81   and name HB2 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {   78}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 2    and name HD2%)
 OR {   78}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 52   and name HG13))
 OR {   78}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 52   and name HG13))
 OR {   78}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {   78}
   (( segid "    " and resid 14   and name HB3 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {   78}
   (( segid "    " and resid 14   and name HB3 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {   78}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {   78}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {   78}
   (( segid "    " and resid 14   and name HB3 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {   78}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {   78}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {   78}
   (( segid "    " and resid 81   and name HB2 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {   78}
   (( segid "    " and resid 81   and name HB2 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {   78}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {   78}
   (( segid "    " and resid 14   and name HB3 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {   78}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {   78}
   (( segid "    " and resid 14   and name HB3 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {   78}
   (( segid "    " and resid 81   and name HB2 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {   78}
   (( segid "    " and resid 81   and name HB2 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {   78}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {   78}
   (( segid "    " and resid 14   and name HB3 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {   78}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {   78}
   (( segid "    " and resid 14   and name HB3 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {   78}
   (( segid "    " and resid 81   and name HB2 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {   78}
   (( segid "    " and resid 81   and name HB2 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {   78}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {   78}
   (( segid "    " and resid 14   and name HB3 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {   78}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 52   and name HG13))
 OR {   78}
   (( segid "    " and resid 81   and name HB2 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {   78}
   (( segid "    " and resid 81   and name HB2 ))
   (  segid "    " and resid 3    and name HD2%)
 OR {   78}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {   78}
   (( segid "    " and resid 81   and name HB2 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {   78}
   (( segid "    " and resid 14   and name HB3 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {   78}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 84   and name HD1%)
 OR {   78}
   (( segid "    " and resid 14   and name HB3 ))
   (  segid "    " and resid 84   and name HD1%)
 OR {   78}
   (( segid "    " and resid 81   and name HB2 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {   78}
   (( segid "    " and resid 81   and name HB2 ))
   (  segid "    " and resid 2    and name HD2%)
 OR {   78}
   (( segid "    " and resid 81   and name HB2 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {   78}
   (( segid "    " and resid 81   and name HB2 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {   78}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 23   and name HB3 ))
 ASSI {   79}
   (( segid "    " and resid 81   and name HB3 ))
   (  segid "    " and resid 79   and name HD2%)
      3.000     1.100     1.100 peak    79 spectrum    1 weight  0.10000E+01 volume  0.16047E-02 ppm1      2.883 ppm2      0.786 CV     1
 OR {   79}
   (( segid "    " and resid 81   and name HB3 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {   79}
   (( segid "    " and resid 81   and name HB3 ))
   (  segid "    " and resid 84   and name HD1%)
 OR {   79}
   (( segid "    " and resid 81   and name HB3 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {   79}
   (( segid "    " and resid 81   and name HB3 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {   79}
   (( segid "    " and resid 81   and name HB3 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {   79}
   (( segid "    " and resid 81   and name HB3 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {   79}
   (( segid "    " and resid 81   and name HB3 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {   79}
   (( segid "    " and resid 81   and name HB3 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {   79}
   (( segid "    " and resid 81   and name HB3 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {   79}
   (( segid "    " and resid 81   and name HB3 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {   79}
   (( segid "    " and resid 81   and name HB3 ))
   (( segid "    " and resid 52   and name HG13))
 OR {   79}
   (( segid "    " and resid 81   and name HB3 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {   79}
   (( segid "    " and resid 81   and name HB3 ))
   (  segid "    " and resid 3    and name HD2%)
 OR {   79}
   (( segid "    " and resid 81   and name HB3 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {   79}
   (( segid "    " and resid 81   and name HB3 ))
   (  segid "    " and resid 3    and name HD1%)
 OR {   79}
   (( segid "    " and resid 81   and name HB3 ))
   (  segid "    " and resid 26   and name HG1%)
 OR {   79}
   (( segid "    " and resid 81   and name HB3 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {   79}
   (( segid "    " and resid 81   and name HB3 ))
   (  segid "    " and resid 2    and name HD2%)
 OR {   79}
   (( segid "    " and resid 81   and name HB3 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {   79}
   (( segid "    " and resid 81   and name HB3 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {   79}
   (( segid "    " and resid 81   and name HB3 ))
   (( segid "    " and resid 23   and name HB3 ))
 ASSI {   80}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 31   and name HB3 ))
      3.900     1.900     1.900 peak    80 spectrum    1 weight  0.10000E+01 volume  0.15769E-02 ppm1      3.078 ppm2      1.231 CV     1
 OR {   80}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 31   and name HB3 ))
 OR {   80}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 16   and name HB3 ))
 OR {   80}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 16   and name HB3 ))
 OR {   80}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 16   and name HG3 ))
 OR {   80}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 16   and name HG3 ))
 OR {   80}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 16   and name HG2 ))
 OR {   80}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 16   and name HG2 ))
 OR {   80}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 34   and name HB% )
 OR {   80}
   (( segid "    " and resid 14   and name HB3 ))
   (  segid "    " and resid 34   and name HB% )
 OR {   80}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 40   and name HG  ))
 OR {   80}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 40   and name HG  ))
 OR {   80}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 40   and name HB3 ))
 OR {   80}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 40   and name HB3 ))
 OR {   80}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 18   and name HB3 ))
 OR {   80}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 18   and name HB3 ))
 OR {   80}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 52   and name HG12))
 OR {   80}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 52   and name HG12))
 OR {   80}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 54   and name HG2%)
 OR {   80}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 45   and name HB2 ))
 OR {   80}
   (( segid "    " and resid 14   and name HB3 ))
   (  segid "    " and resid 54   and name HG2%)
 OR {   80}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 45   and name HB2 ))
 OR {   80}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 21   and name HG3 ))
 OR {   80}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 50   and name HG3 ))
 OR {   80}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 21   and name HG3 ))
 OR {   80}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 54   and name HG12))
 OR {   80}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 54   and name HG13))
 OR {   80}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 54   and name HG12))
 OR {   80}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 54   and name HG13))
 OR {   80}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 50   and name HG3 ))
 OR {   80}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 61   and name HG  ))
 OR {   80}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 61   and name HG  ))
 OR {   80}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 71   and name HG2 ))
 OR {   80}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 71   and name HG2 ))
 OR {   80}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 79   and name HB3 ))
 OR {   80}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 79   and name HB3 ))
 ASSI {   81}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 84   and name HB2 ))
      3.300     1.300     1.300 peak    81 spectrum    1 weight  0.10000E+01 volume  0.14547E-02 ppm1      3.086 ppm2      1.558 CV     1
 OR {   81}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 78   and name HD3 ))
 OR {   81}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 84   and name HB3 ))
 OR {   81}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 78   and name HD2 ))
 OR {   81}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 84   and name HG  ))
 OR {   81}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {   81}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 85   and name HG3 ))
 OR {   81}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 76   and name HG  ))
 OR {   81}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 86   and name HD3 ))
 OR {   81}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 76   and name HB2 ))
 OR {   81}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 86   and name HD2 ))
 OR {   81}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 72   and name HB3 ))
 OR {   81}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {   81}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {   81}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 70   and name HG2 ))
 OR {   81}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 70   and name HG3 ))
 OR {   81}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 61   and name HB3 ))
 OR {   81}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 47   and name HG  ))
 OR {   81}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 45   and name HG  ))
 OR {   81}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 45   and name HB3 ))
 OR {   81}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 52   and name HB  ))
 OR {   81}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 13   and name HG  ))
 OR {   81}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 31   and name HB2 ))
 OR {   81}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {   81}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {   81}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 3    and name HG  ))
 OR {   81}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 18   and name HB2 ))
 OR {   81}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {   81}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {   81}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {   81}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 22   and name HB3 ))
 OR {   81}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 21   and name HD2 ))
 OR {   81}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 21   and name HD3 ))
 ASSI {   82}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 81   and name HB3 ))
      1.500     0.300     0.700 peak    82 spectrum    1 weight  0.10000E+01 volume  0.45231E-01 ppm1      3.082 ppm2      2.890 CV     1
 OR {   82}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 78   and name HE2 ))
 OR {   82}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 78   and name HE3 ))
 OR {   82}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 86   and name HE2 ))
 OR {   82}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 86   and name HE3 ))
 OR {   82}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 71   and name HE2 ))
 OR {   82}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 71   and name HE3 ))
 OR {   82}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 55   and name HB2 ))
 OR {   82}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 9    and name HB3 ))
 OR {   82}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 38   and name HB2 ))
 OR {   82}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 15   and name HD3 ))
 OR {   82}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 16   and name HE3 ))
 OR {   82}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 16   and name HE2 ))
 OR {   82}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 25   and name HE2 ))
 OR {   82}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 25   and name HE3 ))
 OR {   82}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 21   and name HE3 ))
 OR {   82}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 21   and name HE2 ))
 ASSI {   83}
   (( segid "    " and resid 81   and name HB3 ))
   (( segid "    " and resid 81   and name HB2 ))
      1.500     0.300     0.700 peak    83 spectrum    1 weight  0.10000E+01 volume  0.45947E-01 ppm1      2.890 ppm2      3.083 CV     1
 OR {   83}
   (( segid "    " and resid 81   and name HB3 ))
   (( segid "    " and resid 85   and name HD3 ))
 OR {   83}
   (( segid "    " and resid 81   and name HB3 ))
   (( segid "    " and resid 85   and name HD2 ))
 OR {   83}
   (( segid "    " and resid 81   and name HB3 ))
   (( segid "    " and resid 73   and name HB2 ))
 OR {   83}
   (( segid "    " and resid 81   and name HB3 ))
   (( segid "    " and resid 70   and name HD3 ))
 OR {   83}
   (( segid "    " and resid 81   and name HB3 ))
   (( segid "    " and resid 70   and name HD2 ))
 OR {   83}
   (( segid "    " and resid 81   and name HB3 ))
   (( segid "    " and resid 67   and name HB3 ))
 OR {   83}
   (( segid "    " and resid 81   and name HB3 ))
   (( segid "    " and resid 65   and name HB2 ))
 OR {   83}
   (( segid "    " and resid 81   and name HB3 ))
   (( segid "    " and resid 64   and name HB2 ))
 OR {   83}
   (( segid "    " and resid 81   and name HB3 ))
   (( segid "    " and resid 64   and name HB3 ))
 OR {   83}
   (( segid "    " and resid 81   and name HB3 ))
   (( segid "    " and resid 58   and name HB3 ))
 OR {   83}
   (( segid "    " and resid 81   and name HB3 ))
   (( segid "    " and resid 50   and name HD2 ))
 OR {   83}
   (( segid "    " and resid 81   and name HB3 ))
   (( segid "    " and resid 46   and name HB3 ))
 OR {   83}
   (( segid "    " and resid 81   and name HB3 ))
   (( segid "    " and resid 50   and name HD3 ))
 OR {   83}
   (( segid "    " and resid 81   and name HB3 ))
   (( segid "    " and resid 39   and name HB2 ))
 OR {   83}
   (( segid "    " and resid 81   and name HB3 ))
   (( segid "    " and resid 14   and name HB2 ))
 OR {   83}
   (( segid "    " and resid 81   and name HB3 ))
   (( segid "    " and resid 14   and name HB3 ))
 OR {   83}
   (( segid "    " and resid 81   and name HB3 ))
   (( segid "    " and resid 1    and name HB3 ))
 OR {   83}
   (( segid "    " and resid 81   and name HB3 ))
   (( segid "    " and resid 1    and name HB2 ))
 OR {   83}
   (( segid "    " and resid 81   and name HB3 ))
   (( segid "    " and resid 24   and name HD3 ))
 ASSI {   84}
   (( segid "    " and resid 81   and name HB3 ))
   (( segid "    " and resid 82   and name HA2 ))
      4.100     2.100     1.900 peak    84 spectrum    1 weight  0.10000E+01 volume  0.10716E-02 ppm1      2.889 ppm2      3.824 CV     1
 OR {   84}
   (( segid "    " and resid 81   and name HB3 ))
   (( segid "    " and resid 82   and name HA3 ))
 OR {   84}
   (( segid "    " and resid 81   and name HB3 ))
   (( segid "    " and resid 34   and name HA  ))
 OR {   84}
   (( segid "    " and resid 81   and name HB3 ))
   (( segid "    " and resid 36   and name HA2 ))
 OR {   84}
   (( segid "    " and resid 81   and name HB3 ))
   (( segid "    " and resid 6    and name HB2 ))
 OR {   84}
   (( segid "    " and resid 81   and name HB3 ))
   (( segid "    " and resid 6    and name HB3 ))
 OR {   84}
   (( segid "    " and resid 81   and name HB3 ))
   (( segid "    " and resid 4    and name HD3 ))
 OR {   84}
   (( segid "    " and resid 81   and name HB3 ))
   (( segid "    " and resid 19   and name HB3 ))
 OR {   84}
   (( segid "    " and resid 81   and name HB3 ))
   (( segid "    " and resid 21   and name HA  ))
 ASSI {   85}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 79   and name HA  ))
      3.600     1.600     1.600 peak    85 spectrum    1 weight  0.10000E+01 volume  0.11993E-02 ppm1      2.616 ppm2      4.256 CV     1
 OR {   85}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 11   and name HB  ))
 OR {   85}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 11   and name HA  ))
 OR {   85}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 8    and name HA  ))
 OR {   85}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 78   and name HA  ))
 OR {   85}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 7    and name HA  ))
 OR {   85}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 37   and name HA  ))
 OR {   85}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 84   and name HA  ))
 OR {   85}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 75   and name HA  ))
 OR {   85}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 85   and name HA  ))
 OR {   85}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 16   and name HA  ))
 OR {   85}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 86   and name HA  ))
 OR {   85}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 27   and name HA  ))
 OR {   85}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 72   and name HA  ))
 OR {   85}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 64   and name HA  ))
 OR {   85}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 64   and name HA  ))
 OR {   85}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 72   and name HA  ))
 OR {   85}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 75   and name HA  ))
 OR {   85}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 78   and name HA  ))
 OR {   85}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 79   and name HA  ))
 OR {   85}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 11   and name HB  ))
 OR {   85}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 11   and name HA  ))
 OR {   85}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 8    and name HA  ))
 OR {   85}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 7    and name HA  ))
 OR {   85}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 37   and name HA  ))
 OR {   85}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 84   and name HA  ))
 OR {   85}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 85   and name HA  ))
 OR {   85}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 16   and name HA  ))
 OR {   85}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 86   and name HA  ))
 OR {   85}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 27   and name HA  ))
 ASSI {   86}
   (( segid "    " and resid 80   and name HB2 ))
   (  segid "    " and resid 79   and name HD2%)
      4.300     2.300     1.700 peak    86 spectrum    1 weight  0.10000E+01 volume  0.11327E-02 ppm1      2.628 ppm2      0.752 CV     1
 OR {   86}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {   86}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {   86}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {   86}
   (( segid "    " and resid 80   and name HB2 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {   86}
   (( segid "    " and resid 80   and name HB2 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {   86}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {   86}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {   86}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 47   and name HD1%)
 OR {   86}
   (( segid "    " and resid 80   and name HB2 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {   86}
   (( segid "    " and resid 80   and name HB2 ))
   (  segid "    " and resid 84   and name HD1%)
 OR {   86}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 47   and name HD2%)
 OR {   86}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {   86}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {   86}
   (( segid "    " and resid 80   and name HB2 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {   86}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {   86}
   (( segid "    " and resid 80   and name HB2 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {   86}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 18   and name HD1%)
 OR {   86}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {   86}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {   86}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {   86}
   (( segid "    " and resid 80   and name HB2 ))
   (  segid "    " and resid 47   and name HD2%)
 OR {   86}
   (( segid "    " and resid 80   and name HB2 ))
   (  segid "    " and resid 47   and name HD1%)
 OR {   86}
   (( segid "    " and resid 80   and name HB2 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {   86}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {   86}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {   86}
   (( segid "    " and resid 80   and name HB2 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {   86}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {   86}
   (( segid "    " and resid 80   and name HB2 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {   86}
   (( segid "    " and resid 80   and name HB2 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {   86}
   (( segid "    " and resid 80   and name HB2 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {   86}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {   86}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 84   and name HD1%)
 OR {   86}
   (( segid "    " and resid 80   and name HB2 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {   86}
   (( segid "    " and resid 80   and name HB2 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {   86}
   (( segid "    " and resid 80   and name HB2 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {   86}
   (( segid "    " and resid 80   and name HB2 ))
   (  segid "    " and resid 18   and name HD1%)
 OR {   86}
   (( segid "    " and resid 80   and name HB2 ))
   (  segid "    " and resid 22   and name HD1%)
 ASSI {   87}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 79   and name HD2%)
      2.100     0.600     0.600 peak    87 spectrum    1 weight  0.10000E+01 volume  0.11777E-01 ppm1      1.433 ppm2      0.722 CV     1
 OR {   87}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 79   and name HD1%)
 OR {   87}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {   87}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {   87}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {   87}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 47   and name HD2%)
 OR {   87}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 47   and name HD1%)
 OR {   87}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {   87}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {   87}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {   87}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {   87}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {   87}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {   87}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 26   and name HG2%)
 OR {   87}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {   87}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {   87}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 18   and name HD1%)
 OR {   87}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {   87}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 22   and name HD2%)
 ASSI {   88}
   (( segid "    " and resid 79   and name HB3 ))
   (  segid "    " and resid 79   and name HD1%)
      2.700     0.900     0.900 peak    88 spectrum    1 weight  0.10000E+01 volume  0.97779E-02 ppm1      1.246 ppm2      0.702 CV     1
 OR {   88}
   (( segid "    " and resid 79   and name HB3 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {   88}
   (( segid "    " and resid 79   and name HB3 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {   88}
   (( segid "    " and resid 79   and name HB3 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {   88}
   (( segid "    " and resid 79   and name HB3 ))
   (  segid "    " and resid 47   and name HD2%)
 OR {   88}
   (( segid "    " and resid 79   and name HB3 ))
   (  segid "    " and resid 47   and name HD1%)
 OR {   88}
   (( segid "    " and resid 79   and name HB3 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {   88}
   (( segid "    " and resid 79   and name HB3 ))
   (  segid "    " and resid 52   and name HG2%)
 OR {   88}
   (( segid "    " and resid 79   and name HB3 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {   88}
   (( segid "    " and resid 79   and name HB3 ))
   (  segid "    " and resid 31   and name HD1%)
 OR {   88}
   (( segid "    " and resid 79   and name HB3 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {   88}
   (( segid "    " and resid 79   and name HB3 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {   88}
   (( segid "    " and resid 79   and name HB3 ))
   (  segid "    " and resid 26   and name HG2%)
 OR {   88}
   (( segid "    " and resid 79   and name HB3 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {   88}
   (( segid "    " and resid 79   and name HB3 ))
   (  segid "    " and resid 18   and name HD1%)
 OR {   88}
   (( segid "    " and resid 79   and name HB3 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {   88}
   (( segid "    " and resid 79   and name HB3 ))
   (  segid "    " and resid 22   and name HD2%)
 ASSI {   90}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 12   and name HG2 ))
      3.100     1.200     1.200 peak    90 spectrum    1 weight  0.10000E+01 volume  0.17990E-02 ppm1      0.730 ppm2      2.237 CV     1
 OR {   90}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 12   and name HG3 ))
 OR {   90}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 41   and name HG2 ))
 OR {   90}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 77   and name HB3 ))
 OR {   90}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 5    and name HB2 ))
 OR {   90}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 17   and name HB2 ))
 OR {   90}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 33   and name HG2 ))
 OR {   90}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 54   and name HB  ))
 OR {   90}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 4    and name HB3 ))
 OR {   90}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 32   and name HG2 ))
 OR {   90}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 30   and name HG2 ))
 OR {   90}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 28   and name HG2 ))
 OR {   90}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 30   and name HG2 ))
 OR {   90}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 28   and name HG2 ))
 OR {   90}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 49   and name HB2 ))
 OR {   90}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 4    and name HB3 ))
 OR {   90}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 49   and name HG3 ))
 OR {   90}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 49   and name HG2 ))
 OR {   90}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 17   and name HB2 ))
 OR {   90}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 5    and name HB2 ))
 OR {   90}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 32   and name HG2 ))
 OR {   90}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 33   and name HG2 ))
 OR {   90}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 12   and name HG3 ))
 OR {   90}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 12   and name HG2 ))
 OR {   90}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 69   and name HG3 ))
 OR {   90}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 41   and name HG2 ))
 OR {   90}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 54   and name HB  ))
 OR {   90}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 66   and name HG3 ))
 OR {   90}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 49   and name HB2 ))
 OR {   90}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 49   and name HG3 ))
 OR {   90}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 63   and name HG3 ))
 OR {   90}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 49   and name HG2 ))
 OR {   90}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 63   and name HG2 ))
 OR {   90}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 63   and name HG2 ))
 OR {   90}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 63   and name HG3 ))
 OR {   90}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 66   and name HG3 ))
 OR {   90}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 69   and name HG3 ))
 OR {   90}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 63   and name HG3 ))
 OR {   90}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 63   and name HG2 ))
 OR {   90}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 49   and name HG2 ))
 OR {   90}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 49   and name HG3 ))
 OR {   90}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 49   and name HB2 ))
 OR {   90}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 66   and name HG3 ))
 OR {   90}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 54   and name HB  ))
 OR {   90}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 77   and name HB3 ))
 OR {   90}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 69   and name HG3 ))
 OR {   90}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 41   and name HG2 ))
 OR {   90}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 12   and name HG2 ))
 OR {   90}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 12   and name HG3 ))
 OR {   90}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 33   and name HG2 ))
 OR {   90}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 32   and name HG2 ))
 OR {   90}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 5    and name HB2 ))
 OR {   90}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 30   and name HG2 ))
 OR {   90}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 4    and name HB3 ))
 OR {   90}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 28   and name HG2 ))
 OR {   90}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 17   and name HB2 ))
 OR {   90}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 77   and name HB3 ))
 ASSI {   91}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 81   and name HB2 ))
      3.200     1.300     1.300 peak    91 spectrum    1 weight  0.10000E+01 volume  0.18935E-02 ppm1      0.733 ppm2      3.085 CV     1
 OR {   91}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 85   and name HD3 ))
 OR {   91}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 85   and name HD2 ))
 OR {   91}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 73   and name HB2 ))
 OR {   91}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 70   and name HD3 ))
 OR {   91}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 70   and name HD2 ))
 OR {   91}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 67   and name HB3 ))
 OR {   91}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 65   and name HB2 ))
 OR {   91}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 64   and name HB2 ))
 OR {   91}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 64   and name HB3 ))
 OR {   91}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 58   and name HB3 ))
 OR {   91}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 50   and name HD2 ))
 OR {   91}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 46   and name HB3 ))
 OR {   91}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 50   and name HD3 ))
 OR {   91}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 39   and name HB2 ))
 OR {   91}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 14   and name HB2 ))
 OR {   91}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 14   and name HB3 ))
 OR {   91}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 1    and name HB3 ))
 OR {   91}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 1    and name HB2 ))
 OR {   91}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 24   and name HD3 ))
 ASSI {   92}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 80   and name HD22))
      5.100     3.300     0.900 peak    92 spectrum    1 weight  0.10000E+01 volume  0.12049E-02 ppm1      0.728 ppm2      6.861 CV     1
 OR {   92}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 12   and name HE21))
 OR {   92}
   (  segid "    " and resid 22   and name HD1%)
   (  segid "    " and resid 43   and name HD% )
 OR {   92}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 49   and name HE22))
 OR {   92}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 65   and name HZ  ))
 OR {   92}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 64   and name HH2 ))
 OR {   92}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 64   and name HD1 ))
 OR {   92}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 63   and name HE22))
 OR {   92}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 57   and name HE22))
 OR {   92}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 57   and name HE22))
 OR {   92}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 64   and name HD1 ))
 OR {   92}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 63   and name HE22))
 OR {   92}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 64   and name HH2 ))
 OR {   92}
   (  segid "    " and resid 79   and name HD2%)
   (  segid "    " and resid 43   and name HD% )
 OR {   92}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 65   and name HZ  ))
 OR {   92}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 49   and name HE22))
 OR {   92}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 12   and name HE21))
 OR {   92}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 80   and name HD22))
 ASSI {   93}
   (  segid "    " and resid 79   and name HD2%)
   (  segid "    " and resid 81   and name HD% )
      3.000     1.100     1.100 peak    93 spectrum    1 weight  0.10000E+01 volume  0.44919E-02 ppm1      0.727 ppm2      7.080 CV     1
 OR {   93}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 73   and name HD2 ))
 OR {   93}
   (  segid "    " and resid 79   and name HD2%)
   (  segid "    " and resid 65   and name HE% )
 OR {   93}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 67   and name HD2 ))
 OR {   93}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 58   and name HD22))
 OR {   93}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 55   and name HD2 ))
 OR {   93}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 50   and name HE  ))
 OR {   93}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 43   and name HZ  ))
 OR {   93}
   (  segid "    " and resid 79   and name HD2%)
   (  segid "    " and resid 14   and name HD% )
 OR {   93}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 40   and name H   ))
 OR {   93}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 39   and name HD2 ))
 OR {   93}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 32   and name HE22))
 OR {   93}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 15   and name HE  ))
 ASSI {   94}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 24   and name H   ))
      4.300     2.300     1.700 peak    94 spectrum    1 weight  0.10000E+01 volume  0.10938E-02 ppm1      0.742 ppm2      7.663 CV     1
 OR {   94}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 25   and name H   ))
 OR {   94}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 41   and name HE21))
 OR {   94}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 25   and name H   ))
 OR {   94}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 24   and name H   ))
 OR {   94}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 64   and name H   ))
 OR {   94}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 41   and name HE21))
 OR {   94}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 62   and name H   ))
 OR {   94}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 62   and name H   ))
 OR {   94}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 64   and name H   ))
 OR {   94}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 64   and name H   ))
 OR {   94}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 62   and name H   ))
 OR {   94}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 62   and name H   ))
 OR {   94}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 41   and name HE21))
 OR {   94}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 64   and name H   ))
 OR {   94}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 41   and name HE21))
 OR {   94}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 25   and name H   ))
 OR {   94}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 24   and name H   ))
 OR {   94}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 25   and name H   ))
 OR {   94}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 24   and name H   ))
 ASSI {   95}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 21   and name H   ))
      2.300     0.700     0.700 peak    95 spectrum    1 weight  0.10000E+01 volume  0.11049E-02 ppm1      0.726 ppm2      7.884 CV     1
 OR {   95}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 32   and name HE21))
 OR {   95}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 32   and name HE21))
 OR {   95}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 88   and name H   ))
 OR {   95}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 21   and name H   ))
 OR {   95}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 68   and name H   ))
 OR {   95}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 67   and name H   ))
 OR {   95}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 63   and name H   ))
 OR {   95}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 63   and name H   ))
 OR {   95}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 67   and name H   ))
 OR {   95}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 68   and name H   ))
 OR {   95}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 63   and name H   ))
 OR {   95}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 67   and name H   ))
 OR {   95}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 68   and name H   ))
 OR {   95}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 32   and name HE21))
 OR {   95}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 88   and name H   ))
 OR {   95}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 21   and name H   ))
 OR {   95}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 88   and name H   ))
 ASSI {   96}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 80   and name H   ))
      3.100     1.200     1.200 peak    96 spectrum    1 weight  0.10000E+01 volume  0.12660E-02 ppm1      0.730 ppm2      8.237 CV     1
 OR {   96}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 81   and name H   ))
 OR {   96}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 78   and name H   ))
 OR {   96}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 76   and name H   ))
 OR {   96}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 86   and name H   ))
 OR {   96}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 74   and name H   ))
 OR {   96}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 73   and name H   ))
 OR {   96}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 58   and name H   ))
 OR {   96}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 9    and name H   ))
 OR {   96}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 8    and name H   ))
 OR {   96}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 7    and name H   ))
 OR {   96}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 3    and name H   ))
 ASSI {   97}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 79   and name H   ))
      4.100     2.100     1.900 peak    97 spectrum    1 weight  0.10000E+01 volume  0.15936E-02 ppm1      0.731 ppm2      8.117 CV     1
 OR {   97}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 84   and name H   ))
 OR {   97}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 85   and name H   ))
 OR {   97}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 65   and name H   ))
 OR {   97}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 7    and name H   ))
 OR {   97}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 19   and name H   ))
 ASSI {   98}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 41   and name H   ))
      3.600     1.600     1.600 peak    98 spectrum    1 weight  0.10000E+01 volume  0.23209E-02 ppm1      0.730 ppm2      8.446 CV     1
 OR {   98}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 82   and name H   ))
 OR {   98}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 38   and name H   ))
 OR {   98}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 43   and name H   ))
 OR {   98}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 37   and name H   ))
 OR {   98}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 18   and name H   ))
 OR {   98}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 2    and name H   ))
 OR {   98}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 33   and name H   ))
 OR {   98}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 55   and name H   ))
 OR {   98}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 49   and name H   ))
 OR {   98}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 2    and name H   ))
 OR {   98}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 18   and name H   ))
 OR {   98}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 87   and name H   ))
 OR {   98}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 33   and name H   ))
 OR {   98}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 37   and name H   ))
 OR {   98}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 38   and name H   ))
 OR {   98}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 43   and name H   ))
 OR {   98}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 41   and name H   ))
 OR {   98}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 49   and name H   ))
 OR {   98}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 55   and name H   ))
 OR {   98}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 55   and name H   ))
 OR {   98}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 49   and name H   ))
 OR {   98}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 43   and name H   ))
 OR {   98}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 41   and name H   ))
 OR {   98}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 38   and name H   ))
 OR {   98}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 37   and name H   ))
 OR {   98}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 82   and name H   ))
 OR {   98}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 33   and name H   ))
 OR {   98}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 18   and name H   ))
 OR {   98}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 2    and name H   ))
 OR {   98}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 87   and name H   ))
 OR {   98}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 82   and name H   ))
 OR {   98}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 87   and name H   ))
 ASSI {  101}
   (  segid "    " and resid 79   and name HD1%)
   (  segid "    " and resid 81   and name HD% )
      3.300     1.300     1.300 peak   101 spectrum    1 weight  0.10000E+01 volume  0.28317E-02 ppm1      0.673 ppm2      7.145 CV     1
 OR {  101}
   (  segid "    " and resid 79   and name HD1%)
   (  segid "    " and resid 81   and name HE% )
 OR {  101}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 73   and name HD2 ))
 OR {  101}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 85   and name HE  ))
 OR {  101}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 70   and name HE  ))
 OR {  101}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 67   and name HD2 ))
 OR {  101}
   (  segid "    " and resid 79   and name HD1%)
   (  segid "    " and resid 65   and name HD% )
 OR {  101}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 58   and name HD22))
 OR {  101}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 55   and name HD2 ))
 OR {  101}
   (  segid "    " and resid 79   and name HD1%)
   (  segid "    " and resid 43   and name HE% )
 OR {  101}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 50   and name HE  ))
 OR {  101}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 39   and name HD2 ))
 OR {  101}
   (  segid "    " and resid 79   and name HD1%)
   (  segid "    " and resid 1    and name HD% )
 OR {  101}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 26   and name H   ))
 ASSI {  102}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 83   and name HB3 ))
      3.400     1.500     1.500 peak   102 spectrum    1 weight  0.10000E+01 volume  0.12215E-02 ppm1      0.674 ppm2      1.991 CV     1
 OR {  102}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 83   and name HB2 ))
 OR {  102}
   (  segid "    " and resid 79   and name HD1%)
   (  segid "    " and resid 83   and name HE% )
 OR {  102}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 87   and name HB3 ))
 OR {  102}
   (  segid "    " and resid 79   and name HD1%)
   (  segid "    " and resid 87   and name HE% )
 OR {  102}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 69   and name HB2 ))
 OR {  102}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 69   and name HB3 ))
 OR {  102}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 66   and name HB3 ))
 OR {  102}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 66   and name HB2 ))
 OR {  102}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 63   and name HB3 ))
 OR {  102}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 63   and name HB2 ))
 OR {  102}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 59   and name HB2 ))
 OR {  102}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 59   and name HG2 ))
 OR {  102}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 57   and name HB3 ))
 OR {  102}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 56   and name HB2 ))
 OR {  102}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 49   and name HB3 ))
 OR {  102}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 44   and name HB  ))
 OR {  102}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 12   and name HB3 ))
 OR {  102}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 33   and name HB2 ))
 OR {  102}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 5    and name HG2 ))
 OR {  102}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 30   and name HB2 ))
 OR {  102}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 5    and name HG3 ))
 OR {  102}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 4    and name HG3 ))
 OR {  102}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 4    and name HG2 ))
 OR {  102}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 28   and name HB2 ))
 OR {  102}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 17   and name HG3 ))
 OR {  102}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 25   and name HB3 ))
 OR {  102}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 25   and name HB2 ))
 ASSI {  103}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 77   and name HG3 ))
      2.400     0.700     0.700 peak   103 spectrum    1 weight  0.10000E+01 volume  0.17435E-02 ppm1      0.674 ppm2      1.888 CV     1
 OR {  103}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 77   and name HG2 ))
 OR {  103}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 83   and name HB2 ))
 OR {  103}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 87   and name HB3 ))
 OR {  103}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 69   and name HB2 ))
 OR {  103}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 68   and name HB2 ))
 OR {  103}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 68   and name HG2 ))
 OR {  103}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 66   and name HB2 ))
 OR {  103}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 63   and name HB2 ))
 OR {  103}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 56   and name HB3 ))
 OR {  103}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 47   and name HB3 ))
 OR {  103}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 49   and name HB3 ))
 OR {  103}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 50   and name HB3 ))
 OR {  103}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 44   and name HB  ))
 OR {  103}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 41   and name HG3 ))
 OR {  103}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 12   and name HB2 ))
 OR {  103}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 13   and name HB3 ))
 OR {  103}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 32   and name HB2 ))
 OR {  103}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 5    and name HG2 ))
 OR {  103}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 15   and name HB3 ))
 OR {  103}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 5    and name HB3 ))
 OR {  103}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 5    and name HG3 ))
 OR {  103}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 4    and name HB2 ))
 OR {  103}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 28   and name HB3 ))
 OR {  103}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 4    and name HG3 ))
 OR {  103}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 17   and name HG2 ))
 OR {  103}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 24   and name HB2 ))
 ASSI {  104}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 79   and name H   ))
      2.000     0.500     0.500 peak   104 spectrum    1 weight  0.10000E+01 volume  0.21049E-01 ppm1      4.203 ppm2      8.097 CV     1
 OR {  104}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 84   and name H   ))
 OR {  104}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 85   and name H   ))
 OR {  104}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 70   and name H   ))
 OR {  104}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 65   and name H   ))
 OR {  104}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 19   and name H   ))
 ASSI {  105}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name H   ))
      2.500     0.800     0.800 peak   105 spectrum    1 weight  0.10000E+01 volume  0.66631E-02 ppm1      4.204 ppm2      8.218 CV     1
 OR {  105}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 80   and name H   ))
 OR {  105}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 76   and name H   ))
 OR {  105}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 81   and name H   ))
 OR {  105}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 73   and name H   ))
 OR {  105}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 86   and name H   ))
 OR {  105}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 58   and name H   ))
 OR {  105}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 9    and name H   ))
 OR {  105}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 8    and name H   ))
 OR {  105}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 7    and name H   ))
 OR {  105}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 3    and name H   ))
 ASSI {  106}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HB2 ))
      2.100     0.500     0.500 peak   106 spectrum    1 weight  0.10000E+01 volume  0.14681E-01 ppm1      4.204 ppm2      1.713 CV     1
 OR {  106}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 86   and name HB2 ))
 OR {  106}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HB3 ))
 OR {  106}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 86   and name HB3 ))
 OR {  106}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 77   and name HB2 ))
 OR {  106}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 85   and name HB2 ))
 OR {  106}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 85   and name HB3 ))
 OR {  106}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 29   and name HB  ))
 OR {  106}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 33   and name HB3 ))
 OR {  106}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
 OR {  106}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 17   and name HB3 ))
 OR {  106}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 18   and name HG  ))
 OR {  106}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 25   and name HD3 ))
 OR {  106}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 24   and name HB3 ))
 OR {  106}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {  106}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 24   and name HG3 ))
 OR {  106}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 24   and name HG2 ))
 OR {  106}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 85   and name HB3 ))
 OR {  106}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 85   and name HB2 ))
 OR {  106}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 71   and name HB3 ))
 OR {  106}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
 OR {  106}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 21   and name HB3 ))
 OR {  106}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 21   and name HB2 ))
 OR {  106}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 78   and name HB2 ))
 OR {  106}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 86   and name HB2 ))
 OR {  106}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 78   and name HB3 ))
 OR {  106}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 86   and name HB3 ))
 OR {  106}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 70   and name HB3 ))
 OR {  106}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 56   and name HG3 ))
 OR {  106}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 70   and name HB2 ))
 OR {  106}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 77   and name HB2 ))
 OR {  106}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 68   and name HG3 ))
 OR {  106}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 68   and name HB3 ))
 OR {  106}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 71   and name HB3 ))
 OR {  106}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
 OR {  106}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 70   and name HB3 ))
 OR {  106}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 70   and name HB2 ))
 OR {  106}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 68   and name HG3 ))
 OR {  106}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 68   and name HB3 ))
 OR {  106}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 68   and name HB3 ))
 OR {  106}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 68   and name HG3 ))
 OR {  106}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 70   and name HB2 ))
 OR {  106}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 56   and name HG3 ))
 OR {  106}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 70   and name HB3 ))
 OR {  106}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
 OR {  106}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 71   and name HB3 ))
 OR {  106}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {  106}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 77   and name HB2 ))
 OR {  106}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 56   and name HG3 ))
 OR {  106}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 33   and name HB3 ))
 OR {  106}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 78   and name HB3 ))
 OR {  106}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 78   and name HB2 ))
 OR {  106}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {  106}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 29   and name HB  ))
 OR {  106}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
 OR {  106}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 17   and name HB3 ))
 OR {  106}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 18   and name HG  ))
 OR {  106}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 25   and name HD3 ))
 OR {  106}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 24   and name HB3 ))
 OR {  106}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 24   and name HG2 ))
 OR {  106}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 24   and name HG3 ))
 OR {  106}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 85   and name HB3 ))
 OR {  106}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 85   and name HB2 ))
 OR {  106}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 21   and name HB3 ))
 OR {  106}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 33   and name HB3 ))
 OR {  106}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 21   and name HB2 ))
 OR {  106}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 86   and name HB2 ))
 OR {  106}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 86   and name HB3 ))
 OR {  106}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 29   and name HB  ))
 OR {  106}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
 OR {  106}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 17   and name HB3 ))
 OR {  106}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 18   and name HG  ))
 OR {  106}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 25   and name HD3 ))
 OR {  106}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 24   and name HB3 ))
 OR {  106}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 24   and name HG2 ))
 OR {  106}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 24   and name HG3 ))
 OR {  106}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 21   and name HB3 ))
 OR {  106}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 21   and name HB2 ))
 ASSI {  108}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HG3 ))
      1.900     0.500     0.500 peak   108 spectrum    1 weight  0.10000E+01 volume  0.20843E-01 ppm1      1.671 ppm2      1.312 CV     1
 OR {  108}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 78   and name HG2 ))
 OR {  108}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 86   and name HG2 ))
 OR {  108}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 71   and name HG3 ))
 OR {  108}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HG2 ))
 OR {  108}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 71   and name HG2 ))
 OR {  108}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 78   and name HG2 ))
 OR {  108}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 86   and name HG3 ))
 OR {  108}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 79   and name HB3 ))
 OR {  108}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 79   and name HB3 ))
 OR {  108}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 71   and name HG2 ))
 OR {  108}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 71   and name HG3 ))
 OR {  108}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 79   and name HB3 ))
 OR {  108}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 71   and name HG2 ))
 OR {  108}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 78   and name HG2 ))
 OR {  108}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 71   and name HG3 ))
 OR {  108}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 78   and name HG2 ))
 OR {  108}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 78   and name HG2 ))
 OR {  108}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 79   and name HB3 ))
 OR {  108}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 79   and name HB3 ))
 OR {  108}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 86   and name HG2 ))
 OR {  108}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 86   and name HG3 ))
 OR {  108}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 86   and name HG2 ))
 OR {  108}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 86   and name HG3 ))
 OR {  108}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 71   and name HG2 ))
 OR {  108}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 71   and name HG3 ))
 OR {  108}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 86   and name HG2 ))
 OR {  108}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 86   and name HG3 ))
 OR {  108}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 86   and name HG2 ))
 OR {  108}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 56   and name HG2 ))
 OR {  108}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 86   and name HG3 ))
 OR {  108}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 56   and name HG2 ))
 OR {  108}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 54   and name HG13))
 OR {  108}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 54   and name HG12))
 OR {  108}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 50   and name HG3 ))
 OR {  108}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 54   and name HG13))
 OR {  108}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 54   and name HG12))
 OR {  108}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 50   and name HG3 ))
 OR {  108}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 45   and name HB2 ))
 OR {  108}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 45   and name HB2 ))
 OR {  108}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 52   and name HG12))
 OR {  108}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 52   and name HG12))
 OR {  108}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 8    and name HB% )
 OR {  108}
   (( segid "    " and resid 71   and name HB3 ))
   (  segid "    " and resid 8    and name HB% )
 OR {  108}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 40   and name HG  ))
 OR {  108}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 56   and name HG2 ))
 OR {  108}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 40   and name HG  ))
 OR {  108}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 56   and name HG2 ))
 OR {  108}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 54   and name HG13))
 OR {  108}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 54   and name HG12))
 OR {  108}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 50   and name HG3 ))
 OR {  108}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 54   and name HG13))
 OR {  108}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 54   and name HG12))
 OR {  108}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 50   and name HG3 ))
 OR {  108}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 45   and name HB2 ))
 OR {  108}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 45   and name HB2 ))
 OR {  108}
   (( segid "    " and resid 78   and name HB3 ))
   (  segid "    " and resid 8    and name HB% )
 OR {  108}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 52   and name HG12))
 OR {  108}
   (( segid "    " and resid 78   and name HB2 ))
   (  segid "    " and resid 8    and name HB% )
 OR {  108}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 52   and name HG12))
 OR {  108}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 18   and name HB3 ))
 OR {  108}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 18   and name HB3 ))
 OR {  108}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 40   and name HG  ))
 OR {  108}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 40   and name HG  ))
 OR {  108}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 56   and name HG2 ))
 OR {  108}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 21   and name HG3 ))
 OR {  108}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 21   and name HG3 ))
 OR {  108}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 54   and name HG13))
 OR {  108}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 54   and name HG12))
 OR {  108}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 50   and name HG3 ))
 OR {  108}
   (( segid "    " and resid 86   and name HB2 ))
   (  segid "    " and resid 8    and name HB% )
 OR {  108}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 45   and name HB2 ))
 OR {  108}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 52   and name HG12))
 OR {  108}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 18   and name HB3 ))
 OR {  108}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 18   and name HB3 ))
 OR {  108}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 40   and name HG  ))
 OR {  108}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 21   and name HG3 ))
 OR {  108}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 21   and name HG3 ))
 OR {  108}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 18   and name HB3 ))
 OR {  108}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 21   and name HG3 ))
 ASSI {  109}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 78   and name HE3 ))
      2.900     1.000     1.000 peak   109 spectrum    1 weight  0.10000E+01 volume  0.37256E-02 ppm1      1.709 ppm2      2.902 CV     1
 OR {  109}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 78   and name HE2 ))
 OR {  109}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 78   and name HE3 ))
 OR {  109}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 78   and name HE2 ))
 OR {  109}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 71   and name HE2 ))
 OR {  109}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 86   and name HE3 ))
 OR {  109}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 71   and name HE3 ))
 OR {  109}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HE2 ))
 OR {  109}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 86   and name HE2 ))
 OR {  109}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HE3 ))
 OR {  109}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 81   and name HB3 ))
 OR {  109}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 81   and name HB3 ))
 OR {  109}
   (( segid "    " and resid 68   and name HG3 ))
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   (( segid "    " and resid 78   and name HB2 ))
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   (( segid "    " and resid 71   and name HB3 ))
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   (( segid "    " and resid 78   and name HB2 ))
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   (( segid "    " and resid 78   and name HB3 ))
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   (( segid "    " and resid 68   and name HG3 ))
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   (( segid "    " and resid 68   and name HG3 ))
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   (( segid "    " and resid 68   and name HG3 ))
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   (( segid "    " and resid 68   and name HG3 ))
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   (( segid "    " and resid 86   and name HB2 ))
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   (( segid "    " and resid 86   and name HB2 ))
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   (( segid "    " and resid 71   and name HB3 ))
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   (( segid "    " and resid 71   and name HB3 ))
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   (( segid "    " and resid 71   and name HB2 ))
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   (( segid "    " and resid 71   and name HB2 ))
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   (( segid "    " and resid 71   and name HB2 ))
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   (( segid "    " and resid 68   and name HG3 ))
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   (( segid "    " and resid 68   and name HG3 ))
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   (( segid "    " and resid 68   and name HG3 ))
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   (( segid "    " and resid 71   and name HB2 ))
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   (( segid "    " and resid 71   and name HB3 ))
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   (( segid "    " and resid 78   and name HB3 ))
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   (( segid "    " and resid 68   and name HG3 ))
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   (( segid "    " and resid 68   and name HG3 ))
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   (( segid "    " and resid 68   and name HG3 ))
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   (( segid "    " and resid 71   and name HB3 ))
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   (( segid "    " and resid 71   and name HB2 ))
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   (( segid "    " and resid 71   and name HB2 ))
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   (( segid "    " and resid 71   and name HB3 ))
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   (( segid "    " and resid 71   and name HB2 ))
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   (( segid "    " and resid 78   and name HB3 ))
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   (( segid "    " and resid 78   and name HB2 ))
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   (( segid "    " and resid 68   and name HG3 ))
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   (( segid "    " and resid 78   and name HB3 ))
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   (( segid "    " and resid 78   and name HB2 ))
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   (( segid "    " and resid 71   and name HB3 ))
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   (( segid "    " and resid 71   and name HB3 ))
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   (( segid "    " and resid 78   and name HB2 ))
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   (( segid "    " and resid 78   and name HB3 ))
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   (( segid "    " and resid 78   and name HB3 ))
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   (( segid "    " and resid 78   and name HB2 ))
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   (( segid "    " and resid 78   and name HB2 ))
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   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 25   and name HE2 ))
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   (( segid "    " and resid 78   and name HB2 ))
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   (( segid "    " and resid 78   and name HB3 ))
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   (( segid "    " and resid 78   and name HB2 ))
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   (( segid "    " and resid 86   and name HB2 ))
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   (( segid "    " and resid 86   and name HB2 ))
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   (( segid "    " and resid 78   and name HB2 ))
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   (( segid "    " and resid 78   and name HB2 ))
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   (( segid "    " and resid 86   and name HB2 ))
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   (( segid "    " and resid 86   and name HB2 ))
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   (( segid "    " and resid 86   and name HB2 ))
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   (( segid "    " and resid 86   and name HB2 ))
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   (( segid "    " and resid 86   and name HB2 ))
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      3.500     1.600     1.600 peak   110 spectrum    1 weight  0.10000E+01 volume  0.47195E-02 ppm1      1.671 ppm2      2.910 CV     1
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   (( segid "    " and resid 21   and name HB2 ))
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   (( segid "    " and resid 21   and name HB3 ))
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   (( segid "    " and resid 21   and name HB2 ))
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   (( segid "    " and resid 78   and name HB3 ))
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   (( segid "    " and resid 78   and name HB3 ))
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   (( segid "    " and resid 71   and name HB3 ))
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   (( segid "    " and resid 71   and name HB3 ))
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   (( segid "    " and resid 71   and name HB2 ))
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   (( segid "    " and resid 71   and name HB2 ))
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   (( segid "    " and resid 71   and name HB3 ))
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   (( segid "    " and resid 21   and name HB3 ))
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   (( segid "    " and resid 21   and name HB2 ))
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   (( segid "    " and resid 71   and name HB2 ))
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   (( segid "    " and resid 21   and name HB3 ))
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   (( segid "    " and resid 21   and name HB2 ))
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   (( segid "    " and resid 71   and name HB3 ))
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   (( segid "    " and resid 71   and name HB3 ))
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   (( segid "    " and resid 71   and name HB2 ))
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   (( segid "    " and resid 71   and name HB2 ))
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   (( segid "    " and resid 71   and name HB2 ))
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   (( segid "    " and resid 71   and name HB3 ))
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   (( segid "    " and resid 71   and name HB2 ))
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   (( segid "    " and resid 71   and name HB3 ))
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   (( segid "    " and resid 71   and name HB2 ))
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   (( segid "    " and resid 71   and name HB3 ))
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   (( segid "    " and resid 78   and name HB3 ))
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   (( segid "    " and resid 71   and name HB2 ))
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   (( segid "    " and resid 71   and name HB2 ))
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   (( segid "    " and resid 71   and name HB3 ))
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   (( segid "    " and resid 71   and name HB3 ))
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   (( segid "    " and resid 71   and name HB2 ))
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   (( segid "    " and resid 78   and name HB3 ))
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   (( segid "    " and resid 71   and name HB2 ))
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   (( segid "    " and resid 71   and name HB3 ))
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   (( segid "    " and resid 78   and name HB3 ))
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   (( segid "    " and resid 71   and name HB2 ))
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   (( segid "    " and resid 71   and name HB2 ))
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   (( segid "    " and resid 71   and name HB3 ))
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   (( segid "    " and resid 21   and name HB3 ))
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   (( segid "    " and resid 21   and name HB3 ))
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   (( segid "    " and resid 21   and name HB2 ))
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 OR {  110}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 71   and name HE3 ))
 OR {  110}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 21   and name HE2 ))
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   (( segid "    " and resid 78   and name HB3 ))
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   (( segid "    " and resid 78   and name HB3 ))
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 OR {  110}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 25   and name HE2 ))
 OR {  110}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 25   and name HE3 ))
 OR {  110}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 21   and name HE3 ))
 OR {  110}
   (( segid "    " and resid 21   and name HB3 ))
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   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 78   and name HE3 ))
 OR {  110}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 78   and name HE2 ))
 OR {  110}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 21   and name HE2 ))
 OR {  110}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 78   and name HE2 ))
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   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 81   and name HB3 ))
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   (( segid "    " and resid 21   and name HB2 ))
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   (( segid "    " and resid 21   and name HB3 ))
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   (( segid "    " and resid 21   and name HB2 ))
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   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 86   and name HE3 ))
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   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 86   and name HE3 ))
 ASSI {  111}
   (( segid "    " and resid 86   and name HB3 ))
   (( segid "    " and resid 86   and name H   ))
      2.400     0.700     0.700 peak   111 spectrum    1 weight  0.10000E+01 volume  0.61078E-02 ppm1      1.724 ppm2      8.214 CV     1
 OR {  111}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 78   and name H   ))
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   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 86   and name H   ))
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   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 78   and name H   ))
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   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 80   and name H   ))
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   (( segid "    " and resid 71   and name HB3 ))
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   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 80   and name H   ))
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   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 76   and name H   ))
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   (( segid "    " and resid 78   and name HB2 ))
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   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 81   and name H   ))
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   (( segid "    " and resid 68   and name HG3 ))
   (( segid "    " and resid 73   and name H   ))
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   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 76   and name H   ))
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   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 81   and name H   ))
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   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 73   and name H   ))
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   (( segid "    " and resid 86   and name HB3 ))
   (( segid "    " and resid 81   and name H   ))
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   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 73   and name H   ))
 OR {  111}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 80   and name H   ))
 OR {  111}
   (( segid "    " and resid 86   and name HB3 ))
   (( segid "    " and resid 80   and name H   ))
 OR {  111}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 78   and name H   ))
 OR {  111}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 86   and name H   ))
 OR {  111}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 86   and name H   ))
 OR {  111}
   (( segid "    " and resid 68   and name HG3 ))
   (( segid "    " and resid 76   and name H   ))
 OR {  111}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 78   and name H   ))
 OR {  111}
   (( segid "    " and resid 86   and name HB3 ))
   (( segid "    " and resid 78   and name H   ))
 OR {  111}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 80   and name H   ))
 OR {  111}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 81   and name H   ))
 OR {  111}
   (( segid "    " and resid 68   and name HG3 ))
   (( segid "    " and resid 78   and name H   ))
 OR {  111}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 76   and name H   ))
 OR {  111}
   (( segid "    " and resid 86   and name HB3 ))
   (( segid "    " and resid 76   and name H   ))
 OR {  111}
   (( segid "    " and resid 68   and name HG3 ))
   (( segid "    " and resid 58   and name H   ))
 OR {  111}
   (( segid "    " and resid 68   and name HG3 ))
   (( segid "    " and resid 80   and name H   ))
 OR {  111}
   (( segid "    " and resid 68   and name HG3 ))
   (( segid "    " and resid 81   and name H   ))
 OR {  111}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 73   and name H   ))
 OR {  111}
   (( segid "    " and resid 86   and name HB3 ))
   (( segid "    " and resid 73   and name H   ))
 OR {  111}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 58   and name H   ))
 OR {  111}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 86   and name H   ))
 OR {  111}
   (( segid "    " and resid 68   and name HG3 ))
   (( segid "    " and resid 86   and name H   ))
 OR {  111}
   (( segid "    " and resid 68   and name HG3 ))
   (( segid "    " and resid 9    and name H   ))
 OR {  111}
   (( segid "    " and resid 68   and name HG3 ))
   (( segid "    " and resid 8    and name H   ))
 OR {  111}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 58   and name H   ))
 OR {  111}
   (( segid "    " and resid 68   and name HG3 ))
   (( segid "    " and resid 7    and name H   ))
 OR {  111}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 58   and name H   ))
 OR {  111}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 9    and name H   ))
 OR {  111}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 8    and name H   ))
 OR {  111}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 7    and name H   ))
 OR {  111}
   (( segid "    " and resid 68   and name HG3 ))
   (( segid "    " and resid 3    and name H   ))
 OR {  111}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 3    and name H   ))
 OR {  111}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 58   and name H   ))
 OR {  111}
   (( segid "    " and resid 86   and name HB3 ))
   (( segid "    " and resid 58   and name H   ))
 OR {  111}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 9    and name H   ))
 OR {  111}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 9    and name H   ))
 OR {  111}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 8    and name H   ))
 OR {  111}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 8    and name H   ))
 OR {  111}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 7    and name H   ))
 OR {  111}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 7    and name H   ))
 OR {  111}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 3    and name H   ))
 OR {  111}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 3    and name H   ))
 OR {  111}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 9    and name H   ))
 OR {  111}
   (( segid "    " and resid 86   and name HB3 ))
   (( segid "    " and resid 9    and name H   ))
 OR {  111}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 8    and name H   ))
 OR {  111}
   (( segid "    " and resid 86   and name HB3 ))
   (( segid "    " and resid 8    and name H   ))
 OR {  111}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 7    and name H   ))
 OR {  111}
   (( segid "    " and resid 86   and name HB3 ))
   (( segid "    " and resid 7    and name H   ))
 OR {  111}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 3    and name H   ))
 OR {  111}
   (( segid "    " and resid 86   and name HB3 ))
   (( segid "    " and resid 3    and name H   ))
 ASSI {  112}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 78   and name H   ))
      2.400     0.700     0.700 peak   112 spectrum    1 weight  0.10000E+01 volume  0.68351E-02 ppm1      1.661 ppm2      8.210 CV     1
 OR {  112}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 86   and name H   ))
 OR {  112}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 80   and name H   ))
 OR {  112}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 73   and name H   ))
 OR {  112}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 76   and name H   ))
 OR {  112}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 81   and name H   ))
 OR {  112}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 81   and name H   ))
 OR {  112}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 73   and name H   ))
 OR {  112}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 76   and name H   ))
 OR {  112}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 80   and name H   ))
 OR {  112}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 78   and name H   ))
 OR {  112}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 86   and name H   ))
 OR {  112}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 78   and name H   ))
 OR {  112}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 80   and name H   ))
 OR {  112}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 76   and name H   ))
 OR {  112}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 81   and name H   ))
 OR {  112}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 73   and name H   ))
 OR {  112}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 58   and name H   ))
 OR {  112}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 86   and name H   ))
 OR {  112}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 58   and name H   ))
 OR {  112}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 9    and name H   ))
 OR {  112}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 8    and name H   ))
 OR {  112}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 7    and name H   ))
 OR {  112}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 3    and name H   ))
 OR {  112}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 58   and name H   ))
 OR {  112}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 9    and name H   ))
 OR {  112}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 8    and name H   ))
 OR {  112}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 7    and name H   ))
 OR {  112}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 3    and name H   ))
 OR {  112}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 9    and name H   ))
 OR {  112}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 8    and name H   ))
 OR {  112}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 7    and name H   ))
 OR {  112}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 3    and name H   ))
 ASSI {  113}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 72   and name H   ))
      2.600     0.800     0.800 peak   113 spectrum    1 weight  0.10000E+01 volume  0.71738E-02 ppm1      1.711 ppm2      7.988 CV     1
 OR {  113}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name H   ))
 OR {  113}
   (( segid "    " and resid 68   and name HG3 ))
   (( segid "    " and resid 68   and name H   ))
 OR {  113}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 71   and name H   ))
 OR {  113}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 72   and name H   ))
 OR {  113}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 70   and name H   ))
 OR {  113}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 70   and name H   ))
 OR {  113}
   (( segid "    " and resid 68   and name HG3 ))
   (( segid "    " and resid 67   and name H   ))
 OR {  113}
   (( segid "    " and resid 68   and name HG3 ))
   (( segid "    " and resid 70   and name H   ))
 OR {  113}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 88   and name H   ))
 OR {  113}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 84   and name H   ))
 OR {  113}
   (( segid "    " and resid 68   and name HG3 ))
   (( segid "    " and resid 66   and name H   ))
 OR {  113}
   (( segid "    " and resid 68   and name HG3 ))
   (( segid "    " and resid 71   and name H   ))
 OR {  113}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 75   and name H   ))
 OR {  113}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 83   and name H   ))
 OR {  113}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 68   and name H   ))
 OR {  113}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 75   and name H   ))
 OR {  113}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 68   and name H   ))
 OR {  113}
   (( segid "    " and resid 68   and name HG3 ))
   (( segid "    " and resid 72   and name H   ))
 OR {  113}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 75   and name H   ))
 OR {  113}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 75   and name H   ))
 OR {  113}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 67   and name H   ))
 OR {  113}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 83   and name H   ))
 OR {  113}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 67   and name H   ))
 OR {  113}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 83   and name H   ))
 OR {  113}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 66   and name H   ))
 OR {  113}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 84   and name H   ))
 OR {  113}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 66   and name H   ))
 OR {  113}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 84   and name H   ))
 OR {  113}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 72   and name H   ))
 OR {  113}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 72   and name H   ))
 OR {  113}
   (( segid "    " and resid 68   and name HG3 ))
   (( segid "    " and resid 75   and name H   ))
 OR {  113}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 71   and name H   ))
 OR {  113}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 71   and name H   ))
 OR {  113}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 70   and name H   ))
 OR {  113}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 70   and name H   ))
 OR {  113}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 88   and name H   ))
 OR {  113}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 88   and name H   ))
 OR {  113}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 68   and name H   ))
 OR {  113}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 68   and name H   ))
 OR {  113}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 75   and name H   ))
 OR {  113}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 67   and name H   ))
 OR {  113}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 83   and name H   ))
 OR {  113}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 67   and name H   ))
 OR {  113}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 83   and name H   ))
 OR {  113}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 66   and name H   ))
 OR {  113}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 84   and name H   ))
 OR {  113}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 66   and name H   ))
 OR {  113}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 84   and name H   ))
 OR {  113}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 72   and name H   ))
 OR {  113}
   (( segid "    " and resid 68   and name HG3 ))
   (( segid "    " and resid 83   and name H   ))
 OR {  113}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 71   and name H   ))
 OR {  113}
   (( segid "    " and resid 68   and name HG3 ))
   (( segid "    " and resid 84   and name H   ))
 OR {  113}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 88   and name H   ))
 OR {  113}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 70   and name H   ))
 OR {  113}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 88   and name H   ))
 OR {  113}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 68   and name H   ))
 OR {  113}
   (( segid "    " and resid 68   and name HG3 ))
   (( segid "    " and resid 88   and name H   ))
 OR {  113}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 67   and name H   ))
 OR {  113}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 66   and name H   ))
 OR {  113}
   (( segid "    " and resid 68   and name HG3 ))
   (( segid "    " and resid 39   and name H   ))
 OR {  113}
   (( segid "    " and resid 68   and name HG3 ))
   (( segid "    " and resid 35   and name H   ))
 OR {  113}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 39   and name H   ))
 OR {  113}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 39   and name H   ))
 OR {  113}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 35   and name H   ))
 OR {  113}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 35   and name H   ))
 OR {  113}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 39   and name H   ))
 OR {  113}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 39   and name H   ))
 OR {  113}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 35   and name H   ))
 OR {  113}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 35   and name H   ))
 OR {  113}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 39   and name H   ))
 OR {  113}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 35   and name H   ))
 ASSI {  114}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 72   and name H   ))
      2.700     0.900     0.900 peak   114 spectrum    1 weight  0.10000E+01 volume  0.59911E-02 ppm1      1.673 ppm2      7.981 CV     1
 OR {  114}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name H   ))
 OR {  114}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 71   and name H   ))
 OR {  114}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 72   and name H   ))
 OR {  114}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 70   and name H   ))
 OR {  114}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 70   and name H   ))
 OR {  114}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 88   and name H   ))
 OR {  114}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 84   and name H   ))
 OR {  114}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 75   and name H   ))
 OR {  114}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 83   and name H   ))
 OR {  114}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 68   and name H   ))
 OR {  114}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 75   and name H   ))
 OR {  114}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 68   and name H   ))
 OR {  114}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 75   and name H   ))
 OR {  114}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 75   and name H   ))
 OR {  114}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 67   and name H   ))
 OR {  114}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 83   and name H   ))
 OR {  114}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 67   and name H   ))
 OR {  114}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 83   and name H   ))
 OR {  114}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 66   and name H   ))
 OR {  114}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 84   and name H   ))
 OR {  114}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 66   and name H   ))
 OR {  114}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 84   and name H   ))
 OR {  114}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 72   and name H   ))
 OR {  114}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 72   and name H   ))
 OR {  114}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 71   and name H   ))
 OR {  114}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 71   and name H   ))
 OR {  114}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 70   and name H   ))
 OR {  114}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 70   and name H   ))
 OR {  114}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 88   and name H   ))
 OR {  114}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 88   and name H   ))
 OR {  114}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 68   and name H   ))
 OR {  114}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 68   and name H   ))
 OR {  114}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 75   and name H   ))
 OR {  114}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 67   and name H   ))
 OR {  114}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 83   and name H   ))
 OR {  114}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 67   and name H   ))
 OR {  114}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 83   and name H   ))
 OR {  114}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 66   and name H   ))
 OR {  114}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 84   and name H   ))
 OR {  114}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 66   and name H   ))
 OR {  114}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 84   and name H   ))
 OR {  114}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 72   and name H   ))
 OR {  114}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 71   and name H   ))
 OR {  114}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 88   and name H   ))
 OR {  114}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 70   and name H   ))
 OR {  114}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 88   and name H   ))
 OR {  114}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 68   and name H   ))
 OR {  114}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 67   and name H   ))
 OR {  114}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 66   and name H   ))
 OR {  114}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 39   and name H   ))
 OR {  114}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 39   and name H   ))
 OR {  114}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 35   and name H   ))
 OR {  114}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 35   and name H   ))
 OR {  114}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 39   and name H   ))
 OR {  114}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 39   and name H   ))
 OR {  114}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 35   and name H   ))
 OR {  114}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 35   and name H   ))
 OR {  114}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 39   and name H   ))
 OR {  114}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 35   and name H   ))
 ASSI {  115}
   (( segid "    " and resid 21   and name HB3 ))
   (  segid "    " and resid 22   and name HD1%)
      3.000     1.100     1.100 peak   115 spectrum    1 weight  0.10000E+01 volume  0.29317E-02 ppm1      1.676 ppm2      0.752 CV     1
 OR {  115}
   (( segid "    " and resid 78   and name HB3 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  115}
   (( segid "    " and resid 21   and name HB2 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  115}
   (( segid "    " and resid 78   and name HB3 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  115}
   (( segid "    " and resid 71   and name HB3 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  115}
   (( segid "    " and resid 78   and name HB2 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  115}
   (( segid "    " and resid 78   and name HB2 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  115}
   (( segid "    " and resid 78   and name HB2 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  115}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  115}
   (( segid "    " and resid 71   and name HB3 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  115}
   (( segid "    " and resid 78   and name HB3 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  115}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  115}
   (( segid "    " and resid 21   and name HB2 ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  115}
   (( segid "    " and resid 21   and name HB3 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  115}
   (( segid "    " and resid 21   and name HB2 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  115}
   (( segid "    " and resid 21   and name HB3 ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  115}
   (( segid "    " and resid 21   and name HB3 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  115}
   (( segid "    " and resid 21   and name HB2 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  115}
   (( segid "    " and resid 21   and name HB2 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  115}
   (( segid "    " and resid 21   and name HB3 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  115}
   (( segid "    " and resid 78   and name HB3 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  115}
   (( segid "    " and resid 71   and name HB3 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  115}
   (( segid "    " and resid 78   and name HB3 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  115}
   (( segid "    " and resid 78   and name HB2 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  115}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  115}
   (( segid "    " and resid 71   and name HB3 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  115}
   (( segid "    " and resid 78   and name HB2 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  115}
   (( segid "    " and resid 21   and name HB3 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  115}
   (( segid "    " and resid 21   and name HB2 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  115}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  115}
   (( segid "    " and resid 78   and name HB2 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  115}
   (( segid "    " and resid 78   and name HB3 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  115}
   (( segid "    " and resid 78   and name HB2 ))
   (  segid "    " and resid 84   and name HD1%)
 OR {  115}
   (( segid "    " and resid 78   and name HB3 ))
   (  segid "    " and resid 84   and name HD1%)
 OR {  115}
   (( segid "    " and resid 71   and name HB3 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  115}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  115}
   (( segid "    " and resid 21   and name HB2 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  115}
   (( segid "    " and resid 21   and name HB3 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  115}
   (( segid "    " and resid 21   and name HB2 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  115}
   (( segid "    " and resid 21   and name HB3 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  115}
   (( segid "    " and resid 21   and name HB3 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  115}
   (( segid "    " and resid 21   and name HB2 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  115}
   (( segid "    " and resid 71   and name HB3 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  115}
   (( segid "    " and resid 21   and name HB3 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  115}
   (( segid "    " and resid 21   and name HB2 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  115}
   (( segid "    " and resid 71   and name HB3 ))
   (  segid "    " and resid 84   and name HD1%)
 OR {  115}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  115}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 84   and name HD1%)
 OR {  115}
   (( segid "    " and resid 21   and name HB3 ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  115}
   (( segid "    " and resid 21   and name HB2 ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  115}
   (( segid "    " and resid 21   and name HB3 ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  115}
   (( segid "    " and resid 21   and name HB2 ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  115}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  115}
   (( segid "    " and resid 71   and name HB3 ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  115}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  115}
   (( segid "    " and resid 71   and name HB3 ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  115}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  115}
   (( segid "    " and resid 71   and name HB3 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  115}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  115}
   (( segid "    " and resid 71   and name HB3 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  115}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  115}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  115}
   (( segid "    " and resid 71   and name HB3 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  115}
   (( segid "    " and resid 71   and name HB3 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  115}
   (( segid "    " and resid 78   and name HB3 ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  115}
   (( segid "    " and resid 78   and name HB2 ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  115}
   (( segid "    " and resid 78   and name HB3 ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  115}
   (( segid "    " and resid 78   and name HB3 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  115}
   (( segid "    " and resid 78   and name HB2 ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  115}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  115}
   (( segid "    " and resid 78   and name HB2 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  115}
   (( segid "    " and resid 71   and name HB3 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  115}
   (( segid "    " and resid 78   and name HB3 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  115}
   (( segid "    " and resid 78   and name HB2 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  115}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  115}
   (( segid "    " and resid 71   and name HB3 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  115}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  115}
   (( segid "    " and resid 71   and name HB3 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  115}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  115}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  115}
   (( segid "    " and resid 78   and name HB3 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  115}
   (( segid "    " and resid 78   and name HB3 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  115}
   (( segid "    " and resid 71   and name HB3 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  115}
   (( segid "    " and resid 71   and name HB3 ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  115}
   (( segid "    " and resid 78   and name HB2 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  115}
   (( segid "    " and resid 78   and name HB2 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  115}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  115}
   (( segid "    " and resid 71   and name HB3 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  115}
   (( segid "    " and resid 78   and name HB3 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  115}
   (( segid "    " and resid 78   and name HB2 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  115}
   (( segid "    " and resid 21   and name HB3 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  115}
   (( segid "    " and resid 21   and name HB2 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  115}
   (( segid "    " and resid 21   and name HB3 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  115}
   (( segid "    " and resid 21   and name HB2 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  115}
   (( segid "    " and resid 78   and name HB3 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  115}
   (( segid "    " and resid 78   and name HB3 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  115}
   (( segid "    " and resid 78   and name HB2 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  115}
   (( segid "    " and resid 78   and name HB2 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  115}
   (( segid "    " and resid 78   and name HB3 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  115}
   (( segid "    " and resid 78   and name HB3 ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  115}
   (( segid "    " and resid 78   and name HB2 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  115}
   (( segid "    " and resid 78   and name HB2 ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  115}
   (( segid "    " and resid 21   and name HB3 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  115}
   (( segid "    " and resid 21   and name HB2 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  115}
   (( segid "    " and resid 21   and name HB3 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  115}
   (( segid "    " and resid 21   and name HB2 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  115}
   (( segid "    " and resid 78   and name HB3 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  115}
   (( segid "    " and resid 78   and name HB2 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  115}
   (( segid "    " and resid 21   and name HB3 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  115}
   (( segid "    " and resid 21   and name HB2 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  115}
   (( segid "    " and resid 21   and name HB3 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  115}
   (( segid "    " and resid 21   and name HB2 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  115}
   (( segid "    " and resid 21   and name HB3 ))
   (  segid "    " and resid 84   and name HD1%)
 OR {  115}
   (( segid "    " and resid 21   and name HB2 ))
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  118}
   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 21   and name H   ))
      3.800     1.800     1.800 peak   118 spectrum    1 weight  0.10000E+01 volume  0.24931E-02 ppm1      1.590 ppm2      7.907 CV     1
 OR {  118}
   (( segid "    " and resid 21   and name HD3 ))
   (( segid "    " and resid 21   and name H   ))
 OR {  118}
   (( segid "    " and resid 86   and name HD2 ))
   (( segid "    " and resid 88   and name H   ))
 OR {  118}
   (( segid "    " and resid 86   and name HD3 ))
   (( segid "    " and resid 88   and name H   ))
 OR {  118}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 32   and name HE21))
 OR {  118}
   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 21   and name H   ))
 OR {  118}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 21   and name H   ))
 OR {  118}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 68   and name H   ))
 OR {  118}
   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 68   and name H   ))
 OR {  118}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 67   and name H   ))
 OR {  118}
   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 67   and name H   ))
 OR {  118}
   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 32   and name HE21))
 OR {  118}
   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 32   and name HE21))
 OR {  118}
   (( segid "    " and resid 21   and name HD3 ))
   (( segid "    " and resid 32   and name HE21))
 OR {  118}
   (( segid "    " and resid 78   and name HD3 ))
   (( segid "    " and resid 88   and name H   ))
 OR {  118}
   (( segid "    " and resid 78   and name HD2 ))
   (( segid "    " and resid 88   and name H   ))
 OR {  118}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 63   and name H   ))
 OR {  118}
   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 63   and name H   ))
 OR {  118}
   (( segid "    " and resid 78   and name HD2 ))
   (( segid "    " and resid 68   and name H   ))
 OR {  118}
   (( segid "    " and resid 78   and name HD3 ))
   (( segid "    " and resid 68   and name H   ))
 OR {  118}
   (( segid "    " and resid 78   and name HD2 ))
   (( segid "    " and resid 67   and name H   ))
 OR {  118}
   (( segid "    " and resid 78   and name HD3 ))
   (( segid "    " and resid 67   and name H   ))
 OR {  118}
   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 88   and name H   ))
 OR {  118}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 88   and name H   ))
 OR {  118}
   (( segid "    " and resid 78   and name HD2 ))
   (( segid "    " and resid 63   and name H   ))
 OR {  118}
   (( segid "    " and resid 78   and name HD3 ))
   (( segid "    " and resid 63   and name H   ))
 OR {  118}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 63   and name H   ))
 OR {  118}
   (( segid "    " and resid 86   and name HD3 ))
   (( segid "    " and resid 68   and name H   ))
 OR {  118}
   (( segid "    " and resid 86   and name HD2 ))
   (( segid "    " and resid 68   and name H   ))
 OR {  118}
   (( segid "    " and resid 86   and name HD3 ))
   (( segid "    " and resid 67   and name H   ))
 OR {  118}
   (( segid "    " and resid 86   and name HD2 ))
   (( segid "    " and resid 67   and name H   ))
 OR {  118}
   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 63   and name H   ))
 OR {  118}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 67   and name H   ))
 OR {  118}
   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 63   and name H   ))
 OR {  118}
   (( segid "    " and resid 21   and name HD3 ))
   (( segid "    " and resid 63   and name H   ))
 OR {  118}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 68   and name H   ))
 OR {  118}
   (( segid "    " and resid 86   and name HD3 ))
   (( segid "    " and resid 63   and name H   ))
 OR {  118}
   (( segid "    " and resid 86   and name HD2 ))
   (( segid "    " and resid 63   and name H   ))
 OR {  118}
   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 67   and name H   ))
 OR {  118}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 32   and name HE21))
 OR {  118}
   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 32   and name HE21))
 OR {  118}
   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 68   and name H   ))
 OR {  118}
   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 67   and name H   ))
 OR {  118}
   (( segid "    " and resid 21   and name HD3 ))
   (( segid "    " and resid 67   and name H   ))
 OR {  118}
   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 68   and name H   ))
 OR {  118}
   (( segid "    " and resid 21   and name HD3 ))
   (( segid "    " and resid 68   and name H   ))
 OR {  118}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 21   and name H   ))
 OR {  118}
   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 21   and name H   ))
 OR {  118}
   (( segid "    " and resid 78   and name HD2 ))
   (( segid "    " and resid 32   and name HE21))
 OR {  118}
   (( segid "    " and resid 78   and name HD3 ))
   (( segid "    " and resid 32   and name HE21))
 OR {  118}
   (( segid "    " and resid 78   and name HD2 ))
   (( segid "    " and resid 21   and name H   ))
 OR {  118}
   (( segid "    " and resid 78   and name HD3 ))
   (( segid "    " and resid 21   and name H   ))
 OR {  118}
   (( segid "    " and resid 86   and name HD3 ))
   (( segid "    " and resid 32   and name HE21))
 OR {  118}
   (( segid "    " and resid 86   and name HD2 ))
   (( segid "    " and resid 32   and name HE21))
 OR {  118}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 88   and name H   ))
 OR {  118}
   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 88   and name H   ))
 OR {  118}
   (( segid "    " and resid 86   and name HD3 ))
   (( segid "    " and resid 21   and name H   ))
 OR {  118}
   (( segid "    " and resid 86   and name HD2 ))
   (( segid "    " and resid 21   and name H   ))
 OR {  118}
   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 88   and name H   ))
 OR {  118}
   (( segid "    " and resid 21   and name HD3 ))
   (( segid "    " and resid 88   and name H   ))
 ASSI {  120}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 72   and name H   ))
      3.700     1.700     1.700 peak   120 spectrum    1 weight  0.10000E+01 volume  0.29150E-02 ppm1      1.335 ppm2      7.987 CV     1
 OR {  120}
   (( segid "    " and resid 86   and name HG3 ))
   (( segid "    " and resid 88   and name H   ))
 OR {  120}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 71   and name H   ))
 OR {  120}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 70   and name H   ))
 OR {  120}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 88   and name H   ))
 OR {  120}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 84   and name H   ))
 OR {  120}
   (( segid "    " and resid 86   and name HG3 ))
   (( segid "    " and resid 84   and name H   ))
 OR {  120}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 75   and name H   ))
 OR {  120}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 68   and name H   ))
 OR {  120}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 75   and name H   ))
 OR {  120}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 83   and name H   ))
 OR {  120}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 75   and name H   ))
 OR {  120}
   (( segid "    " and resid 86   and name HG3 ))
   (( segid "    " and resid 83   and name H   ))
 OR {  120}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 83   and name H   ))
 OR {  120}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 83   and name H   ))
 OR {  120}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 67   and name H   ))
 OR {  120}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 84   and name H   ))
 OR {  120}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 84   and name H   ))
 OR {  120}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 66   and name H   ))
 OR {  120}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 72   and name H   ))
 OR {  120}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 72   and name H   ))
 OR {  120}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 71   and name H   ))
 OR {  120}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 71   and name H   ))
 OR {  120}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 70   and name H   ))
 OR {  120}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 88   and name H   ))
 OR {  120}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 70   and name H   ))
 OR {  120}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 88   and name H   ))
 OR {  120}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 68   and name H   ))
 OR {  120}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 68   and name H   ))
 OR {  120}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 75   and name H   ))
 OR {  120}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 83   and name H   ))
 OR {  120}
   (( segid "    " and resid 86   and name HG3 ))
   (( segid "    " and resid 75   and name H   ))
 OR {  120}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 67   and name H   ))
 OR {  120}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 67   and name H   ))
 OR {  120}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 84   and name H   ))
 OR {  120}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 66   and name H   ))
 OR {  120}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 66   and name H   ))
 OR {  120}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 72   and name H   ))
 OR {  120}
   (( segid "    " and resid 86   and name HG3 ))
   (( segid "    " and resid 72   and name H   ))
 OR {  120}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 71   and name H   ))
 OR {  120}
   (( segid "    " and resid 86   and name HG3 ))
   (( segid "    " and resid 71   and name H   ))
 OR {  120}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 88   and name H   ))
 OR {  120}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 70   and name H   ))
 OR {  120}
   (( segid "    " and resid 86   and name HG3 ))
   (( segid "    " and resid 70   and name H   ))
 OR {  120}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 68   and name H   ))
 OR {  120}
   (( segid "    " and resid 86   and name HG3 ))
   (( segid "    " and resid 68   and name H   ))
 OR {  120}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 67   and name H   ))
 OR {  120}
   (( segid "    " and resid 86   and name HG3 ))
   (( segid "    " and resid 67   and name H   ))
 OR {  120}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 66   and name H   ))
 OR {  120}
   (( segid "    " and resid 86   and name HG3 ))
   (( segid "    " and resid 66   and name H   ))
 OR {  120}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 39   and name H   ))
 OR {  120}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 35   and name H   ))
 OR {  120}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 39   and name H   ))
 OR {  120}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 39   and name H   ))
 OR {  120}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 35   and name H   ))
 OR {  120}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 35   and name H   ))
 OR {  120}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 39   and name H   ))
 OR {  120}
   (( segid "    " and resid 86   and name HG3 ))
   (( segid "    " and resid 39   and name H   ))
 OR {  120}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 35   and name H   ))
 OR {  120}
   (( segid "    " and resid 86   and name HG3 ))
   (( segid "    " and resid 35   and name H   ))
 ASSI {  121}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 78   and name HB3 ))
      3.300     1.300     1.300 peak   121 spectrum    1 weight  0.10000E+01 volume  0.27984E-02 ppm1      4.331 ppm2      1.623 CV     1
 OR {  121}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 76   and name HG  ))
 OR {  121}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 78   and name HD2 ))
 OR {  121}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 78   and name HD3 ))
 OR {  121}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {  121}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {  121}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
 OR {  121}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 84   and name HB3 ))
 OR {  121}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 70   and name HG2 ))
 OR {  121}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 85   and name HB2 ))
 OR {  121}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 86   and name HD3 ))
 OR {  121}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 86   and name HD2 ))
 OR {  121}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 68   and name HB3 ))
 OR {  121}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 56   and name HG3 ))
 OR {  121}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 45   and name HG  ))
 OR {  121}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 45   and name HB3 ))
 OR {  121}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 33   and name HB3 ))
 OR {  121}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 13   and name HG  ))
 OR {  121}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
 OR {  121}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {  121}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 3    and name HG  ))
 OR {  121}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {  121}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 25   and name HD3 ))
 OR {  121}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {  121}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {  121}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 22   and name HB3 ))
 OR {  121}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 21   and name HB3 ))
 OR {  121}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 21   and name HB2 ))
 OR {  121}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 21   and name HD2 ))
 OR {  121}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 21   and name HD3 ))
 ASSI {  122}
   (( segid "    " and resid 77   and name HD3 ))
   (( segid "    " and resid 76   and name H   ))
      4.400     2.500     1.600 peak   122 spectrum    1 weight  0.10000E+01 volume  0.92171E-03 ppm1      3.739 ppm2      8.230 CV     1
 OR {  122}
   (( segid "    " and resid 77   and name HD3 ))
   (( segid "    " and resid 78   and name H   ))
 OR {  122}
   (( segid "    " and resid 77   and name HD3 ))
   (( segid "    " and resid 80   and name H   ))
 OR {  122}
   (( segid "    " and resid 77   and name HD3 ))
   (( segid "    " and resid 73   and name H   ))
 OR {  122}
   (( segid "    " and resid 77   and name HD3 ))
   (( segid "    " and resid 81   and name H   ))
 OR {  122}
   (( segid "    " and resid 77   and name HD3 ))
   (( segid "    " and resid 86   and name H   ))
 OR {  122}
   (( segid "    " and resid 77   and name HD3 ))
   (( segid "    " and resid 58   and name H   ))
 OR {  122}
   (( segid "    " and resid 77   and name HD3 ))
   (( segid "    " and resid 9    and name H   ))
 OR {  122}
   (( segid "    " and resid 77   and name HD3 ))
   (( segid "    " and resid 8    and name H   ))
 OR {  122}
   (( segid "    " and resid 77   and name HD3 ))
   (( segid "    " and resid 7    and name H   ))
 OR {  122}
   (( segid "    " and resid 77   and name HD3 ))
   (( segid "    " and resid 3    and name H   ))
 ASSI {  123}
   (( segid "    " and resid 77   and name HD2 ))
   (( segid "    " and resid 76   and name H   ))
      2.800     1.000     1.000 peak   123 spectrum    1 weight  0.10000E+01 volume  0.14436E-02 ppm1      3.503 ppm2      8.245 CV     1
 OR {  123}
   (( segid "    " and resid 77   and name HD2 ))
   (( segid "    " and resid 78   and name H   ))
 OR {  123}
   (( segid "    " and resid 77   and name HD2 ))
   (( segid "    " and resid 74   and name H   ))
 OR {  123}
   (( segid "    " and resid 77   and name HD2 ))
   (( segid "    " and resid 80   and name H   ))
 OR {  123}
   (( segid "    " and resid 77   and name HD2 ))
   (( segid "    " and resid 73   and name H   ))
 OR {  123}
   (( segid "    " and resid 77   and name HD2 ))
   (( segid "    " and resid 81   and name H   ))
 OR {  123}
   (( segid "    " and resid 77   and name HD2 ))
   (( segid "    " and resid 86   and name H   ))
 OR {  123}
   (( segid "    " and resid 77   and name HD2 ))
   (( segid "    " and resid 58   and name H   ))
 OR {  123}
   (( segid "    " and resid 77   and name HD2 ))
   (( segid "    " and resid 9    and name H   ))
 OR {  123}
   (( segid "    " and resid 77   and name HD2 ))
   (( segid "    " and resid 8    and name H   ))
 OR {  123}
   (( segid "    " and resid 77   and name HD2 ))
   (( segid "    " and resid 7    and name H   ))
 OR {  123}
   (( segid "    " and resid 77   and name HD2 ))
   (( segid "    " and resid 3    and name H   ))
 ASSI {  125}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 12   and name HE21))
      3.600     1.700     1.700 peak   125 spectrum    1 weight  0.10000E+01 volume  0.91061E-03 ppm1      2.161 ppm2      6.859 CV     1
 OR {  125}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 80   and name HD22))
 OR {  125}
   (( segid "    " and resid 5    and name HB2 ))
   (  segid "    " and resid 43   and name HD% )
 OR {  125}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 12   and name HE21))
 OR {  125}
   (( segid "    " and resid 26   and name HB  ))
   (( segid "    " and resid 12   and name HE21))
 OR {  125}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 43   and name HD% )
 OR {  125}
   (( segid "    " and resid 26   and name HB  ))
   (  segid "    " and resid 43   and name HD% )
 OR {  125}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 49   and name HE22))
 OR {  125}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 49   and name HE22))
 OR {  125}
   (( segid "    " and resid 26   and name HB  ))
   (( segid "    " and resid 49   and name HE22))
 OR {  125}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 57   and name HE22))
 OR {  125}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 65   and name HZ  ))
 OR {  125}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 64   and name HH2 ))
 OR {  125}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 63   and name HE22))
 OR {  125}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 64   and name HD1 ))
 OR {  125}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 57   and name HE22))
 OR {  125}
   (( segid "    " and resid 26   and name HB  ))
   (( segid "    " and resid 57   and name HE22))
 OR {  125}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 63   and name HE22))
 OR {  125}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 64   and name HD1 ))
 OR {  125}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 64   and name HH2 ))
 OR {  125}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 65   and name HZ  ))
 OR {  125}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 57   and name HE22))
 OR {  125}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 64   and name HD1 ))
 OR {  125}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 63   and name HE22))
 OR {  125}
   (( segid "    " and resid 26   and name HB  ))
   (( segid "    " and resid 63   and name HE22))
 OR {  125}
   (( segid "    " and resid 26   and name HB  ))
   (( segid "    " and resid 64   and name HD1 ))
 OR {  125}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 64   and name HH2 ))
 OR {  125}
   (( segid "    " and resid 26   and name HB  ))
   (( segid "    " and resid 64   and name HH2 ))
 OR {  125}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 65   and name HZ  ))
 OR {  125}
   (( segid "    " and resid 26   and name HB  ))
   (( segid "    " and resid 65   and name HZ  ))
 OR {  125}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 49   and name HE22))
 OR {  125}
   (( segid "    " and resid 77   and name HB3 ))
   (  segid "    " and resid 43   and name HD% )
 OR {  125}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 12   and name HE21))
 OR {  125}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 80   and name HD22))
 OR {  125}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 80   and name HD22))
 OR {  125}
   (( segid "    " and resid 26   and name HB  ))
   (( segid "    " and resid 80   and name HD22))
 ASSI {  126}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 78   and name H   ))
      2.700     0.900     0.900 peak   126 spectrum    1 weight  0.10000E+01 volume  0.32482E-02 ppm1      2.163 ppm2      8.204 CV     1
 OR {  126}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 76   and name H   ))
 OR {  126}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 80   and name H   ))
 OR {  126}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 81   and name H   ))
 OR {  126}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 73   and name H   ))
 OR {  126}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 86   and name H   ))
 OR {  126}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 65   and name H   ))
 OR {  126}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 58   and name H   ))
 OR {  126}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 9    and name H   ))
 OR {  126}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 8    and name H   ))
 OR {  126}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 7    and name H   ))
 OR {  126}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 3    and name H   ))
 OR {  126}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 19   and name H   ))
 ASSI {  127}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 77   and name HG2 ))
      2.000     0.500     0.500 peak   127 spectrum    1 weight  0.10000E+01 volume  0.25041E-01 ppm1      1.753 ppm2      1.873 CV     1
 OR {  127}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 77   and name HG3 ))
 OR {  127}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 69   and name HB2 ))
 OR {  127}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 68   and name HB2 ))
 OR {  127}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 68   and name HG2 ))
 OR {  127}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 87   and name HB3 ))
 OR {  127}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 66   and name HB2 ))
 OR {  127}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 56   and name HB3 ))
 OR {  127}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 47   and name HB3 ))
 OR {  127}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 50   and name HB2 ))
 OR {  127}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 49   and name HB3 ))
 OR {  127}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 50   and name HB3 ))
 OR {  127}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 44   and name HB  ))
 OR {  127}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 41   and name HG3 ))
 OR {  127}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 12   and name HB2 ))
 OR {  127}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 13   and name HB3 ))
 OR {  127}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 32   and name HB2 ))
 OR {  127}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 5    and name HG2 ))
 OR {  127}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 15   and name HB3 ))
 OR {  127}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 5    and name HB3 ))
 OR {  127}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 5    and name HG3 ))
 OR {  127}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 4    and name HB2 ))
 OR {  127}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 28   and name HB3 ))
 OR {  127}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 27   and name HB  ))
 OR {  127}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 17   and name HG2 ))
 OR {  127}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 24   and name HB2 ))
 ASSI {  128}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 17   and name HB2 ))
      1.400     0.300     0.800 peak   128 spectrum    1 weight  0.10000E+01 volume  0.45098E-01 ppm1      1.752 ppm2      2.172 CV     1
 OR {  128}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 77   and name HB3 ))
 OR {  128}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 26   and name HB  ))
 OR {  128}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 30   and name HG2 ))
 OR {  128}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 28   and name HG3 ))
 OR {  128}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 5    and name HB2 ))
 OR {  128}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 30   and name HG3 ))
 OR {  128}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 30   and name HB3 ))
 OR {  128}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 32   and name HG3 ))
 OR {  128}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 33   and name HG2 ))
 OR {  128}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 69   and name HG3 ))
 OR {  128}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 69   and name HG2 ))
 OR {  128}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 54   and name HB  ))
 OR {  128}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 49   and name HB2 ))
 OR {  128}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 66   and name HG2 ))
 OR {  128}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 63   and name HG2 ))
 OR {  128}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 63   and name HG3 ))
 OR {  128}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 63   and name HG3 ))
 OR {  128}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 63   and name HG2 ))
 OR {  128}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 66   and name HG2 ))
 OR {  128}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 49   and name HB2 ))
 OR {  128}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 54   and name HB  ))
 OR {  128}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 69   and name HG2 ))
 OR {  128}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 69   and name HG3 ))
 OR {  128}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 33   and name HG2 ))
 OR {  128}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 32   and name HG3 ))
 OR {  128}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 5    and name HB2 ))
 OR {  128}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 30   and name HB3 ))
 OR {  128}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 30   and name HG3 ))
 OR {  128}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 30   and name HG2 ))
 OR {  128}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 28   and name HG3 ))
 OR {  128}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 77   and name HB3 ))
 OR {  128}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 17   and name HB2 ))
 OR {  128}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 26   and name HB  ))
 ASSI {  129}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 18   and name H   ))
      4.000     2.000     2.000 peak   129 spectrum    1 weight  0.10000E+01 volume  0.19489E-02 ppm1      1.744 ppm2      8.448 CV     1
 OR {  129}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 2    and name H   ))
 OR {  129}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 33   and name H   ))
 OR {  129}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 82   and name H   ))
 OR {  129}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 37   and name H   ))
 OR {  129}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 38   and name H   ))
 OR {  129}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 41   and name H   ))
 OR {  129}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 49   and name H   ))
 OR {  129}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 55   and name H   ))
 OR {  129}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 55   and name H   ))
 OR {  129}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 49   and name H   ))
 OR {  129}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 41   and name H   ))
 OR {  129}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 38   and name H   ))
 OR {  129}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 37   and name H   ))
 OR {  129}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 33   and name H   ))
 OR {  129}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 18   and name H   ))
 OR {  129}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 2    and name H   ))
 OR {  129}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 82   and name H   ))
 ASSI {  130}
   (( segid "    " and resid 77   and name HG3 ))
   (  segid "    " and resid 76   and name HD1%)
      3.900     1.900     1.900 peak   130 spectrum    1 weight  0.10000E+01 volume  0.27984E-02 ppm1      1.870 ppm2      0.782 CV     1
 OR {  130}
   (( segid "    " and resid 77   and name HG2 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  130}
   (( segid "    " and resid 77   and name HG2 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  130}
   (( segid "    " and resid 77   and name HG3 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  130}
   (( segid "    " and resid 77   and name HG3 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  130}
   (( segid "    " and resid 77   and name HG2 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  130}
   (( segid "    " and resid 77   and name HG2 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  130}
   (( segid "    " and resid 77   and name HG3 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  130}
   (( segid "    " and resid 77   and name HG2 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  130}
   (( segid "    " and resid 77   and name HG3 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  130}
   (( segid "    " and resid 77   and name HG3 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  130}
   (( segid "    " and resid 77   and name HG3 ))
   (  segid "    " and resid 84   and name HD1%)
 OR {  130}
   (( segid "    " and resid 77   and name HG2 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  130}
   (( segid "    " and resid 77   and name HG2 ))
   (  segid "    " and resid 84   and name HD1%)
 OR {  130}
   (( segid "    " and resid 77   and name HG2 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  130}
   (( segid "    " and resid 77   and name HG3 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  130}
   (( segid "    " and resid 77   and name HG2 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  130}
   (( segid "    " and resid 77   and name HG3 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  130}
   (( segid "    " and resid 77   and name HG2 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  130}
   (( segid "    " and resid 77   and name HG2 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  130}
   (( segid "    " and resid 77   and name HG3 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  130}
   (( segid "    " and resid 77   and name HG3 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  130}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 52   and name HG13))
 OR {  130}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 52   and name HG13))
 OR {  130}
   (( segid "    " and resid 77   and name HG2 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  130}
   (( segid "    " and resid 77   and name HG3 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  130}
   (( segid "    " and resid 77   and name HG2 ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  130}
   (( segid "    " and resid 77   and name HG3 ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  130}
   (( segid "    " and resid 77   and name HG2 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  130}
   (( segid "    " and resid 77   and name HG2 ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  130}
   (( segid "    " and resid 77   and name HG2 ))
   (  segid "    " and resid 3    and name HD1%)
 OR {  130}
   (( segid "    " and resid 77   and name HG3 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  130}
   (( segid "    " and resid 77   and name HG3 ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  130}
   (( segid "    " and resid 77   and name HG3 ))
   (  segid "    " and resid 3    and name HD1%)
 OR {  130}
   (( segid "    " and resid 77   and name HG2 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  130}
   (( segid "    " and resid 77   and name HG3 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  130}
   (( segid "    " and resid 77   and name HG2 ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  130}
   (( segid "    " and resid 77   and name HG2 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  130}
   (( segid "    " and resid 77   and name HG3 ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  130}
   (( segid "    " and resid 77   and name HG3 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  130}
   (( segid "    " and resid 77   and name HG2 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  130}
   (( segid "    " and resid 77   and name HG3 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  130}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {  130}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 23   and name HB3 ))
 ASSI {  131}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 76   and name HB3 ))
      4.200     2.200     1.800 peak   131 spectrum    1 weight  0.10000E+01 volume  0.16935E-02 ppm1      1.867 ppm2      1.446 CV     1
 OR {  131}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 76   and name HB3 ))
 OR {  131}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 78   and name HG3 ))
 OR {  131}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 78   and name HG3 ))
 OR {  131}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 79   and name HB2 ))
 OR {  131}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 79   and name HG  ))
 OR {  131}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 79   and name HB2 ))
 OR {  131}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 79   and name HG  ))
 OR {  131}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 72   and name HB3 ))
 OR {  131}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 72   and name HG  ))
 OR {  131}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 72   and name HB3 ))
 OR {  131}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 72   and name HG  ))
 OR {  131}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 72   and name HB2 ))
 OR {  131}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 72   and name HB2 ))
 OR {  131}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 84   and name HB2 ))
 OR {  131}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 84   and name HB2 ))
 OR {  131}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 86   and name HG3 ))
 OR {  131}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 86   and name HG3 ))
 OR {  131}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 61   and name HB2 ))
 OR {  131}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 61   and name HB2 ))
 OR {  131}
   (( segid "    " and resid 77   and name HG2 ))
   (  segid "    " and resid 48   and name HB% )
 OR {  131}
   (( segid "    " and resid 77   and name HG3 ))
   (  segid "    " and resid 48   and name HB% )
 OR {  131}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 56   and name HG2 ))
 OR {  131}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 56   and name HG2 ))
 OR {  131}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 50   and name HG2 ))
 OR {  131}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 50   and name HG2 ))
 OR {  131}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 52   and name HB  ))
 OR {  131}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 52   and name HB  ))
 OR {  131}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 40   and name HB2 ))
 OR {  131}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 40   and name HB2 ))
 OR {  131}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 15   and name HG2 ))
 OR {  131}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 15   and name HB2 ))
 OR {  131}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 15   and name HG3 ))
 OR {  131}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 15   and name HG2 ))
 OR {  131}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 15   and name HB2 ))
 OR {  131}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 15   and name HG3 ))
 OR {  131}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 3    and name HB3 ))
 OR {  131}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 3    and name HB2 ))
 OR {  131}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 3    and name HB3 ))
 OR {  131}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 3    and name HB2 ))
 OR {  131}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 2    and name HB3 ))
 OR {  131}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 27   and name HG12))
 OR {  131}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 2    and name HB3 ))
 OR {  131}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 27   and name HG12))
 OR {  131}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 2    and name HB2 ))
 OR {  131}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 2    and name HG  ))
 OR {  131}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 2    and name HB2 ))
 OR {  131}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 18   and name HB2 ))
 OR {  131}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 2    and name HG  ))
 OR {  131}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 25   and name HG2 ))
 OR {  131}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 18   and name HB2 ))
 OR {  131}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 25   and name HG2 ))
 OR {  131}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 23   and name HB2 ))
 OR {  131}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 23   and name HB2 ))
 OR {  131}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 23   and name HG  ))
 OR {  131}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 23   and name HG  ))
 OR {  131}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 22   and name HG  ))
 OR {  131}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 22   and name HG  ))
 OR {  131}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 21   and name HG2 ))
 OR {  131}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 21   and name HG2 ))
 ASSI {  132}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 73   and name HD2 ))
      2.500     0.800     0.800 peak   132 spectrum    1 weight  0.10000E+01 volume  0.75514E-03 ppm1      1.870 ppm2      7.166 CV     1
 OR {  132}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 73   and name HD2 ))
 OR {  132}
   (( segid "    " and resid 77   and name HG3 ))
   (  segid "    " and resid 81   and name HD% )
 OR {  132}
   (( segid "    " and resid 77   and name HG2 ))
   (  segid "    " and resid 81   and name HD% )
 OR {  132}
   (( segid "    " and resid 77   and name HG3 ))
   (  segid "    " and resid 81   and name HE% )
 OR {  132}
   (( segid "    " and resid 77   and name HG2 ))
   (  segid "    " and resid 81   and name HE% )
 OR {  132}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 70   and name HE  ))
 OR {  132}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 70   and name HE  ))
 OR {  132}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 85   and name HE  ))
 OR {  132}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 85   and name HE  ))
 OR {  132}
   (( segid "    " and resid 77   and name HG2 ))
   (  segid "    " and resid 65   and name HD% )
 OR {  132}
   (( segid "    " and resid 77   and name HG3 ))
   (  segid "    " and resid 65   and name HD% )
 OR {  132}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 64   and name HZ2 ))
 OR {  132}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 64   and name HZ2 ))
 OR {  132}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 58   and name HD22))
 OR {  132}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 58   and name HD22))
 OR {  132}
   (( segid "    " and resid 77   and name HG2 ))
   (  segid "    " and resid 43   and name HE% )
 OR {  132}
   (( segid "    " and resid 77   and name HG3 ))
   (  segid "    " and resid 43   and name HE% )
 OR {  132}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 39   and name HD2 ))
 OR {  132}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 39   and name HD2 ))
 OR {  132}
   (( segid "    " and resid 77   and name HG2 ))
   (  segid "    " and resid 1    and name HD% )
 OR {  132}
   (( segid "    " and resid 77   and name HG3 ))
   (  segid "    " and resid 1    and name HD% )
 OR {  132}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 26   and name H   ))
 OR {  132}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 26   and name H   ))
 OR {  132}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 22   and name H   ))
 OR {  132}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 22   and name H   ))
 ASSI {  133}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 13   and name HD1%)
      3.700     1.800     1.800 peak   133 spectrum    1 weight  0.10000E+01 volume  0.24764E-02 ppm1      4.130 ppm2      0.820 CV     1
 OR {  133}
   (( segid "    " and resid 75   and name HB  ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  133}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  133}
   (( segid "    " and resid 75   and name HB  ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  133}
   (( segid "    " and resid 75   and name HB  ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  133}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  133}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  133}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 52   and name HG13))
 OR {  133}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 3    and name HD1%)
 OR {  133}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 27   and name HG2%)
 OR {  133}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  133}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  133}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  133}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  133}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {  133}
   (( segid "    " and resid 75   and name HB  ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  133}
   (( segid "    " and resid 75   and name HB  ))
   (  segid "    " and resid 84   and name HD1%)
 OR {  133}
   (( segid "    " and resid 75   and name HB  ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  133}
   (( segid "    " and resid 75   and name HB  ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  133}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  133}
   (( segid "    " and resid 75   and name HB  ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  133}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 52   and name HG13))
 OR {  133}
   (( segid "    " and resid 75   and name HB  ))
   (  segid "    " and resid 13   and name HD1%)
 OR {  133}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  133}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  133}
   (( segid "    " and resid 75   and name HB  ))
   (  segid "    " and resid 27   and name HG2%)
 OR {  133}
   (( segid "    " and resid 75   and name HB  ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  133}
   (( segid "    " and resid 75   and name HB  ))
   (  segid "    " and resid 3    and name HD1%)
 OR {  133}
   (( segid "    " and resid 75   and name HB  ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  133}
   (( segid "    " and resid 75   and name HB  ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  133}
   (( segid "    " and resid 75   and name HB  ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  133}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  133}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 84   and name HD1%)
 OR {  133}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 23   and name HB3 ))
 ASSI {  134}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 76   and name HB2 ))
      3.700     1.700     1.700 peak   134 spectrum    1 weight  0.10000E+01 volume  0.20266E-02 ppm1      4.130 ppm2      1.563 CV     1
 OR {  134}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 76   and name HG  ))
 OR {  134}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 72   and name HB3 ))
 OR {  134}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {  134}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {  134}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 78   and name HD2 ))
 OR {  134}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 78   and name HD3 ))
 OR {  134}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 70   and name HG2 ))
 OR {  134}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 70   and name HG3 ))
 OR {  134}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 84   and name HB2 ))
 OR {  134}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 84   and name HB3 ))
 OR {  134}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 84   and name HG  ))
 OR {  134}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {  134}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 85   and name HG3 ))
 OR {  134}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 86   and name HD3 ))
 OR {  134}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 86   and name HD2 ))
 OR {  134}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 61   and name HB3 ))
 OR {  134}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 47   and name HG  ))
 OR {  134}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 45   and name HG  ))
 OR {  134}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 45   and name HB3 ))
 OR {  134}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 52   and name HB  ))
 OR {  134}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 13   and name HG  ))
 OR {  134}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 31   and name HB2 ))
 OR {  134}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {  134}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {  134}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 3    and name HG  ))
 OR {  134}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {  134}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {  134}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {  134}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 22   and name HB3 ))
 OR {  134}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 21   and name HD2 ))
 OR {  134}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 21   and name HD3 ))
 ASSI {  135}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 8    and name H   ))
      2.200     0.600     0.600 peak   135 spectrum    1 weight  0.10000E+01 volume  0.10150E-01 ppm1      4.130 ppm2      8.251 CV     1
 OR {  135}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 76   and name H   ))
 OR {  135}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 74   and name H   ))
 OR {  135}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 9    and name H   ))
 OR {  135}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 73   and name H   ))
 OR {  135}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 78   and name H   ))
 OR {  135}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 3    and name H   ))
 OR {  135}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 80   and name H   ))
 OR {  135}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 81   and name H   ))
 OR {  135}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 58   and name H   ))
 OR {  135}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 86   and name H   ))
 OR {  135}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 58   and name H   ))
 OR {  135}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 73   and name H   ))
 OR {  135}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 9    and name H   ))
 OR {  135}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 74   and name H   ))
 OR {  135}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 8    and name H   ))
 OR {  135}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 76   and name H   ))
 OR {  135}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 78   and name H   ))
 OR {  135}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 3    and name H   ))
 OR {  135}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 80   and name H   ))
 OR {  135}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 81   and name H   ))
 OR {  135}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 86   and name H   ))
 ASSI {  136}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 76   and name HB2 ))
      3.000     1.100     1.100 peak   136 spectrum    1 weight  0.10000E+01 volume  0.29150E-02 ppm1      4.301 ppm2      1.560 CV     1
 OR {  136}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 76   and name HG  ))
 OR {  136}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 72   and name HB3 ))
 OR {  136}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 78   and name HD2 ))
 OR {  136}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {  136}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 78   and name HD3 ))
 OR {  136}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {  136}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 70   and name HG2 ))
 OR {  136}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 70   and name HG3 ))
 OR {  136}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 84   and name HB2 ))
 OR {  136}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 84   and name HB3 ))
 OR {  136}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 84   and name HG  ))
 OR {  136}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {  136}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 85   and name HG3 ))
 OR {  136}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 86   and name HD3 ))
 OR {  136}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 86   and name HD2 ))
 OR {  136}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 61   and name HB3 ))
 OR {  136}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 47   and name HG  ))
 OR {  136}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 45   and name HG  ))
 OR {  136}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 45   and name HB3 ))
 OR {  136}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 52   and name HB  ))
 OR {  136}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 13   and name HG  ))
 OR {  136}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
 OR {  136}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {  136}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {  136}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 3    and name HG  ))
 OR {  136}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {  136}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {  136}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {  136}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 22   and name HB3 ))
 OR {  136}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 21   and name HD2 ))
 OR {  136}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 21   and name HD3 ))
 ASSI {  137}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 76   and name H   ))
      2.100     0.600     0.600 peak   137 spectrum    1 weight  0.10000E+01 volume  0.20927E-01 ppm1      4.300 ppm2      8.257 CV     1
 OR {  137}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 74   and name H   ))
 OR {  137}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 73   and name H   ))
 OR {  137}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 78   and name H   ))
 OR {  137}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 80   and name H   ))
 OR {  137}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 81   and name H   ))
 OR {  137}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 86   and name H   ))
 OR {  137}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 58   and name H   ))
 OR {  137}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 9    and name H   ))
 OR {  137}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 8    and name H   ))
 OR {  137}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 3    and name H   ))
 ASSI {  138}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 7    and name HB  ))
      1.800     0.400     0.400 peak   138 spectrum    1 weight  0.10000E+01 volume  0.40094E-01 ppm1      1.137 ppm2      4.130 CV     1
 OR {  138}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 75   and name HB  ))
 OR {  138}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 7    and name HB  ))
 OR {  138}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 72   and name HA  ))
 OR {  138}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 71   and name HA  ))
 OR {  138}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 1    and name HA  ))
 OR {  138}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 70   and name HA  ))
 OR {  138}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 19   and name HB2 ))
 OR {  138}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 20   and name HA  ))
 OR {  138}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 1    and name HA  ))
 OR {  138}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 24   and name HA  ))
 OR {  138}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 19   and name HB2 ))
 OR {  138}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 20   and name HA  ))
 OR {  138}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 24   and name HA  ))
 OR {  138}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 65   and name HA  ))
 OR {  138}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 62   and name HA  ))
 OR {  138}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 63   and name HA  ))
 OR {  138}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 63   and name HA  ))
 OR {  138}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 62   and name HA  ))
 OR {  138}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 62   and name HA  ))
 OR {  138}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 63   and name HA  ))
 OR {  138}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 65   and name HA  ))
 OR {  138}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 65   and name HA  ))
 OR {  138}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 70   and name HA  ))
 OR {  138}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 71   and name HA  ))
 OR {  138}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 70   and name HA  ))
 OR {  138}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 72   and name HA  ))
 OR {  138}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 71   and name HA  ))
 OR {  138}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 72   and name HA  ))
 OR {  138}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 75   and name HB  ))
 OR {  138}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 75   and name HB  ))
 OR {  138}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 7    and name HB  ))
 OR {  138}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 1    and name HA  ))
 OR {  138}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 19   and name HB2 ))
 OR {  138}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 24   and name HA  ))
 OR {  138}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 20   and name HA  ))
 ASSI {  139}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 12   and name HA  ))
      3.100     1.200     1.200 peak   139 spectrum    1 weight  0.10000E+01 volume  0.21321E-02 ppm1      1.136 ppm2      4.531 CV     1
 OR {  139}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 76   and name HA  ))
 OR {  139}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 10   and name HA  ))
 OR {  139}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 9    and name HA  ))
 OR {  139}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 9    and name HA  ))
 OR {  139}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 12   and name HA  ))
 OR {  139}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 14   and name HA  ))
 OR {  139}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 73   and name HA  ))
 OR {  139}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 14   and name HA  ))
 OR {  139}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 4    and name HA  ))
 OR {  139}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 52   and name HA  ))
 OR {  139}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 10   and name HA  ))
 OR {  139}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 3    and name HA  ))
 OR {  139}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 31   and name HA  ))
 OR {  139}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 44   and name HA  ))
 OR {  139}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 31   and name HA  ))
 OR {  139}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 32   and name HA  ))
 OR {  139}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 17   and name HA  ))
 OR {  139}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 44   and name HA  ))
 OR {  139}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 32   and name HA  ))
 OR {  139}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 4    and name HA  ))
 OR {  139}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 45   and name HA  ))
 OR {  139}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 52   and name HA  ))
 OR {  139}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 45   and name HA  ))
 OR {  139}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 17   and name HA  ))
 OR {  139}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 3    and name HA  ))
 OR {  139}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 57   and name HA  ))
 OR {  139}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 57   and name HA  ))
 OR {  139}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 87   and name HA  ))
 OR {  139}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 57   and name HA  ))
 OR {  139}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 52   and name HA  ))
 OR {  139}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 45   and name HA  ))
 OR {  139}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 73   and name HA  ))
 OR {  139}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 44   and name HA  ))
 OR {  139}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 10   and name HA  ))
 OR {  139}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 73   and name HA  ))
 OR {  139}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 9    and name HA  ))
 OR {  139}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 76   and name HA  ))
 OR {  139}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 12   and name HA  ))
 OR {  139}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 76   and name HA  ))
 OR {  139}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 14   and name HA  ))
 OR {  139}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 32   and name HA  ))
 OR {  139}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 31   and name HA  ))
 OR {  139}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 4    and name HA  ))
 OR {  139}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 3    and name HA  ))
 OR {  139}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 17   and name HA  ))
 OR {  139}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 87   and name HA  ))
 OR {  139}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 87   and name HA  ))
 ASSI {  140}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 7    and name HA  ))
      1.900     0.500     0.500 peak   140 spectrum    1 weight  0.10000E+01 volume  0.25670E-01 ppm1      1.139 ppm2      4.288 CV     1
 OR {  140}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 37   and name HA  ))
 OR {  140}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 75   and name HA  ))
 OR {  140}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 8    and name HA  ))
 OR {  140}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 77   and name HA  ))
 OR {  140}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 15   and name HA  ))
 OR {  140}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 11   and name HA  ))
 OR {  140}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 11   and name HB  ))
 OR {  140}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 16   and name HA  ))
 OR {  140}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 33   and name HA  ))
 OR {  140}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 79   and name HA  ))
 OR {  140}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 2    and name HA  ))
 OR {  140}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 27   and name HA  ))
 OR {  140}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 25   and name HA  ))
 OR {  140}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 55   and name HA  ))
 OR {  140}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 56   and name HA  ))
 OR {  140}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 84   and name HA  ))
 OR {  140}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 85   and name HA  ))
 OR {  140}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 86   and name HA  ))
 OR {  140}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 64   and name HA  ))
 OR {  140}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 60   and name HA  ))
 OR {  140}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 60   and name HA  ))
 OR {  140}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 64   and name HA  ))
 OR {  140}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 56   and name HA  ))
 OR {  140}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 55   and name HA  ))
 OR {  140}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 11   and name HB  ))
 OR {  140}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 11   and name HA  ))
 OR {  140}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 8    and name HA  ))
 OR {  140}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 75   and name HA  ))
 OR {  140}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 7    and name HA  ))
 OR {  140}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 37   and name HA  ))
 OR {  140}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 33   and name HA  ))
 OR {  140}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 77   and name HA  ))
 OR {  140}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 15   and name HA  ))
 OR {  140}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 16   and name HA  ))
 OR {  140}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 79   and name HA  ))
 OR {  140}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 27   and name HA  ))
 OR {  140}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 2    and name HA  ))
 OR {  140}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 25   and name HA  ))
 OR {  140}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 84   and name HA  ))
 OR {  140}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 85   and name HA  ))
 OR {  140}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 86   and name HA  ))
 ASSI {  141}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 38   and name HB2 ))
      4.000     2.000     2.000 peak   141 spectrum    1 weight  0.10000E+01 volume  0.12715E-02 ppm1      1.136 ppm2      2.908 CV     1
 OR {  141}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 9    and name HB3 ))
 OR {  141}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 9    and name HB3 ))
 OR {  141}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 38   and name HB2 ))
 OR {  141}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 78   and name HE3 ))
 OR {  141}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 15   and name HD3 ))
 OR {  141}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 71   and name HE2 ))
 OR {  141}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 71   and name HE3 ))
 OR {  141}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 78   and name HE2 ))
 OR {  141}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 16   and name HE2 ))
 OR {  141}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 16   and name HE3 ))
 OR {  141}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 15   and name HD3 ))
 OR {  141}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 16   and name HE3 ))
 OR {  141}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 81   and name HB3 ))
 OR {  141}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 25   and name HE2 ))
 OR {  141}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 16   and name HE2 ))
 OR {  141}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 55   and name HB2 ))
 OR {  141}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 25   and name HE3 ))
 OR {  141}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 25   and name HE2 ))
 OR {  141}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 55   and name HB2 ))
 OR {  141}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 25   and name HE3 ))
 OR {  141}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 21   and name HE3 ))
 OR {  141}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 21   and name HE2 ))
 OR {  141}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 21   and name HE3 ))
 OR {  141}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 21   and name HE2 ))
 OR {  141}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 86   and name HE2 ))
 OR {  141}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 86   and name HE3 ))
 OR {  141}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 55   and name HB2 ))
 OR {  141}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 71   and name HE3 ))
 OR {  141}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 71   and name HE2 ))
 OR {  141}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 71   and name HE2 ))
 OR {  141}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 71   and name HE3 ))
 OR {  141}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 9    and name HB3 ))
 OR {  141}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 38   and name HB2 ))
 OR {  141}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 78   and name HE3 ))
 OR {  141}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 78   and name HE2 ))
 OR {  141}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 15   and name HD3 ))
 OR {  141}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 78   and name HE3 ))
 OR {  141}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 78   and name HE2 ))
 OR {  141}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 16   and name HE3 ))
 OR {  141}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 16   and name HE2 ))
 OR {  141}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 81   and name HB3 ))
 OR {  141}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 25   and name HE2 ))
 OR {  141}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 25   and name HE3 ))
 OR {  141}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 81   and name HB3 ))
 OR {  141}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 21   and name HE3 ))
 OR {  141}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 21   and name HE2 ))
 OR {  141}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 86   and name HE2 ))
 OR {  141}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 86   and name HE3 ))
 OR {  141}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 86   and name HE2 ))
 OR {  141}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 86   and name HE3 ))
 ASSI {  142}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 12   and name HG2 ))
      3.800     1.800     1.800 peak   142 spectrum    1 weight  0.10000E+01 volume  0.13715E-02 ppm1      1.127 ppm2      2.265 CV     1
 OR {  142}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 12   and name HG3 ))
 OR {  142}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 5    and name HB2 ))
 OR {  142}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 12   and name HG3 ))
 OR {  142}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 12   and name HG2 ))
 OR {  142}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 33   and name HG2 ))
 OR {  142}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 4    and name HB3 ))
 OR {  142}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 41   and name HG2 ))
 OR {  142}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 32   and name HG2 ))
 OR {  142}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 28   and name HG2 ))
 OR {  142}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 33   and name HG2 ))
 OR {  142}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 30   and name HG2 ))
 OR {  142}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 5    and name HB2 ))
 OR {  142}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 41   and name HG2 ))
 OR {  142}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 32   and name HG2 ))
 OR {  142}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 54   and name HB  ))
 OR {  142}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 4    and name HB3 ))
 OR {  142}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 30   and name HG2 ))
 OR {  142}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 49   and name HB2 ))
 OR {  142}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 49   and name HG2 ))
 OR {  142}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 49   and name HG3 ))
 OR {  142}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 28   and name HG2 ))
 OR {  142}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 54   and name HB  ))
 OR {  142}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 56   and name HD3 ))
 OR {  142}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 69   and name HG3 ))
 OR {  142}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 49   and name HB2 ))
 OR {  142}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 49   and name HG3 ))
 OR {  142}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 49   and name HG2 ))
 OR {  142}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 56   and name HD3 ))
 OR {  142}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 66   and name HG3 ))
 OR {  142}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 63   and name HG2 ))
 OR {  142}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 63   and name HG3 ))
 OR {  142}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 63   and name HG3 ))
 OR {  142}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 63   and name HG2 ))
 OR {  142}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 63   and name HG3 ))
 OR {  142}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 63   and name HG2 ))
 OR {  142}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 66   and name HG3 ))
 OR {  142}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 66   and name HG3 ))
 OR {  142}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 69   and name HG3 ))
 OR {  142}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 56   and name HD3 ))
 OR {  142}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 49   and name HG2 ))
 OR {  142}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 49   and name HG3 ))
 OR {  142}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 69   and name HG3 ))
 OR {  142}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 49   and name HB2 ))
 OR {  142}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 54   and name HB  ))
 OR {  142}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 41   and name HG2 ))
 OR {  142}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 12   and name HG2 ))
 OR {  142}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 12   and name HG3 ))
 OR {  142}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 33   and name HG2 ))
 OR {  142}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 32   and name HG2 ))
 OR {  142}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 5    and name HB2 ))
 OR {  142}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 30   and name HG2 ))
 OR {  142}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 4    and name HB3 ))
 OR {  142}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 28   and name HG2 ))
 ASSI {  143}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 39   and name HB2 ))
      4.100     2.100     1.900 peak   143 spectrum    1 weight  0.10000E+01 volume  0.16158E-02 ppm1      1.134 ppm2      3.087 CV     1
 OR {  143}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 14   and name HB3 ))
 OR {  143}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 14   and name HB2 ))
 OR {  143}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 73   and name HB2 ))
 OR {  143}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 14   and name HB2 ))
 OR {  143}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 14   and name HB3 ))
 OR {  143}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 39   and name HB2 ))
 OR {  143}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 50   and name HD3 ))
 OR {  143}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 50   and name HD2 ))
 OR {  143}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 70   and name HD3 ))
 OR {  143}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 70   and name HD2 ))
 OR {  143}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 46   and name HB3 ))
 OR {  143}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 1    and name HB3 ))
 OR {  143}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 1    and name HB2 ))
 OR {  143}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 81   and name HB2 ))
 OR {  143}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 46   and name HB3 ))
 OR {  143}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 50   and name HD3 ))
 OR {  143}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 24   and name HD3 ))
 OR {  143}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 50   and name HD2 ))
 OR {  143}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 24   and name HD2 ))
 OR {  143}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 1    and name HB3 ))
 OR {  143}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 1    and name HB2 ))
 OR {  143}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 24   and name HD3 ))
 OR {  143}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 24   and name HD2 ))
 OR {  143}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 58   and name HB3 ))
 OR {  143}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 67   and name HB3 ))
 OR {  143}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 85   and name HD3 ))
 OR {  143}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 85   and name HD2 ))
 OR {  143}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 58   and name HB3 ))
 OR {  143}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 65   and name HB2 ))
 OR {  143}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 64   and name HB2 ))
 OR {  143}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 64   and name HB3 ))
 OR {  143}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 64   and name HB3 ))
 OR {  143}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 64   and name HB2 ))
 OR {  143}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 65   and name HB2 ))
 OR {  143}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 64   and name HB3 ))
 OR {  143}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 64   and name HB2 ))
 OR {  143}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 65   and name HB2 ))
 OR {  143}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 67   and name HB3 ))
 OR {  143}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 58   and name HB3 ))
 OR {  143}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 67   and name HB3 ))
 OR {  143}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 70   and name HD2 ))
 OR {  143}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 70   and name HD3 ))
 OR {  143}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 50   and name HD2 ))
 OR {  143}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 46   and name HB3 ))
 OR {  143}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 50   and name HD3 ))
 OR {  143}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 70   and name HD2 ))
 OR {  143}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 70   and name HD3 ))
 OR {  143}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 73   and name HB2 ))
 OR {  143}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 73   and name HB2 ))
 OR {  143}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 39   and name HB2 ))
 OR {  143}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 14   and name HB2 ))
 OR {  143}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 14   and name HB3 ))
 OR {  143}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 81   and name HB2 ))
 OR {  143}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 1    and name HB3 ))
 OR {  143}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 1    and name HB2 ))
 OR {  143}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 81   and name HB2 ))
 OR {  143}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 24   and name HD3 ))
 OR {  143}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 24   and name HD2 ))
 OR {  143}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 85   and name HD3 ))
 OR {  143}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 85   and name HD2 ))
 OR {  143}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 85   and name HD3 ))
 OR {  143}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 85   and name HD2 ))
 ASSI {  144}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 76   and name H   ))
      2.600     0.800     0.800 peak   144 spectrum    1 weight  0.10000E+01 volume  0.94392E-02 ppm1      1.146 ppm2      8.243 CV     1
 OR {  144}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 8    and name H   ))
 OR {  144}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 7    and name H   ))
 OR {  144}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 74   and name H   ))
 OR {  144}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 9    and name H   ))
 OR {  144}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 78   and name H   ))
 OR {  144}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 73   and name H   ))
 OR {  144}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 3    and name H   ))
 OR {  144}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 80   and name H   ))
 OR {  144}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 81   and name H   ))
 OR {  144}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 58   and name H   ))
 OR {  144}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 86   and name H   ))
 OR {  144}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 58   and name H   ))
 OR {  144}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 73   and name H   ))
 OR {  144}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 9    and name H   ))
 OR {  144}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 74   and name H   ))
 OR {  144}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 8    and name H   ))
 OR {  144}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 7    and name H   ))
 OR {  144}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 76   and name H   ))
 OR {  144}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 78   and name H   ))
 OR {  144}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 3    and name H   ))
 OR {  144}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 80   and name H   ))
 OR {  144}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 81   and name H   ))
 OR {  144}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 86   and name H   ))
 ASSI {  145}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 39   and name H   ))
      2.700     0.900     0.900 peak   145 spectrum    1 weight  0.10000E+01 volume  0.39311E-02 ppm1      1.132 ppm2      8.007 CV     1
 OR {  145}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 75   and name H   ))
 OR {  145}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 35   and name H   ))
 OR {  145}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 35   and name H   ))
 OR {  145}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 39   and name H   ))
 OR {  145}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 72   and name H   ))
 OR {  145}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 71   and name H   ))
 OR {  145}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 70   and name H   ))
 OR {  145}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 83   and name H   ))
 OR {  145}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 84   and name H   ))
 OR {  145}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 66   and name H   ))
 OR {  145}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 66   and name H   ))
 OR {  145}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 66   and name H   ))
 OR {  145}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 70   and name H   ))
 OR {  145}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 71   and name H   ))
 OR {  145}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 70   and name H   ))
 OR {  145}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 72   and name H   ))
 OR {  145}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 71   and name H   ))
 OR {  145}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 72   and name H   ))
 OR {  145}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 75   and name H   ))
 OR {  145}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 39   and name H   ))
 OR {  145}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 75   and name H   ))
 OR {  145}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 35   and name H   ))
 OR {  145}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 83   and name H   ))
 OR {  145}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 84   and name H   ))
 OR {  145}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 83   and name H   ))
 OR {  145}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 84   and name H   ))
 ASSI {  146}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 74   and name HA2 ))
      2.600     0.900     0.900 peak   146 spectrum    1 weight  0.10000E+01 volume  0.17490E-02 ppm1      1.132 ppm2      3.983 CV     1
 OR {  146}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 74   and name HA3 ))
 OR {  146}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 36   and name HA3 ))
 OR {  146}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 36   and name HA3 ))
 OR {  146}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 48   and name HA  ))
 OR {  146}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 69   and name HA  ))
 OR {  146}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 48   and name HA  ))
 OR {  146}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 68   and name HA  ))
 OR {  146}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 22   and name HA  ))
 OR {  146}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 59   and name HD3 ))
 OR {  146}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 22   and name HA  ))
 OR {  146}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 66   and name HA  ))
 OR {  146}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 59   and name HD3 ))
 OR {  146}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 61   and name HA  ))
 OR {  146}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 62   and name HB2 ))
 OR {  146}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 62   and name HB3 ))
 OR {  146}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 61   and name HA  ))
 OR {  146}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 62   and name HB3 ))
 OR {  146}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 62   and name HB2 ))
 OR {  146}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 62   and name HB2 ))
 OR {  146}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 62   and name HB3 ))
 OR {  146}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 61   and name HA  ))
 OR {  146}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 66   and name HA  ))
 OR {  146}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 59   and name HD3 ))
 OR {  146}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 66   and name HA  ))
 OR {  146}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 68   and name HA  ))
 OR {  146}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 69   and name HA  ))
 OR {  146}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 68   and name HA  ))
 OR {  146}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 48   and name HA  ))
 OR {  146}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 69   and name HA  ))
 OR {  146}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 74   and name HA3 ))
 OR {  146}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 74   and name HA2 ))
 OR {  146}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 74   and name HA3 ))
 OR {  146}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 74   and name HA2 ))
 OR {  146}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 36   and name HA3 ))
 OR {  146}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 22   and name HA  ))
 ASSI {  147}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 6    and name HB2 ))
      3.600     1.600     1.600 peak   147 spectrum    1 weight  0.10000E+01 volume  0.23598E-02 ppm1      1.154 ppm2      3.831 CV     1
 OR {  147}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 6    and name HB3 ))
 OR {  147}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 34   and name HA  ))
 OR {  147}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 4    and name HD3 ))
 OR {  147}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 19   and name HB3 ))
 OR {  147}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 82   and name HA2 ))
 OR {  147}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 82   and name HA3 ))
 OR {  147}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 21   and name HA  ))
 OR {  147}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 6    and name HB2 ))
 OR {  147}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 34   and name HA  ))
 OR {  147}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 6    and name HB3 ))
 OR {  147}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 4    and name HD3 ))
 OR {  147}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 19   and name HB3 ))
 OR {  147}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 82   and name HA2 ))
 OR {  147}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 82   and name HA3 ))
 OR {  147}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 21   and name HA  ))
 ASSI {  148}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 77   and name HD2 ))
      3.800     1.800     1.800 peak   148 spectrum    1 weight  0.10000E+01 volume  0.24042E-02 ppm1      1.151 ppm2      3.552 CV     1
 OR {  148}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 5    and name HD3 ))
 OR {  148}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 4    and name HD2 ))
 OR {  148}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 17   and name HD2 ))
 OR {  148}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 77   and name HD2 ))
 OR {  148}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 5    and name HD3 ))
 OR {  148}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 4    and name HD2 ))
 OR {  148}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 17   and name HD2 ))
 ASSI {  149}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 74   and name HA2 ))
      2.200     0.600     0.600 peak   149 spectrum    1 weight  0.10000E+01 volume  0.13604E-02 ppm1      1.131 ppm2      3.913 CV     1
 OR {  149}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 74   and name HA3 ))
 OR {  149}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 19   and name HB3 ))
 OR {  149}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 19   and name HB3 ))
 OR {  149}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 60   and name HB3 ))
 OR {  149}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 60   and name HB3 ))
 OR {  149}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 62   and name HB2 ))
 OR {  149}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 62   and name HB3 ))
 OR {  149}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 62   and name HB3 ))
 OR {  149}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 62   and name HB2 ))
 OR {  149}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 62   and name HB2 ))
 OR {  149}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 62   and name HB3 ))
 OR {  149}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 60   and name HB3 ))
 OR {  149}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 74   and name HA3 ))
 OR {  149}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 74   and name HA2 ))
 OR {  149}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 74   and name HA3 ))
 OR {  149}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 74   and name HA2 ))
 OR {  149}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 19   and name HB3 ))
 ASSI {  150}
   (( segid "    " and resid 74   and name HA3 ))
   (  segid "    " and resid 75   and name HG2%)
      4.100     2.100     1.900 peak   150 spectrum    1 weight  0.10000E+01 volume  0.12104E-02 ppm1      3.921 ppm2      1.130 CV     1
 OR {  150}
   (( segid "    " and resid 74   and name HA3 ))
   (  segid "    " and resid 42   and name HB% )
 OR {  150}
   (( segid "    " and resid 74   and name HA3 ))
   (  segid "    " and resid 11   and name HG2%)
 OR {  150}
   (( segid "    " and resid 74   and name HA3 ))
   (  segid "    " and resid 7    and name HG2%)
 OR {  150}
   (( segid "    " and resid 74   and name HA3 ))
   (  segid "    " and resid 34   and name HB% )
 OR {  150}
   (( segid "    " and resid 74   and name HA3 ))
   (( segid "    " and resid 13   and name HB2 ))
 OR {  150}
   (( segid "    " and resid 74   and name HA3 ))
   (( segid "    " and resid 31   and name HG  ))
 ASSI {  151}
   (( segid "    " and resid 74   and name HA2 ))
   (  segid "    " and resid 72   and name HD1%)
      2.800     1.000     1.000 peak   151 spectrum    1 weight  0.10000E+01 volume  0.11438E-02 ppm1      3.956 ppm2      0.781 CV     1
 OR {  151}
   (( segid "    " and resid 74   and name HA2 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  151}
   (( segid "    " and resid 74   and name HA2 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  151}
   (( segid "    " and resid 74   and name HA2 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  151}
   (( segid "    " and resid 74   and name HA2 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  151}
   (( segid "    " and resid 74   and name HA2 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  151}
   (( segid "    " and resid 74   and name HA2 ))
   (  segid "    " and resid 84   and name HD1%)
 OR {  151}
   (( segid "    " and resid 74   and name HA2 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  151}
   (( segid "    " and resid 74   and name HA2 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  151}
   (( segid "    " and resid 74   and name HA2 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  151}
   (( segid "    " and resid 74   and name HA2 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  151}
   (( segid "    " and resid 74   and name HA2 ))
   (( segid "    " and resid 52   and name HG13))
 OR {  151}
   (( segid "    " and resid 74   and name HA2 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  151}
   (( segid "    " and resid 74   and name HA2 ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  151}
   (( segid "    " and resid 74   and name HA2 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  151}
   (( segid "    " and resid 74   and name HA2 ))
   (  segid "    " and resid 3    and name HD1%)
 OR {  151}
   (( segid "    " and resid 74   and name HA2 ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  151}
   (( segid "    " and resid 74   and name HA2 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  151}
   (( segid "    " and resid 74   and name HA2 ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  151}
   (( segid "    " and resid 74   and name HA2 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  151}
   (( segid "    " and resid 74   and name HA2 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  151}
   (( segid "    " and resid 74   and name HA2 ))
   (( segid "    " and resid 23   and name HB3 ))
 ASSI {  152}
   (( segid "    " and resid 73   and name HB3 ))
   (  segid "    " and resid 72   and name HD2%)
      2.300     0.600     0.600 peak   152 spectrum    1 weight  0.10000E+01 volume  0.12438E-02 ppm1      3.191 ppm2      0.787 CV     1
 OR {  152}
   (( segid "    " and resid 73   and name HB3 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  152}
   (( segid "    " and resid 73   and name HB3 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  152}
   (( segid "    " and resid 73   and name HB3 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  152}
   (( segid "    " and resid 73   and name HB3 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  152}
   (( segid "    " and resid 73   and name HB3 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  152}
   (( segid "    " and resid 73   and name HB3 ))
   (  segid "    " and resid 84   and name HD1%)
 OR {  152}
   (( segid "    " and resid 73   and name HB3 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  152}
   (( segid "    " and resid 73   and name HB3 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  152}
   (( segid "    " and resid 73   and name HB3 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  152}
   (( segid "    " and resid 73   and name HB3 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  152}
   (( segid "    " and resid 73   and name HB3 ))
   (( segid "    " and resid 52   and name HG13))
 OR {  152}
   (( segid "    " and resid 73   and name HB3 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  152}
   (( segid "    " and resid 73   and name HB3 ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  152}
   (( segid "    " and resid 73   and name HB3 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  152}
   (( segid "    " and resid 73   and name HB3 ))
   (  segid "    " and resid 3    and name HD1%)
 OR {  152}
   (( segid "    " and resid 73   and name HB3 ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  152}
   (( segid "    " and resid 73   and name HB3 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  152}
   (( segid "    " and resid 73   and name HB3 ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  152}
   (( segid "    " and resid 73   and name HB3 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  152}
   (( segid "    " and resid 73   and name HB3 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  152}
   (( segid "    " and resid 73   and name HB3 ))
   (( segid "    " and resid 23   and name HB3 ))
 ASSI {  153}
   (( segid "    " and resid 73   and name HB2 ))
   (  segid "    " and resid 72   and name HD1%)
      2.300     0.700     0.700 peak   153 spectrum    1 weight  0.10000E+01 volume  0.10328E-02 ppm1      3.102 ppm2      0.789 CV     1
 OR {  153}
   (( segid "    " and resid 73   and name HB2 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  153}
   (( segid "    " and resid 73   and name HB2 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  153}
   (( segid "    " and resid 73   and name HB2 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  153}
   (( segid "    " and resid 73   and name HB2 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  153}
   (( segid "    " and resid 73   and name HB2 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  153}
   (( segid "    " and resid 73   and name HB2 ))
   (  segid "    " and resid 84   and name HD1%)
 OR {  153}
   (( segid "    " and resid 73   and name HB2 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  153}
   (( segid "    " and resid 73   and name HB2 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  153}
   (( segid "    " and resid 73   and name HB2 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  153}
   (( segid "    " and resid 73   and name HB2 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  153}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 52   and name HG13))
 OR {  153}
   (( segid "    " and resid 73   and name HB2 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  153}
   (( segid "    " and resid 73   and name HB2 ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  153}
   (( segid "    " and resid 73   and name HB2 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  153}
   (( segid "    " and resid 73   and name HB2 ))
   (  segid "    " and resid 3    and name HD1%)
 OR {  153}
   (( segid "    " and resid 73   and name HB2 ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  153}
   (( segid "    " and resid 73   and name HB2 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  153}
   (( segid "    " and resid 73   and name HB2 ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  153}
   (( segid "    " and resid 73   and name HB2 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  153}
   (( segid "    " and resid 73   and name HB2 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  153}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 23   and name HB3 ))
 ASSI {  154}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 84   and name H   ))
      2.400     0.700     0.700 peak   154 spectrum    1 weight  0.10000E+01 volume  0.78013E-02 ppm1      1.503 ppm2      8.021 CV     1
 OR {  154}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 72   and name H   ))
 OR {  154}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 83   and name H   ))
 OR {  154}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 71   and name H   ))
 OR {  154}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 70   and name H   ))
 OR {  154}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 75   and name H   ))
 OR {  154}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 66   and name H   ))
 OR {  154}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 75   and name H   ))
 OR {  154}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 83   and name H   ))
 OR {  154}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 84   and name H   ))
 OR {  154}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 72   and name H   ))
 OR {  154}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 71   and name H   ))
 OR {  154}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 70   and name H   ))
 OR {  154}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 66   and name H   ))
 OR {  154}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 39   and name H   ))
 OR {  154}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 35   and name H   ))
 OR {  154}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 39   and name H   ))
 OR {  154}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 35   and name H   ))
 ASSI {  155}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name H   ))
      2.500     0.800     0.800 peak   155 spectrum    1 weight  0.10000E+01 volume  0.40700E-02 ppm1      1.381 ppm2      7.999 CV     1
 OR {  155}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 71   and name H   ))
 OR {  155}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 70   and name H   ))
 OR {  155}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 75   and name H   ))
 OR {  155}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 66   and name H   ))
 OR {  155}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 83   and name H   ))
 OR {  155}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 84   and name H   ))
 OR {  155}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 39   and name H   ))
 OR {  155}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 35   and name H   ))
 ASSI {  156}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 72   and name HD2%)
      2.500     0.800     0.800 peak   156 spectrum    1 weight  0.10000E+01 volume  0.14709E-01 ppm1      1.381 ppm2      0.761 CV     1
 OR {  156}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  156}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  156}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  156}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  156}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  156}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 84   and name HD1%)
 OR {  156}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  156}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  156}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  156}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  156}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  156}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  156}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 52   and name HG13))
 OR {  156}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  156}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  156}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  156}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  156}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  156}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  156}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 22   and name HD1%)
 ASSI {  157}
   (( segid "    " and resid 72   and name HG  ))
   (  segid "    " and resid 72   and name HD1%)
      1.800     0.400     0.400 peak   157 spectrum    1 weight  0.10000E+01 volume  0.31184E-01 ppm1      1.447 ppm2      0.748 CV     1
 OR {  157}
   (( segid "    " and resid 27   and name HG12))
   (  segid "    " and resid 27   and name HD1%)
 OR {  157}
   (( segid "    " and resid 79   and name HG  ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  157}
   (( segid "    " and resid 2    and name HG  ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  157}
   (( segid "    " and resid 72   and name HG  ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  157}
   (( segid "    " and resid 27   and name HG12))
   (  segid "    " and resid 26   and name HG2%)
 OR {  157}
   (( segid "    " and resid 27   and name HG12))
   (  segid "    " and resid 18   and name HD2%)
 OR {  157}
   (( segid "    " and resid 2    and name HG  ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  157}
   (( segid "    " and resid 27   and name HG12))
   (  segid "    " and resid 18   and name HD1%)
 OR {  157}
   (( segid "    " and resid 27   and name HG12))
   (  segid "    " and resid 29   and name HG1%)
 OR {  157}
   (( segid "    " and resid 79   and name HG  ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  157}
   (( segid "    " and resid 2    and name HG  ))
   (  segid "    " and resid 26   and name HG2%)
 OR {  157}
   (( segid "    " and resid 2    and name HG  ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  157}
   (( segid "    " and resid 79   and name HG  ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  157}
   (( segid "    " and resid 27   and name HG12))
   (  segid "    " and resid 22   and name HD1%)
 OR {  157}
   (( segid "    " and resid 2    and name HG  ))
   (  segid "    " and resid 29   and name HG1%)
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   (( segid "    " and resid 27   and name HG12))
   (  segid "    " and resid 2    and name HD1%)
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   (( segid "    " and resid 2    and name HG  ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  157}
   (( segid "    " and resid 72   and name HG  ))
   (  segid "    " and resid 76   and name HD2%)
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   (( segid "    " and resid 72   and name HG  ))
   (  segid "    " and resid 76   and name HD1%)
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   (( segid "    " and resid 2    and name HG  ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  157}
   (( segid "    " and resid 79   and name HG  ))
   (  segid "    " and resid 84   and name HD2%)
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   (( segid "    " and resid 79   and name HG  ))
   (  segid "    " and resid 84   and name HD1%)
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   (( segid "    " and resid 2    and name HG  ))
   (  segid "    " and resid 40   and name HD1%)
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   (( segid "    " and resid 2    and name HG  ))
   (  segid "    " and resid 40   and name HD2%)
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   (( segid "    " and resid 79   and name HG  ))
   (  segid "    " and resid 72   and name HD1%)
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   (( segid "    " and resid 27   and name HG12))
   (  segid "    " and resid 40   and name HD2%)
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   (( segid "    " and resid 79   and name HG  ))
   (  segid "    " and resid 72   and name HD2%)
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   (( segid "    " and resid 27   and name HG12))
   (  segid "    " and resid 40   and name HD1%)
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   (( segid "    " and resid 72   and name HG  ))
   (  segid "    " and resid 79   and name HD2%)
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   (( segid "    " and resid 27   and name HG12))
   (  segid "    " and resid 44   and name HG2%)
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   (( segid "    " and resid 2    and name HG  ))
   (  segid "    " and resid 44   and name HG2%)
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   (( segid "    " and resid 2    and name HG  ))
   (  segid "    " and resid 54   and name HD1%)
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   (( segid "    " and resid 27   and name HG12))
   (  segid "    " and resid 54   and name HD1%)
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   (( segid "    " and resid 2    and name HG  ))
   (  segid "    " and resid 47   and name HD1%)
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   (( segid "    " and resid 27   and name HG12))
   (  segid "    " and resid 47   and name HD1%)
 OR {  157}
   (( segid "    " and resid 27   and name HG12))
   (  segid "    " and resid 47   and name HD2%)
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   (( segid "    " and resid 2    and name HG  ))
   (  segid "    " and resid 47   and name HD2%)
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   (( segid "    " and resid 72   and name HG  ))
   (  segid "    " and resid 84   and name HD2%)
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   (( segid "    " and resid 72   and name HG  ))
   (  segid "    " and resid 84   and name HD1%)
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   (( segid "    " and resid 72   and name HG  ))
   (  segid "    " and resid 47   and name HD2%)
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   (( segid "    " and resid 72   and name HG  ))
   (  segid "    " and resid 47   and name HD1%)
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   (( segid "    " and resid 72   and name HG  ))
   (  segid "    " and resid 54   and name HD1%)
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   (( segid "    " and resid 72   and name HG  ))
   (  segid "    " and resid 44   and name HG2%)
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   (( segid "    " and resid 72   and name HG  ))
   (  segid "    " and resid 40   and name HD2%)
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   (( segid "    " and resid 72   and name HG  ))
   (  segid "    " and resid 40   and name HD1%)
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   (( segid "    " and resid 79   and name HG  ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  157}
   (( segid "    " and resid 79   and name HG  ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  157}
   (( segid "    " and resid 79   and name HG  ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  157}
   (( segid "    " and resid 72   and name HG  ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  157}
   (( segid "    " and resid 79   and name HG  ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  157}
   (( segid "    " and resid 72   and name HG  ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  157}
   (( segid "    " and resid 27   and name HG12))
   (  segid "    " and resid 72   and name HD2%)
 OR {  157}
   (( segid "    " and resid 72   and name HG  ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  157}
   (( segid "    " and resid 72   and name HG  ))
   (  segid "    " and resid 26   and name HG2%)
 OR {  157}
   (( segid "    " and resid 2    and name HG  ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  157}
   (( segid "    " and resid 27   and name HG12))
   (  segid "    " and resid 72   and name HD1%)
 OR {  157}
   (( segid "    " and resid 2    and name HG  ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  157}
   (( segid "    " and resid 72   and name HG  ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  157}
   (( segid "    " and resid 72   and name HG  ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  157}
   (( segid "    " and resid 79   and name HG  ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  157}
   (( segid "    " and resid 79   and name HG  ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  157}
   (( segid "    " and resid 72   and name HG  ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  157}
   (( segid "    " and resid 27   and name HG12))
   (  segid "    " and resid 76   and name HD2%)
 OR {  157}
   (( segid "    " and resid 79   and name HG  ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  157}
   (( segid "    " and resid 2    and name HG  ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  157}
   (( segid "    " and resid 27   and name HG12))
   (  segid "    " and resid 76   and name HD1%)
 OR {  157}
   (( segid "    " and resid 2    and name HG  ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  157}
   (( segid "    " and resid 79   and name HG  ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  157}
   (( segid "    " and resid 79   and name HG  ))
   (  segid "    " and resid 26   and name HG2%)
 OR {  157}
   (( segid "    " and resid 79   and name HG  ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  157}
   (( segid "    " and resid 27   and name HG12))
   (  segid "    " and resid 79   and name HD2%)
 OR {  157}
   (( segid "    " and resid 2    and name HG  ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  157}
   (( segid "    " and resid 79   and name HG  ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  157}
   (( segid "    " and resid 79   and name HG  ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  157}
   (( segid "    " and resid 79   and name HG  ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  157}
   (( segid "    " and resid 27   and name HG12))
   (  segid "    " and resid 84   and name HD2%)
 OR {  157}
   (( segid "    " and resid 27   and name HG12))
   (  segid "    " and resid 84   and name HD1%)
 OR {  157}
   (( segid "    " and resid 2    and name HG  ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  157}
   (( segid "    " and resid 2    and name HG  ))
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  162}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 74   and name HA2 ))
      3.300     1.400     1.400 peak   162 spectrum    1 weight  0.10000E+01 volume  0.30095E-02 ppm1      0.780 ppm2      4.012 CV     1
 OR {  162}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 69   and name HA  ))
 OR {  162}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 68   and name HA  ))
 OR {  162}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 66   and name HA  ))
 OR {  162}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 63   and name HA  ))
 OR {  162}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 61   and name HA  ))
 OR {  162}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 59   and name HD3 ))
 OR {  162}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 48   and name HA  ))
 OR {  162}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 36   and name HA3 ))
 OR {  162}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 22   and name HA  ))
 ASSI {  164}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 26   and name HB  ))
      3.400     1.500     1.500 peak   164 spectrum    1 weight  0.10000E+01 volume  0.16991E-02 ppm1      0.732 ppm2      2.221 CV     1
 OR {  164}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 17   and name HB2 ))
 OR {  164}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 28   and name HG3 ))
 OR {  164}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 28   and name HG2 ))
 OR {  164}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 30   and name HG2 ))
 OR {  164}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 4    and name HB3 ))
 OR {  164}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 69   and name HG3 ))
 OR {  164}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 69   and name HG2 ))
 OR {  164}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 5    and name HB2 ))
 OR {  164}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 77   and name HB3 ))
 OR {  164}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 32   and name HG2 ))
 OR {  164}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 12   and name HG3 ))
 OR {  164}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 33   and name HG2 ))
 OR {  164}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 12   and name HG2 ))
 OR {  164}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 66   and name HG3 ))
 OR {  164}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 77   and name HB3 ))
 OR {  164}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 63   and name HG2 ))
 OR {  164}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 63   and name HG3 ))
 OR {  164}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 54   and name HB  ))
 OR {  164}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 49   and name HB2 ))
 OR {  164}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 49   and name HG3 ))
 OR {  164}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 49   and name HG2 ))
 OR {  164}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 69   and name HG3 ))
 OR {  164}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 69   and name HG2 ))
 OR {  164}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 66   and name HG3 ))
 OR {  164}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 49   and name HG2 ))
 OR {  164}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 49   and name HG3 ))
 OR {  164}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 49   and name HB2 ))
 OR {  164}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 54   and name HB  ))
 OR {  164}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 63   and name HG3 ))
 OR {  164}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 63   and name HG2 ))
 OR {  164}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 63   and name HG2 ))
 OR {  164}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 63   and name HG3 ))
 OR {  164}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 66   and name HG3 ))
 OR {  164}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 12   and name HG2 ))
 OR {  164}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 12   and name HG3 ))
 OR {  164}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 33   and name HG2 ))
 OR {  164}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 32   and name HG2 ))
 OR {  164}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 5    and name HB2 ))
 OR {  164}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 69   and name HG2 ))
 OR {  164}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 69   and name HG3 ))
 OR {  164}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 30   and name HG2 ))
 OR {  164}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 4    and name HB3 ))
 OR {  164}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 28   and name HG2 ))
 OR {  164}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 28   and name HG3 ))
 OR {  164}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 17   and name HB2 ))
 OR {  164}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 26   and name HB  ))
 OR {  164}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 49   and name HG2 ))
 OR {  164}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 49   and name HG3 ))
 OR {  164}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 49   and name HB2 ))
 OR {  164}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 54   and name HB  ))
 OR {  164}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 77   and name HB3 ))
 OR {  164}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 12   and name HG2 ))
 OR {  164}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 12   and name HG3 ))
 OR {  164}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 33   and name HG2 ))
 OR {  164}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 32   and name HG2 ))
 OR {  164}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 5    and name HB2 ))
 OR {  164}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 30   and name HG2 ))
 OR {  164}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 4    and name HB3 ))
 OR {  164}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 28   and name HG2 ))
 OR {  164}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 28   and name HG3 ))
 OR {  164}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 17   and name HB2 ))
 OR {  164}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 26   and name HB  ))
 ASSI {  165}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 26   and name HB  ))
      3.400     1.500     1.500 peak   165 spectrum    1 weight  0.10000E+01 volume  0.15602E-02 ppm1      0.726 ppm2      2.159 CV     1
 OR {  165}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 17   and name HB2 ))
 OR {  165}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 77   and name HB3 ))
 OR {  165}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 28   and name HG3 ))
 OR {  165}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 30   and name HG2 ))
 OR {  165}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 30   and name HG3 ))
 OR {  165}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 30   and name HB3 ))
 OR {  165}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 69   and name HG3 ))
 OR {  165}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 69   and name HG2 ))
 OR {  165}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 5    and name HB2 ))
 OR {  165}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 77   and name HB3 ))
 OR {  165}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 32   and name HG3 ))
 OR {  165}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 33   and name HG2 ))
 OR {  165}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 66   and name HG2 ))
 OR {  165}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 77   and name HB3 ))
 OR {  165}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 69   and name HG3 ))
 OR {  165}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 69   and name HG2 ))
 OR {  165}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 54   and name HB  ))
 OR {  165}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 66   and name HG2 ))
 OR {  165}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 69   and name HG3 ))
 OR {  165}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 69   and name HG2 ))
 OR {  165}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 66   and name HG2 ))
 OR {  165}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 54   and name HB  ))
 OR {  165}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 66   and name HG2 ))
 OR {  165}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 33   and name HG2 ))
 OR {  165}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 54   and name HB  ))
 OR {  165}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 32   and name HG3 ))
 OR {  165}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 5    and name HB2 ))
 OR {  165}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 69   and name HG2 ))
 OR {  165}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 69   and name HG3 ))
 OR {  165}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 30   and name HB3 ))
 OR {  165}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 30   and name HG3 ))
 OR {  165}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 30   and name HG2 ))
 OR {  165}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 28   and name HG3 ))
 OR {  165}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 17   and name HB2 ))
 OR {  165}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 26   and name HB  ))
 OR {  165}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 54   and name HB  ))
 OR {  165}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 33   and name HG2 ))
 OR {  165}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 32   and name HG3 ))
 OR {  165}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 5    and name HB2 ))
 OR {  165}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 30   and name HB3 ))
 OR {  165}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 30   and name HG3 ))
 OR {  165}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 30   and name HG2 ))
 OR {  165}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 28   and name HG3 ))
 OR {  165}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 77   and name HB3 ))
 OR {  165}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 17   and name HB2 ))
 OR {  165}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 26   and name HB  ))
 OR {  165}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 33   and name HG2 ))
 OR {  165}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 32   and name HG3 ))
 OR {  165}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 5    and name HB2 ))
 OR {  165}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 30   and name HB3 ))
 OR {  165}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 30   and name HG3 ))
 OR {  165}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 30   and name HG2 ))
 OR {  165}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 28   and name HG3 ))
 OR {  165}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 17   and name HB2 ))
 OR {  165}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 26   and name HB  ))
 ASSI {  166}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 71   and name HE2 ))
      4.000     2.000     2.000 peak   166 spectrum    1 weight  0.10000E+01 volume  0.13215E-02 ppm1      0.738 ppm2      2.877 CV     1
 OR {  166}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 16   and name HE2 ))
 OR {  166}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 25   and name HE3 ))
 OR {  166}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 16   and name HE3 ))
 OR {  166}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 25   and name HE2 ))
 OR {  166}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 71   and name HE3 ))
 OR {  166}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 86   and name HE2 ))
 OR {  166}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 86   and name HE3 ))
 OR {  166}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 15   and name HD2 ))
 OR {  166}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 21   and name HE3 ))
 OR {  166}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 15   and name HD3 ))
 OR {  166}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 21   and name HE2 ))
 OR {  166}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 81   and name HB3 ))
 OR {  166}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 78   and name HE2 ))
 OR {  166}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 78   and name HE3 ))
 OR {  166}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 78   and name HE3 ))
 OR {  166}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 38   and name HB2 ))
 OR {  166}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 78   and name HE2 ))
 OR {  166}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 9    and name HB3 ))
 OR {  166}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 81   and name HB3 ))
 OR {  166}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 55   and name HB2 ))
 OR {  166}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 71   and name HE2 ))
 OR {  166}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 71   and name HE3 ))
 OR {  166}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 86   and name HE2 ))
 OR {  166}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 86   and name HE3 ))
 OR {  166}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 55   and name HB2 ))
 OR {  166}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 9    and name HB3 ))
 OR {  166}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 38   and name HB2 ))
 OR {  166}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 15   and name HD3 ))
 OR {  166}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 15   and name HD2 ))
 OR {  166}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 16   and name HE3 ))
 OR {  166}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 16   and name HE2 ))
 OR {  166}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 71   and name HE2 ))
 OR {  166}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 55   and name HB2 ))
 OR {  166}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 71   and name HE3 ))
 OR {  166}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 25   and name HE2 ))
 OR {  166}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 25   and name HE3 ))
 OR {  166}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 21   and name HE3 ))
 OR {  166}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 21   and name HE2 ))
 OR {  166}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 9    and name HB3 ))
 OR {  166}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 38   and name HB2 ))
 OR {  166}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 78   and name HE3 ))
 OR {  166}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 78   and name HE2 ))
 OR {  166}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 81   and name HB3 ))
 OR {  166}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 15   and name HD3 ))
 OR {  166}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 15   and name HD2 ))
 OR {  166}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 16   and name HE3 ))
 OR {  166}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 16   and name HE2 ))
 OR {  166}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 25   and name HE2 ))
 OR {  166}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 25   and name HE3 ))
 OR {  166}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 86   and name HE2 ))
 OR {  166}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 86   and name HE3 ))
 OR {  166}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 21   and name HE3 ))
 OR {  166}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 21   and name HE2 ))
 ASSI {  167}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 73   and name HB2 ))
      3.700     1.700     1.700 peak   167 spectrum    1 weight  0.10000E+01 volume  0.23543E-02 ppm1      0.735 ppm2      3.078 CV     1
 OR {  167}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 24   and name HD3 ))
 OR {  167}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 85   and name HD2 ))
 OR {  167}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 85   and name HD3 ))
 OR {  167}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 1    and name HB3 ))
 OR {  167}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 70   and name HD3 ))
 OR {  167}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 1    and name HB2 ))
 OR {  167}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 70   and name HD2 ))
 OR {  167}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 81   and name HB2 ))
 OR {  167}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 14   and name HB3 ))
 OR {  167}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 14   and name HB2 ))
 OR {  167}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 67   and name HB3 ))
 OR {  167}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 39   and name HB2 ))
 OR {  167}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 65   and name HB2 ))
 OR {  167}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 81   and name HB2 ))
 OR {  167}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 64   and name HB2 ))
 OR {  167}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 64   and name HB3 ))
 OR {  167}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 50   and name HD3 ))
 OR {  167}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 46   and name HB3 ))
 OR {  167}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 50   and name HD2 ))
 OR {  167}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 73   and name HB2 ))
 OR {  167}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 85   and name HD3 ))
 OR {  167}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 85   and name HD2 ))
 OR {  167}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 70   and name HD3 ))
 OR {  167}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 70   and name HD2 ))
 OR {  167}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 58   and name HB3 ))
 OR {  167}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 58   and name HB3 ))
 OR {  167}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 67   and name HB3 ))
 OR {  167}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 65   and name HB2 ))
 OR {  167}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 46   and name HB3 ))
 OR {  167}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 50   and name HD2 ))
 OR {  167}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 50   and name HD3 ))
 OR {  167}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 64   and name HB2 ))
 OR {  167}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 64   and name HB3 ))
 OR {  167}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 64   and name HB3 ))
 OR {  167}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 64   and name HB2 ))
 OR {  167}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 65   and name HB2 ))
 OR {  167}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 67   and name HB3 ))
 OR {  167}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 39   and name HB2 ))
 OR {  167}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 14   and name HB2 ))
 OR {  167}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 14   and name HB3 ))
 OR {  167}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 58   and name HB3 ))
 OR {  167}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 70   and name HD2 ))
 OR {  167}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 70   and name HD3 ))
 OR {  167}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 1    and name HB3 ))
 OR {  167}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 1    and name HB2 ))
 OR {  167}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 73   and name HB2 ))
 OR {  167}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 46   and name HB3 ))
 OR {  167}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 50   and name HD2 ))
 OR {  167}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 24   and name HD3 ))
 OR {  167}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 50   and name HD3 ))
 OR {  167}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 39   and name HB2 ))
 OR {  167}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 14   and name HB2 ))
 OR {  167}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 14   and name HB3 ))
 OR {  167}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 81   and name HB2 ))
 OR {  167}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 1    and name HB3 ))
 OR {  167}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 1    and name HB2 ))
 OR {  167}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 24   and name HD3 ))
 OR {  167}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 85   and name HD3 ))
 OR {  167}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 85   and name HD2 ))
 ASSI {  168}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 22   and name HA  ))
      3.500     1.600     1.600 peak   168 spectrum    1 weight  0.10000E+01 volume  0.12438E-02 ppm1      0.735 ppm2      4.043 CV     1
 OR {  168}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 69   and name HA  ))
 OR {  168}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 68   and name HA  ))
 OR {  168}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 36   and name HA3 ))
 OR {  168}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 66   and name HA  ))
 OR {  168}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 63   and name HA  ))
 OR {  168}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 48   and name HA  ))
 OR {  168}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 61   and name HA  ))
 OR {  168}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 59   and name HD3 ))
 OR {  168}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 69   and name HA  ))
 OR {  168}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 59   and name HD3 ))
 OR {  168}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 68   and name HA  ))
 OR {  168}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 66   and name HA  ))
 OR {  168}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 61   and name HA  ))
 OR {  168}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 48   and name HA  ))
 OR {  168}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 63   and name HA  ))
 OR {  168}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 63   and name HA  ))
 OR {  168}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 61   and name HA  ))
 OR {  168}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 66   and name HA  ))
 OR {  168}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 36   and name HA3 ))
 OR {  168}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 68   and name HA  ))
 OR {  168}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 59   and name HD3 ))
 OR {  168}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 69   and name HA  ))
 OR {  168}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 48   and name HA  ))
 OR {  168}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 22   and name HA  ))
 OR {  168}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 36   and name HA3 ))
 OR {  168}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 22   and name HA  ))
 ASSI {  169}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 74   and name HA3 ))
      3.400     1.400     1.400 peak   169 spectrum    1 weight  0.10000E+01 volume  0.16269E-02 ppm1      0.734 ppm2      3.972 CV     1
 OR {  169}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 74   and name HA2 ))
 OR {  169}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 22   and name HA  ))
 OR {  169}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 69   and name HA  ))
 OR {  169}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 68   and name HA  ))
 OR {  169}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 36   and name HA3 ))
 OR {  169}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 66   and name HA  ))
 OR {  169}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 74   and name HA3 ))
 OR {  169}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 74   and name HA2 ))
 OR {  169}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 62   and name HB3 ))
 OR {  169}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 62   and name HB2 ))
 OR {  169}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 48   and name HA  ))
 OR {  169}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 61   and name HA  ))
 OR {  169}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 60   and name HB3 ))
 OR {  169}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 59   and name HD3 ))
 OR {  169}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 69   and name HA  ))
 OR {  169}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 59   and name HD3 ))
 OR {  169}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 68   and name HA  ))
 OR {  169}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 60   and name HB3 ))
 OR {  169}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 66   and name HA  ))
 OR {  169}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 61   and name HA  ))
 OR {  169}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 48   and name HA  ))
 OR {  169}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 62   and name HB2 ))
 OR {  169}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 62   and name HB3 ))
 OR {  169}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 62   and name HB3 ))
 OR {  169}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 62   and name HB2 ))
 OR {  169}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 61   and name HA  ))
 OR {  169}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 66   and name HA  ))
 OR {  169}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 60   and name HB3 ))
 OR {  169}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 36   and name HA3 ))
 OR {  169}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 68   and name HA  ))
 OR {  169}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 59   and name HD3 ))
 OR {  169}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 69   and name HA  ))
 OR {  169}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 48   and name HA  ))
 OR {  169}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 74   and name HA3 ))
 OR {  169}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 74   and name HA2 ))
 OR {  169}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 22   and name HA  ))
 OR {  169}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 36   and name HA3 ))
 OR {  169}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 22   and name HA  ))
 ASSI {  170}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 65   and name HZ  ))
      2.300     0.700     0.700 peak   170 spectrum    1 weight  0.10000E+01 volume  0.11771E-02 ppm1      0.736 ppm2      6.871 CV     1
 OR {  170}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 64   and name HH2 ))
 OR {  170}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 80   and name HD22))
 OR {  170}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 63   and name HE22))
 OR {  170}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 64   and name HD1 ))
 OR {  170}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 57   and name HE22))
 OR {  170}
   (  segid "    " and resid 72   and name HD1%)
   (  segid "    " and resid 43   and name HD% )
 OR {  170}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 12   and name HE21))
 ASSI {  171}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HG2 ))
      2.200     0.600     0.600 peak   171 spectrum    1 weight  0.10000E+01 volume  0.76235E-02 ppm1      4.148 ppm2      1.307 CV     1
 OR {  171}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HG3 ))
 OR {  171}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 78   and name HG2 ))
 OR {  171}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 79   and name HB3 ))
 OR {  171}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 86   and name HG2 ))
 OR {  171}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 56   and name HG2 ))
 OR {  171}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 54   and name HG13))
 OR {  171}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 54   and name HG12))
 OR {  171}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 50   and name HG3 ))
 OR {  171}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
 OR {  171}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 52   and name HG12))
 OR {  171}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 8    and name HB% )
 OR {  171}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 40   and name HG  ))
 OR {  171}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 31   and name HB3 ))
 OR {  171}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 18   and name HB3 ))
 OR {  171}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 21   and name HG3 ))
 ASSI {  172}
   (( segid "    " and resid 1    and name HA  ))
   (  segid "    " and resid 2    and name HD2%)
      3.800     1.800     1.800 peak   172 spectrum    1 weight  0.10000E+01 volume  0.21655E-02 ppm1      4.138 ppm2      0.765 CV     1
 OR {  172}
   (( segid "    " and resid 1    and name HA  ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  172}
   (( segid "    " and resid 1    and name HA  ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  172}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  172}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  172}
   (( segid "    " and resid 70   and name HA  ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  172}
   (( segid "    " and resid 70   and name HA  ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  172}
   (( segid "    " and resid 1    and name HA  ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  172}
   (( segid "    " and resid 1    and name HA  ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  172}
   (( segid "    " and resid 1    and name HA  ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  172}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  172}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  172}
   (( segid "    " and resid 70   and name HA  ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  172}
   (( segid "    " and resid 1    and name HA  ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  172}
   (( segid "    " and resid 1    and name HA  ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  172}
   (( segid "    " and resid 70   and name HA  ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  172}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  172}
   (( segid "    " and resid 1    and name HA  ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  172}
   (( segid "    " and resid 70   and name HA  ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  172}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 52   and name HG13))
 OR {  172}
   (( segid "    " and resid 1    and name HA  ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  172}
   (( segid "    " and resid 1    and name HA  ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  172}
   (( segid "    " and resid 1    and name HA  ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  172}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  172}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 84   and name HD1%)
 OR {  172}
   (( segid "    " and resid 70   and name HA  ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  172}
   (( segid "    " and resid 70   and name HA  ))
   (  segid "    " and resid 84   and name HD1%)
 OR {  172}
   (( segid "    " and resid 70   and name HA  ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  172}
   (( segid "    " and resid 70   and name HA  ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  172}
   (( segid "    " and resid 70   and name HA  ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  172}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  172}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  172}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  172}
   (( segid "    " and resid 70   and name HA  ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  172}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  172}
   (( segid "    " and resid 70   and name HA  ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  172}
   (( segid "    " and resid 70   and name HA  ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  172}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 52   and name HG13))
 OR {  172}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  172}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  172}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 52   and name HG13))
 OR {  172}
   (( segid "    " and resid 70   and name HA  ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  172}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  172}
   (( segid "    " and resid 70   and name HA  ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  172}
   (( segid "    " and resid 70   and name HA  ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  172}
   (( segid "    " and resid 70   and name HA  ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  172}
   (( segid "    " and resid 70   and name HA  ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  172}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  172}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  172}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  172}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  172}
   (( segid "    " and resid 1    and name HA  ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  172}
   (( segid "    " and resid 70   and name HA  ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  172}
   (( segid "    " and resid 1    and name HA  ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  172}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  172}
   (( segid "    " and resid 1    and name HA  ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  172}
   (( segid "    " and resid 1    and name HA  ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  172}
   (( segid "    " and resid 1    and name HA  ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  172}
   (( segid "    " and resid 1    and name HA  ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  172}
   (( segid "    " and resid 1    and name HA  ))
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  173}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 70   and name HG2 ))
      2.300     0.700     0.700 peak   173 spectrum    1 weight  0.10000E+01 volume  0.91727E-02 ppm1      4.134 ppm2      1.552 CV     1
 OR {  173}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 70   and name HG3 ))
 OR {  173}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {  173}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 70   and name HG2 ))
 OR {  173}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {  173}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 72   and name HB3 ))
 OR {  173}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 70   and name HG3 ))
 OR {  173}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {  173}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {  173}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 72   and name HB3 ))
 OR {  173}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 76   and name HB2 ))
 OR {  173}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 76   and name HG  ))
 OR {  173}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 76   and name HB2 ))
 OR {  173}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 76   and name HG  ))
 OR {  173}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 78   and name HD2 ))
 OR {  173}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 78   and name HD3 ))
 OR {  173}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 78   and name HD2 ))
 OR {  173}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 78   and name HD3 ))
 OR {  173}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 61   and name HB3 ))
 OR {  173}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 61   and name HB3 ))
 OR {  173}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 84   and name HB2 ))
 OR {  173}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 84   and name HB3 ))
 OR {  173}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 84   and name HG  ))
 OR {  173}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 84   and name HB2 ))
 OR {  173}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 84   and name HB3 ))
 OR {  173}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 84   and name HG  ))
 OR {  173}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {  173}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 85   and name HG3 ))
 OR {  173}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 86   and name HD3 ))
 OR {  173}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {  173}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 86   and name HD2 ))
 OR {  173}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 85   and name HG3 ))
 OR {  173}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 86   and name HD3 ))
 OR {  173}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 86   and name HD2 ))
 OR {  173}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 47   and name HG  ))
 OR {  173}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 47   and name HG  ))
 OR {  173}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 45   and name HG  ))
 OR {  173}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 52   and name HB  ))
 OR {  173}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 45   and name HG  ))
 OR {  173}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 52   and name HB  ))
 OR {  173}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 13   and name HG  ))
 OR {  173}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
 OR {  173}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 13   and name HG  ))
 OR {  173}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
 OR {  173}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {  173}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 3    and name HB3 ))
 OR {  173}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {  173}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 3    and name HB2 ))
 OR {  173}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 3    and name HG  ))
 OR {  173}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {  173}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 3    and name HB3 ))
 OR {  173}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {  173}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 3    and name HB2 ))
 OR {  173}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 18   and name HB2 ))
 OR {  173}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {  173}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 3    and name HG  ))
 OR {  173}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {  173}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 18   and name HB2 ))
 OR {  173}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {  173}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {  173}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {  173}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 22   and name HB3 ))
 OR {  173}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 21   and name HD2 ))
 OR {  173}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {  173}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 22   and name HB3 ))
 OR {  173}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 21   and name HD3 ))
 OR {  173}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 21   and name HD2 ))
 OR {  173}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 21   and name HD3 ))
 ASSI {  174}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 70   and name HB2 ))
      2.000     0.500     0.500 peak   174 spectrum    1 weight  0.10000E+01 volume  0.21083E-01 ppm1      4.143 ppm2      1.709 CV     1
 OR {  174}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
 OR {  174}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HB3 ))
 OR {  174}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 70   and name HB3 ))
 OR {  174}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
 OR {  174}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 70   and name HB3 ))
 OR {  174}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 71   and name HB3 ))
 OR {  174}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 70   and name HB2 ))
 OR {  174}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 68   and name HG3 ))
 OR {  174}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 68   and name HB3 ))
 OR {  174}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 68   and name HG3 ))
 OR {  174}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 68   and name HB3 ))
 OR {  174}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 77   and name HB2 ))
 OR {  174}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 78   and name HB3 ))
 OR {  174}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 77   and name HB2 ))
 OR {  174}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 78   and name HB2 ))
 OR {  174}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 78   and name HB3 ))
 OR {  174}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 78   and name HB2 ))
 OR {  174}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 85   and name HB3 ))
 OR {  174}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 85   and name HB2 ))
 OR {  174}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 86   and name HB2 ))
 OR {  174}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 85   and name HB3 ))
 OR {  174}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 86   and name HB3 ))
 OR {  174}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 85   and name HB2 ))
 OR {  174}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 56   and name HG3 ))
 OR {  174}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 86   and name HB2 ))
 OR {  174}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 86   and name HB3 ))
 OR {  174}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 56   and name HG3 ))
 OR {  174}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {  174}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {  174}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 33   and name HB3 ))
 OR {  174}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 33   and name HB3 ))
 OR {  174}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 29   and name HB  ))
 OR {  174}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
 OR {  174}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 29   and name HB  ))
 OR {  174}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
 OR {  174}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 17   and name HB3 ))
 OR {  174}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 18   and name HG  ))
 OR {  174}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 17   and name HB3 ))
 OR {  174}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 25   and name HD3 ))
 OR {  174}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 24   and name HB3 ))
 OR {  174}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 18   and name HG  ))
 OR {  174}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 25   and name HD3 ))
 OR {  174}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 24   and name HG2 ))
 OR {  174}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 24   and name HG3 ))
 OR {  174}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 24   and name HB3 ))
 OR {  174}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 24   and name HG2 ))
 OR {  174}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 24   and name HG3 ))
 OR {  174}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 21   and name HB3 ))
 OR {  174}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 21   and name HB2 ))
 OR {  174}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 21   and name HB3 ))
 OR {  174}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 21   and name HB2 ))
 ASSI {  175}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 71   and name H   ))
      2.100     0.500     0.500 peak   175 spectrum    1 weight  0.10000E+01 volume  0.16280E-01 ppm1      4.140 ppm2      7.997 CV     1
 OR {  175}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 72   and name H   ))
 OR {  175}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 70   and name H   ))
 OR {  175}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name H   ))
 OR {  175}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 70   and name H   ))
 OR {  175}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 72   and name H   ))
 OR {  175}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 75   and name H   ))
 OR {  175}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 66   and name H   ))
 OR {  175}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 75   and name H   ))
 OR {  175}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 66   and name H   ))
 OR {  175}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 83   and name H   ))
 OR {  175}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 84   and name H   ))
 OR {  175}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 83   and name H   ))
 OR {  175}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 84   and name H   ))
 OR {  175}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 39   and name H   ))
 OR {  175}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 39   and name H   ))
 OR {  175}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 35   and name H   ))
 OR {  175}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 35   and name H   ))
 ASSI {  176}
   (( segid "    " and resid 71   and name HE2 ))
   (( segid "    " and resid 74   and name HA2 ))
      3.400     1.400     1.400 peak   176 spectrum    1 weight  0.10000E+01 volume  0.19378E-02 ppm1      2.881 ppm2      4.005 CV     1
 OR {  176}
   (( segid "    " and resid 71   and name HE3 ))
   (( segid "    " and resid 74   and name HA2 ))
 OR {  176}
   (( segid "    " and resid 71   and name HE2 ))
   (( segid "    " and resid 69   and name HA  ))
 OR {  176}
   (( segid "    " and resid 71   and name HE3 ))
   (( segid "    " and resid 69   and name HA  ))
 OR {  176}
   (( segid "    " and resid 71   and name HE2 ))
   (( segid "    " and resid 68   and name HA  ))
 OR {  176}
   (( segid "    " and resid 71   and name HE3 ))
   (( segid "    " and resid 68   and name HA  ))
 OR {  176}
   (( segid "    " and resid 71   and name HE2 ))
   (( segid "    " and resid 66   and name HA  ))
 OR {  176}
   (( segid "    " and resid 71   and name HE3 ))
   (( segid "    " and resid 66   and name HA  ))
 OR {  176}
   (( segid "    " and resid 71   and name HE2 ))
   (( segid "    " and resid 61   and name HA  ))
 OR {  176}
   (( segid "    " and resid 71   and name HE3 ))
   (( segid "    " and resid 61   and name HA  ))
 OR {  176}
   (( segid "    " and resid 71   and name HE2 ))
   (( segid "    " and resid 59   and name HD3 ))
 OR {  176}
   (( segid "    " and resid 71   and name HE3 ))
   (( segid "    " and resid 59   and name HD3 ))
 OR {  176}
   (( segid "    " and resid 71   and name HE2 ))
   (( segid "    " and resid 48   and name HA  ))
 OR {  176}
   (( segid "    " and resid 71   and name HE3 ))
   (( segid "    " and resid 48   and name HA  ))
 OR {  176}
   (( segid "    " and resid 71   and name HE2 ))
   (( segid "    " and resid 36   and name HA3 ))
 OR {  176}
   (( segid "    " and resid 71   and name HE3 ))
   (( segid "    " and resid 36   and name HA3 ))
 OR {  176}
   (( segid "    " and resid 71   and name HE2 ))
   (( segid "    " and resid 22   and name HA  ))
 OR {  176}
   (( segid "    " and resid 71   and name HE3 ))
   (( segid "    " and resid 22   and name HA  ))
 ASSI {  177}
   (( segid "    " and resid 71   and name HE2 ))
   (( segid "    " and resid 72   and name HA  ))
      3.900     1.900     1.900 peak   177 spectrum    1 weight  0.10000E+01 volume  0.19600E-02 ppm1      2.882 ppm2      4.172 CV     1
 OR {  177}
   (( segid "    " and resid 71   and name HE2 ))
   (( segid "    " and resid 71   and name HA  ))
 OR {  177}
   (( segid "    " and resid 71   and name HE3 ))
   (( segid "    " and resid 71   and name HA  ))
 OR {  177}
   (( segid "    " and resid 71   and name HE3 ))
   (( segid "    " and resid 72   and name HA  ))
 OR {  177}
   (( segid "    " and resid 71   and name HE2 ))
   (( segid "    " and resid 70   and name HA  ))
 OR {  177}
   (( segid "    " and resid 71   and name HE3 ))
   (( segid "    " and resid 70   and name HA  ))
 OR {  177}
   (( segid "    " and resid 71   and name HE2 ))
   (( segid "    " and resid 75   and name HB  ))
 OR {  177}
   (( segid "    " and resid 71   and name HE3 ))
   (( segid "    " and resid 75   and name HB  ))
 OR {  177}
   (( segid "    " and resid 71   and name HE2 ))
   (( segid "    " and resid 78   and name HA  ))
 OR {  177}
   (( segid "    " and resid 71   and name HE3 ))
   (( segid "    " and resid 78   and name HA  ))
 OR {  177}
   (( segid "    " and resid 71   and name HE2 ))
   (( segid "    " and resid 65   and name HA  ))
 OR {  177}
   (( segid "    " and resid 71   and name HE3 ))
   (( segid "    " and resid 65   and name HA  ))
 OR {  177}
   (( segid "    " and resid 71   and name HE2 ))
   (( segid "    " and resid 62   and name HA  ))
 OR {  177}
   (( segid "    " and resid 71   and name HE3 ))
   (( segid "    " and resid 62   and name HA  ))
 OR {  177}
   (( segid "    " and resid 71   and name HE2 ))
   (( segid "    " and resid 86   and name HA  ))
 OR {  177}
   (( segid "    " and resid 71   and name HE3 ))
   (( segid "    " and resid 86   and name HA  ))
 OR {  177}
   (( segid "    " and resid 71   and name HE3 ))
   (( segid "    " and resid 11   and name HB  ))
 OR {  177}
   (( segid "    " and resid 71   and name HE2 ))
   (( segid "    " and resid 11   and name HB  ))
 OR {  177}
   (( segid "    " and resid 71   and name HE2 ))
   (( segid "    " and resid 7    and name HB  ))
 OR {  177}
   (( segid "    " and resid 71   and name HE3 ))
   (( segid "    " and resid 7    and name HB  ))
 OR {  177}
   (( segid "    " and resid 71   and name HE2 ))
   (( segid "    " and resid 37   and name HA  ))
 OR {  177}
   (( segid "    " and resid 71   and name HE3 ))
   (( segid "    " and resid 37   and name HA  ))
 OR {  177}
   (( segid "    " and resid 71   and name HE2 ))
   (( segid "    " and resid 1    and name HA  ))
 OR {  177}
   (( segid "    " and resid 71   and name HE3 ))
   (( segid "    " and resid 1    and name HA  ))
 OR {  177}
   (( segid "    " and resid 71   and name HE2 ))
   (( segid "    " and resid 19   and name HB2 ))
 OR {  177}
   (( segid "    " and resid 71   and name HE3 ))
   (( segid "    " and resid 19   and name HB2 ))
 OR {  177}
   (( segid "    " and resid 71   and name HE2 ))
   (( segid "    " and resid 24   and name HA  ))
 OR {  177}
   (( segid "    " and resid 71   and name HE3 ))
   (( segid "    " and resid 24   and name HA  ))
 OR {  177}
   (( segid "    " and resid 71   and name HE2 ))
   (( segid "    " and resid 20   and name HA  ))
 OR {  177}
   (( segid "    " and resid 71   and name HE3 ))
   (( segid "    " and resid 20   and name HA  ))
 ASSI {  178}
   (( segid "    " and resid 71   and name HE2 ))
   (( segid "    " and resid 72   and name HA  ))
      3.800     1.900     1.900 peak   178 spectrum    1 weight  0.10000E+01 volume  0.20378E-02 ppm1      2.881 ppm2      4.137 CV     1
 OR {  178}
   (( segid "    " and resid 71   and name HE2 ))
   (( segid "    " and resid 71   and name HA  ))
 OR {  178}
   (( segid "    " and resid 71   and name HE3 ))
   (( segid "    " and resid 71   and name HA  ))
 OR {  178}
   (( segid "    " and resid 71   and name HE3 ))
   (( segid "    " and resid 72   and name HA  ))
 OR {  178}
   (( segid "    " and resid 71   and name HE2 ))
   (( segid "    " and resid 70   and name HA  ))
 OR {  178}
   (( segid "    " and resid 71   and name HE3 ))
   (( segid "    " and resid 70   and name HA  ))
 OR {  178}
   (( segid "    " and resid 71   and name HE2 ))
   (( segid "    " and resid 75   and name HB  ))
 OR {  178}
   (( segid "    " and resid 71   and name HE3 ))
   (( segid "    " and resid 75   and name HB  ))
 OR {  178}
   (( segid "    " and resid 71   and name HE2 ))
   (( segid "    " and resid 78   and name HA  ))
 OR {  178}
   (( segid "    " and resid 71   and name HE3 ))
   (( segid "    " and resid 78   and name HA  ))
 OR {  178}
   (( segid "    " and resid 71   and name HE2 ))
   (( segid "    " and resid 65   and name HA  ))
 OR {  178}
   (( segid "    " and resid 71   and name HE3 ))
   (( segid "    " and resid 65   and name HA  ))
 OR {  178}
   (( segid "    " and resid 71   and name HE2 ))
   (( segid "    " and resid 63   and name HA  ))
 OR {  178}
   (( segid "    " and resid 71   and name HE3 ))
   (( segid "    " and resid 63   and name HA  ))
 OR {  178}
   (( segid "    " and resid 71   and name HE2 ))
   (( segid "    " and resid 62   and name HA  ))
 OR {  178}
   (( segid "    " and resid 71   and name HE3 ))
   (( segid "    " and resid 62   and name HA  ))
 OR {  178}
   (( segid "    " and resid 71   and name HE2 ))
   (( segid "    " and resid 7    and name HB  ))
 OR {  178}
   (( segid "    " and resid 71   and name HE3 ))
   (( segid "    " and resid 7    and name HB  ))
 OR {  178}
   (( segid "    " and resid 71   and name HE2 ))
   (( segid "    " and resid 1    and name HA  ))
 OR {  178}
   (( segid "    " and resid 71   and name HE3 ))
   (( segid "    " and resid 1    and name HA  ))
 OR {  178}
   (( segid "    " and resid 71   and name HE2 ))
   (( segid "    " and resid 19   and name HB2 ))
 OR {  178}
   (( segid "    " and resid 71   and name HE3 ))
   (( segid "    " and resid 19   and name HB2 ))
 OR {  178}
   (( segid "    " and resid 71   and name HE2 ))
   (( segid "    " and resid 24   and name HA  ))
 OR {  178}
   (( segid "    " and resid 71   and name HE3 ))
   (( segid "    " and resid 24   and name HA  ))
 OR {  178}
   (( segid "    " and resid 71   and name HE2 ))
   (( segid "    " and resid 20   and name HA  ))
 OR {  178}
   (( segid "    " and resid 71   and name HE3 ))
   (( segid "    " and resid 20   and name HA  ))
 ASSI {  179}
   (( segid "    " and resid 71   and name HE2 ))
   (( segid "    " and resid 64   and name HZ3 ))
      2.100     0.600     0.600 peak   179 spectrum    1 weight  0.10000E+01 volume  0.17379E-02 ppm1      2.890 ppm2      6.679 CV     1
 OR {  179}
   (( segid "    " and resid 71   and name HE3 ))
   (( segid "    " and resid 64   and name HZ3 ))
 OR {  179}
   (( segid "    " and resid 71   and name HE2 ))
   (  segid "    " and resid 14   and name HE% )
 OR {  179}
   (( segid "    " and resid 71   and name HE3 ))
   (  segid "    " and resid 14   and name HE% )
 OR {  179}
   (( segid "    " and resid 71   and name HE2 ))
   (( segid "    " and resid 28   and name HE22))
 OR {  179}
   (( segid "    " and resid 71   and name HE3 ))
   (( segid "    " and resid 28   and name HE22))
 ASSI {  181}
   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 72   and name HA  ))
      2.800     1.000     1.000 peak   181 spectrum    1 weight  0.10000E+01 volume  0.55857E-02 ppm1      1.574 ppm2      4.153 CV     1
 OR {  181}
   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 71   and name HA  ))
 OR {  181}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 71   and name HA  ))
 OR {  181}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 72   and name HA  ))
 OR {  181}
   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 70   and name HA  ))
 OR {  181}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 70   and name HA  ))
 OR {  181}
   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 75   and name HB  ))
 OR {  181}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 75   and name HB  ))
 OR {  181}
   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 78   and name HA  ))
 OR {  181}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 78   and name HA  ))
 OR {  181}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 65   and name HA  ))
 OR {  181}
   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 65   and name HA  ))
 OR {  181}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 62   and name HA  ))
 OR {  181}
   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 62   and name HA  ))
 OR {  181}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 7    and name HB  ))
 OR {  181}
   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 7    and name HB  ))
 OR {  181}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 37   and name HA  ))
 OR {  181}
   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 37   and name HA  ))
 OR {  181}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 1    and name HA  ))
 OR {  181}
   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 1    and name HA  ))
 OR {  181}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 19   and name HB2 ))
 OR {  181}
   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 19   and name HB2 ))
 OR {  181}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 24   and name HA  ))
 OR {  181}
   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 24   and name HA  ))
 OR {  181}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 20   and name HA  ))
 OR {  181}
   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 20   and name HA  ))
 ASSI {  183}
   (( segid "    " and resid 16   and name HD2 ))
   (  segid "    " and resid 14   and name HE% )
      4.100     2.100     1.900 peak   183 spectrum    1 weight  0.10000E+01 volume  0.11938E-02 ppm1      1.578 ppm2      6.672 CV     1
 OR {  183}
   (( segid "    " and resid 16   and name HD3 ))
   (  segid "    " and resid 14   and name HE% )
 OR {  183}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 28   and name HE22))
 OR {  183}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 28   and name HE22))
 OR {  183}
   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 28   and name HE22))
 OR {  183}
   (( segid "    " and resid 25   and name HD2 ))
   (  segid "    " and resid 14   and name HE% )
 OR {  183}
   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 28   and name HE22))
 OR {  183}
   (( segid "    " and resid 21   and name HD3 ))
   (( segid "    " and resid 28   and name HE22))
 OR {  183}
   (( segid "    " and resid 21   and name HD2 ))
   (  segid "    " and resid 14   and name HE% )
 OR {  183}
   (( segid "    " and resid 21   and name HD3 ))
   (  segid "    " and resid 14   and name HE% )
 OR {  183}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 64   and name HZ3 ))
 OR {  183}
   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 64   and name HZ3 ))
 OR {  183}
   (( segid "    " and resid 47   and name HG  ))
   (  segid "    " and resid 14   and name HE% )
 OR {  183}
   (( segid "    " and resid 47   and name HG  ))
   (( segid "    " and resid 28   and name HE22))
 OR {  183}
   (( segid "    " and resid 47   and name HG  ))
   (( segid "    " and resid 64   and name HZ3 ))
 OR {  183}
   (( segid "    " and resid 78   and name HD2 ))
   (( segid "    " and resid 64   and name HZ3 ))
 OR {  183}
   (( segid "    " and resid 78   and name HD3 ))
   (( segid "    " and resid 64   and name HZ3 ))
 OR {  183}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 64   and name HZ3 ))
 OR {  183}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 64   and name HZ3 ))
 OR {  183}
   (( segid "    " and resid 86   and name HD3 ))
   (( segid "    " and resid 64   and name HZ3 ))
 OR {  183}
   (( segid "    " and resid 86   and name HD2 ))
   (( segid "    " and resid 64   and name HZ3 ))
 OR {  183}
   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 64   and name HZ3 ))
 OR {  183}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 14   and name HE% )
 OR {  183}
   (( segid "    " and resid 71   and name HD3 ))
   (  segid "    " and resid 14   and name HE% )
 OR {  183}
   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 64   and name HZ3 ))
 OR {  183}
   (( segid "    " and resid 21   and name HD3 ))
   (( segid "    " and resid 64   and name HZ3 ))
 OR {  183}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 28   and name HE22))
 OR {  183}
   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 28   and name HE22))
 OR {  183}
   (( segid "    " and resid 78   and name HD2 ))
   (  segid "    " and resid 14   and name HE% )
 OR {  183}
   (( segid "    " and resid 78   and name HD3 ))
   (  segid "    " and resid 14   and name HE% )
 OR {  183}
   (( segid "    " and resid 78   and name HD2 ))
   (( segid "    " and resid 28   and name HE22))
 OR {  183}
   (( segid "    " and resid 78   and name HD3 ))
   (( segid "    " and resid 28   and name HE22))
 OR {  183}
   (( segid "    " and resid 86   and name HD3 ))
   (  segid "    " and resid 14   and name HE% )
 OR {  183}
   (( segid "    " and resid 86   and name HD2 ))
   (  segid "    " and resid 14   and name HE% )
 OR {  183}
   (( segid "    " and resid 86   and name HD3 ))
   (( segid "    " and resid 28   and name HE22))
 OR {  183}
   (( segid "    " and resid 86   and name HD2 ))
   (( segid "    " and resid 28   and name HE22))
 ASSI {  184}
   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 25   and name H   ))
      3.500     1.500     1.500 peak   184 spectrum    1 weight  0.10000E+01 volume  0.21543E-02 ppm1      1.595 ppm2      7.649 CV     1
 OR {  184}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 25   and name H   ))
 OR {  184}
   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 25   and name H   ))
 OR {  184}
   (( segid "    " and resid 21   and name HD3 ))
   (( segid "    " and resid 25   and name H   ))
 OR {  184}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 41   and name HE21))
 OR {  184}
   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 41   and name HE21))
 OR {  184}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 62   and name H   ))
 OR {  184}
   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 62   and name H   ))
 OR {  184}
   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 41   and name HE21))
 OR {  184}
   (( segid "    " and resid 21   and name HD3 ))
   (( segid "    " and resid 41   and name HE21))
 OR {  184}
   (( segid "    " and resid 78   and name HD2 ))
   (( segid "    " and resid 62   and name H   ))
 OR {  184}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 62   and name H   ))
 OR {  184}
   (( segid "    " and resid 78   and name HD3 ))
   (( segid "    " and resid 62   and name H   ))
 OR {  184}
   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 62   and name H   ))
 OR {  184}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 41   and name HE21))
 OR {  184}
   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 41   and name HE21))
 OR {  184}
   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 62   and name H   ))
 OR {  184}
   (( segid "    " and resid 21   and name HD3 ))
   (( segid "    " and resid 62   and name H   ))
 OR {  184}
   (( segid "    " and resid 86   and name HD3 ))
   (( segid "    " and resid 62   and name H   ))
 OR {  184}
   (( segid "    " and resid 86   and name HD2 ))
   (( segid "    " and resid 62   and name H   ))
 OR {  184}
   (( segid "    " and resid 78   and name HD2 ))
   (( segid "    " and resid 41   and name HE21))
 OR {  184}
   (( segid "    " and resid 78   and name HD3 ))
   (( segid "    " and resid 41   and name HE21))
 OR {  184}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 25   and name H   ))
 OR {  184}
   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 25   and name H   ))
 OR {  184}
   (( segid "    " and resid 86   and name HD3 ))
   (( segid "    " and resid 41   and name HE21))
 OR {  184}
   (( segid "    " and resid 86   and name HD2 ))
   (( segid "    " and resid 41   and name HE21))
 OR {  184}
   (( segid "    " and resid 78   and name HD2 ))
   (( segid "    " and resid 25   and name H   ))
 OR {  184}
   (( segid "    " and resid 78   and name HD3 ))
   (( segid "    " and resid 25   and name H   ))
 OR {  184}
   (( segid "    " and resid 86   and name HD3 ))
   (( segid "    " and resid 25   and name H   ))
 OR {  184}
   (( segid "    " and resid 86   and name HD2 ))
   (( segid "    " and resid 25   and name H   ))
 ASSI {  185}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 72   and name HD2%)
      3.700     1.700     1.700 peak   185 spectrum    1 weight  0.10000E+01 volume  0.42143E-02 ppm1      1.270 ppm2      0.763 CV     1
 OR {  185}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  185}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  185}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  185}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  185}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  185}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 84   and name HD1%)
 OR {  185}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  185}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  185}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  185}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  185}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  185}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  185}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 52   and name HG13))
 OR {  185}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  185}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  185}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  185}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  185}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  185}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  185}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 22   and name HD1%)
 ASSI {  186}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 72   and name H   ))
      2.300     0.700     0.700 peak   186 spectrum    1 weight  0.10000E+01 volume  0.30871E-02 ppm1      1.280 ppm2      7.990 CV     1
 OR {  186}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 71   and name H   ))
 OR {  186}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 70   and name H   ))
 OR {  186}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 75   and name H   ))
 OR {  186}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 67   and name H   ))
 OR {  186}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 66   and name H   ))
 OR {  186}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 83   and name H   ))
 OR {  186}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 84   and name H   ))
 OR {  186}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 88   and name H   ))
 OR {  186}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 39   and name H   ))
 OR {  186}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 35   and name H   ))
 ASSI {  187}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 1    and name HB3 ))
      2.200     0.600     0.600 peak   187 spectrum    1 weight  0.10000E+01 volume  0.89228E-02 ppm1      4.118 ppm2      3.077 CV     1
 OR {  187}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 1    and name HB2 ))
 OR {  187}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 24   and name HD3 ))
 OR {  187}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 14   and name HB3 ))
 OR {  187}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
 OR {  187}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 39   and name HB2 ))
 OR {  187}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 50   and name HD3 ))
 OR {  187}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 46   and name HB3 ))
 OR {  187}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 50   and name HD2 ))
 OR {  187}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 58   and name HB3 ))
 OR {  187}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 64   and name HB3 ))
 OR {  187}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 64   and name HB2 ))
 OR {  187}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 65   and name HB2 ))
 OR {  187}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 67   and name HB3 ))
 OR {  187}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 70   and name HD2 ))
 OR {  187}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 70   and name HD3 ))
 OR {  187}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 73   and name HB2 ))
 OR {  187}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 81   and name HB2 ))
 OR {  187}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 85   and name HD3 ))
 OR {  187}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 85   and name HD2 ))
 ASSI {  188}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 69   and name HG2 ))
      3.300     1.400     1.400 peak   188 spectrum    1 weight  0.10000E+01 volume  0.88840E-03 ppm1      4.135 ppm2      2.135 CV     1
 OR {  188}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
 OR {  188}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 26   and name HB  ))
 OR {  188}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 69   and name HG2 ))
 OR {  188}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 28   and name HG3 ))
 OR {  188}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 5    and name HB2 ))
 OR {  188}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 30   and name HG3 ))
 OR {  188}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 30   and name HB3 ))
 OR {  188}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 66   and name HG2 ))
 OR {  188}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 66   and name HG2 ))
 OR {  188}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 32   and name HG3 ))
 OR {  188}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 77   and name HB3 ))
 OR {  188}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 33   and name HG3 ))
 OR {  188}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 77   and name HB3 ))
 OR {  188}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 59   and name HG3 ))
 OR {  188}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 59   and name HG3 ))
 OR {  188}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 87   and name HB2 ))
 OR {  188}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 59   and name HG3 ))
 OR {  188}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 87   and name HB2 ))
 OR {  188}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 33   and name HG3 ))
 OR {  188}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 33   and name HG3 ))
 OR {  188}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 66   and name HG2 ))
 OR {  188}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 32   and name HG3 ))
 OR {  188}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 5    and name HB2 ))
 OR {  188}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 32   and name HG3 ))
 OR {  188}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 30   and name HB3 ))
 OR {  188}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 30   and name HG3 ))
 OR {  188}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 5    and name HB2 ))
 OR {  188}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 28   and name HG3 ))
 OR {  188}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 30   and name HB3 ))
 OR {  188}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 30   and name HG3 ))
 OR {  188}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 69   and name HG2 ))
 OR {  188}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 28   and name HG3 ))
 OR {  188}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
 OR {  188}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 26   and name HB  ))
 OR {  188}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
 OR {  188}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 26   and name HB  ))
 OR {  188}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 77   and name HB3 ))
 OR {  188}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 87   and name HB2 ))
 ASSI {  189}
   (( segid "    " and resid 50   and name HD3 ))
   (  segid "    " and resid 52   and name HG2%)
      3.000     1.100     1.100 peak   189 spectrum    1 weight  0.10000E+01 volume  0.37979E-02 ppm1      3.070 ppm2      0.706 CV     1
 OR {  189}
   (( segid "    " and resid 50   and name HD3 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  189}
   (( segid "    " and resid 50   and name HD3 ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  189}
   (( segid "    " and resid 50   and name HD3 ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  189}
   (( segid "    " and resid 50   and name HD3 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  189}
   (( segid "    " and resid 50   and name HD3 ))
   (  segid "    " and resid 31   and name HD1%)
 OR {  189}
   (( segid "    " and resid 50   and name HD3 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  189}
   (( segid "    " and resid 50   and name HD3 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  189}
   (( segid "    " and resid 50   and name HD3 ))
   (  segid "    " and resid 26   and name HG2%)
 OR {  189}
   (( segid "    " and resid 50   and name HD3 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  189}
   (( segid "    " and resid 50   and name HD3 ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  189}
   (( segid "    " and resid 50   and name HD3 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  189}
   (( segid "    " and resid 50   and name HD3 ))
   (  segid "    " and resid 22   and name HD2%)
 OR {  189}
   (( segid "    " and resid 50   and name HD3 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  189}
   (( segid "    " and resid 50   and name HD3 ))
   (  segid "    " and resid 79   and name HD1%)
 OR {  189}
   (( segid "    " and resid 50   and name HD3 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  189}
   (( segid "    " and resid 50   and name HD3 ))
   (  segid "    " and resid 84   and name HD2%)
 ASSI {  192}
   (( segid "    " and resid 70   and name HD3 ))
   (( segid "    " and resid 71   and name HA  ))
      2.900     1.000     1.000 peak   192 spectrum    1 weight  0.10000E+01 volume  0.51416E-02 ppm1      3.067 ppm2      4.127 CV     1
 OR {  192}
   (( segid "    " and resid 70   and name HD3 ))
   (( segid "    " and resid 70   and name HA  ))
 OR {  192}
   (( segid "    " and resid 24   and name HD3 ))
   (( segid "    " and resid 24   and name HA  ))
 OR {  192}
   (( segid "    " and resid 70   and name HD2 ))
   (( segid "    " and resid 71   and name HA  ))
 OR {  192}
   (( segid "    " and resid 70   and name HD2 ))
   (( segid "    " and resid 70   and name HA  ))
 OR {  192}
   (( segid "    " and resid 24   and name HD3 ))
   (( segid "    " and resid 19   and name HB2 ))
 OR {  192}
   (( segid "    " and resid 24   and name HD3 ))
   (( segid "    " and resid 20   and name HA  ))
 OR {  192}
   (( segid "    " and resid 24   and name HD3 ))
   (( segid "    " and resid 1    and name HA  ))
 OR {  192}
   (( segid "    " and resid 70   and name HD3 ))
   (( segid "    " and resid 75   and name HB  ))
 OR {  192}
   (( segid "    " and resid 70   and name HD2 ))
   (( segid "    " and resid 75   and name HB  ))
 OR {  192}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 7    and name HB  ))
 OR {  192}
   (( segid "    " and resid 70   and name HD2 ))
   (( segid "    " and resid 65   and name HA  ))
 OR {  192}
   (( segid "    " and resid 70   and name HD3 ))
   (( segid "    " and resid 65   and name HA  ))
 OR {  192}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 7    and name HB  ))
 OR {  192}
   (( segid "    " and resid 24   and name HD3 ))
   (( segid "    " and resid 7    and name HB  ))
 OR {  192}
   (( segid "    " and resid 70   and name HD2 ))
   (( segid "    " and resid 63   and name HA  ))
 OR {  192}
   (( segid "    " and resid 70   and name HD3 ))
   (( segid "    " and resid 63   and name HA  ))
 OR {  192}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 62   and name HA  ))
 OR {  192}
   (( segid "    " and resid 70   and name HD2 ))
   (( segid "    " and resid 62   and name HA  ))
 OR {  192}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 62   and name HA  ))
 OR {  192}
   (( segid "    " and resid 70   and name HD3 ))
   (( segid "    " and resid 62   and name HA  ))
 OR {  192}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 63   and name HA  ))
 OR {  192}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 63   and name HA  ))
 OR {  192}
   (( segid "    " and resid 85   and name HD3 ))
   (( segid "    " and resid 75   and name HB  ))
 OR {  192}
   (( segid "    " and resid 85   and name HD2 ))
   (( segid "    " and resid 75   and name HB  ))
 OR {  192}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 1    and name HA  ))
 OR {  192}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 19   and name HB2 ))
 OR {  192}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 1    and name HA  ))
 OR {  192}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 19   and name HB2 ))
 OR {  192}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 24   and name HA  ))
 OR {  192}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 65   and name HA  ))
 OR {  192}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 20   and name HA  ))
 OR {  192}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 65   and name HA  ))
 OR {  192}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 24   and name HA  ))
 OR {  192}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 20   and name HA  ))
 OR {  192}
   (( segid "    " and resid 85   and name HD3 ))
   (( segid "    " and resid 71   and name HA  ))
 OR {  192}
   (( segid "    " and resid 85   and name HD2 ))
   (( segid "    " and resid 71   and name HA  ))
 OR {  192}
   (( segid "    " and resid 85   and name HD3 ))
   (( segid "    " and resid 70   and name HA  ))
 OR {  192}
   (( segid "    " and resid 85   and name HD2 ))
   (( segid "    " and resid 70   and name HA  ))
 OR {  192}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 70   and name HA  ))
 OR {  192}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 70   and name HA  ))
 OR {  192}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 71   and name HA  ))
 OR {  192}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 71   and name HA  ))
 OR {  192}
   (( segid "    " and resid 24   and name HD3 ))
   (( segid "    " and resid 62   and name HA  ))
 OR {  192}
   (( segid "    " and resid 85   and name HD3 ))
   (( segid "    " and resid 65   and name HA  ))
 OR {  192}
   (( segid "    " and resid 85   and name HD2 ))
   (( segid "    " and resid 65   and name HA  ))
 OR {  192}
   (( segid "    " and resid 24   and name HD3 ))
   (( segid "    " and resid 63   and name HA  ))
 OR {  192}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 75   and name HB  ))
 OR {  192}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 75   and name HB  ))
 OR {  192}
   (( segid "    " and resid 85   and name HD3 ))
   (( segid "    " and resid 63   and name HA  ))
 OR {  192}
   (( segid "    " and resid 85   and name HD2 ))
   (( segid "    " and resid 63   and name HA  ))
 OR {  192}
   (( segid "    " and resid 70   and name HD2 ))
   (( segid "    " and resid 7    and name HB  ))
 OR {  192}
   (( segid "    " and resid 70   and name HD3 ))
   (( segid "    " and resid 7    and name HB  ))
 OR {  192}
   (( segid "    " and resid 24   and name HD3 ))
   (( segid "    " and resid 65   and name HA  ))
 OR {  192}
   (( segid "    " and resid 85   and name HD3 ))
   (( segid "    " and resid 62   and name HA  ))
 OR {  192}
   (( segid "    " and resid 85   and name HD2 ))
   (( segid "    " and resid 62   and name HA  ))
 OR {  192}
   (( segid "    " and resid 70   and name HD2 ))
   (( segid "    " and resid 1    and name HA  ))
 OR {  192}
   (( segid "    " and resid 70   and name HD3 ))
   (( segid "    " and resid 1    and name HA  ))
 OR {  192}
   (( segid "    " and resid 70   and name HD2 ))
   (( segid "    " and resid 19   and name HB2 ))
 OR {  192}
   (( segid "    " and resid 24   and name HD3 ))
   (( segid "    " and resid 70   and name HA  ))
 OR {  192}
   (( segid "    " and resid 70   and name HD3 ))
   (( segid "    " and resid 19   and name HB2 ))
 OR {  192}
   (( segid "    " and resid 70   and name HD2 ))
   (( segid "    " and resid 24   and name HA  ))
 OR {  192}
   (( segid "    " and resid 70   and name HD3 ))
   (( segid "    " and resid 24   and name HA  ))
 OR {  192}
   (( segid "    " and resid 24   and name HD3 ))
   (( segid "    " and resid 71   and name HA  ))
 OR {  192}
   (( segid "    " and resid 70   and name HD2 ))
   (( segid "    " and resid 20   and name HA  ))
 OR {  192}
   (( segid "    " and resid 70   and name HD3 ))
   (( segid "    " and resid 20   and name HA  ))
 OR {  192}
   (( segid "    " and resid 24   and name HD3 ))
   (( segid "    " and resid 75   and name HB  ))
 OR {  192}
   (( segid "    " and resid 85   and name HD3 ))
   (( segid "    " and resid 7    and name HB  ))
 OR {  192}
   (( segid "    " and resid 85   and name HD2 ))
   (( segid "    " and resid 7    and name HB  ))
 OR {  192}
   (( segid "    " and resid 85   and name HD3 ))
   (( segid "    " and resid 1    and name HA  ))
 OR {  192}
   (( segid "    " and resid 85   and name HD2 ))
   (( segid "    " and resid 1    and name HA  ))
 OR {  192}
   (( segid "    " and resid 85   and name HD3 ))
   (( segid "    " and resid 19   and name HB2 ))
 OR {  192}
   (( segid "    " and resid 85   and name HD2 ))
   (( segid "    " and resid 19   and name HB2 ))
 OR {  192}
   (( segid "    " and resid 85   and name HD3 ))
   (( segid "    " and resid 24   and name HA  ))
 OR {  192}
   (( segid "    " and resid 85   and name HD2 ))
   (( segid "    " and resid 24   and name HA  ))
 OR {  192}
   (( segid "    " and resid 85   and name HD3 ))
   (( segid "    " and resid 20   and name HA  ))
 OR {  192}
   (( segid "    " and resid 85   and name HD2 ))
   (( segid "    " and resid 20   and name HA  ))
 ASSI {  193}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 24   and name HA  ))
      2.300     0.700     0.700 peak   193 spectrum    1 weight  0.10000E+01 volume  0.10894E-01 ppm1      1.769 ppm2      4.128 CV     1
 OR {  193}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 70   and name HA  ))
 OR {  193}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 71   and name HA  ))
 OR {  193}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 19   and name HB2 ))
 OR {  193}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 20   and name HA  ))
 OR {  193}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 1    and name HA  ))
 OR {  193}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 75   and name HB  ))
 OR {  193}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 65   and name HA  ))
 OR {  193}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 7    and name HB  ))
 OR {  193}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 63   and name HA  ))
 OR {  193}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 62   and name HA  ))
 OR {  193}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 62   and name HA  ))
 OR {  193}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 63   and name HA  ))
 OR {  193}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 7    and name HB  ))
 OR {  193}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 65   and name HA  ))
 OR {  193}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 1    and name HA  ))
 OR {  193}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 19   and name HB2 ))
 OR {  193}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 70   and name HA  ))
 OR {  193}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 24   and name HA  ))
 OR {  193}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 20   and name HA  ))
 OR {  193}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 71   and name HA  ))
 OR {  193}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 75   and name HB  ))
 ASSI {  194}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 68   and name HG3 ))
      3.600     1.600     1.600 peak   194 spectrum    1 weight  0.10000E+01 volume  0.15325E-02 ppm1      4.030 ppm2      1.699 CV     1
 OR {  194}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 70   and name HB2 ))
 OR {  194}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 70   and name HB3 ))
 OR {  194}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 68   and name HB3 ))
 OR {  194}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
 OR {  194}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 71   and name HB3 ))
 OR {  194}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 77   and name HB2 ))
 OR {  194}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 78   and name HB3 ))
 OR {  194}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 78   and name HB2 ))
 OR {  194}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 56   and name HG3 ))
 OR {  194}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 85   and name HB3 ))
 OR {  194}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 85   and name HB2 ))
 OR {  194}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {  194}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 86   and name HB2 ))
 OR {  194}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 33   and name HB3 ))
 OR {  194}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 17   and name HB3 ))
 OR {  194}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 18   and name HG  ))
 OR {  194}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 25   and name HD3 ))
 OR {  194}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 24   and name HG3 ))
 OR {  194}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 21   and name HB3 ))
 OR {  194}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 21   and name HB2 ))
 ASSI {  195}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 70   and name H   ))
      2.400     0.700     0.700 peak   195 spectrum    1 weight  0.10000E+01 volume  0.82122E-02 ppm1      4.032 ppm2      8.011 CV     1
 OR {  195}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name H   ))
 OR {  195}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 71   and name H   ))
 OR {  195}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 72   and name H   ))
 OR {  195}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 66   and name H   ))
 OR {  195}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 66   and name H   ))
 OR {  195}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 70   and name H   ))
 OR {  195}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 71   and name H   ))
 OR {  195}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 75   and name H   ))
 OR {  195}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 72   and name H   ))
 OR {  195}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 70   and name H   ))
 OR {  195}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 71   and name H   ))
 OR {  195}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 75   and name H   ))
 OR {  195}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 72   and name H   ))
 OR {  195}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 75   and name H   ))
 OR {  195}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 83   and name H   ))
 OR {  195}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 84   and name H   ))
 OR {  195}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 39   and name H   ))
 OR {  195}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 35   and name H   ))
 OR {  195}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 83   and name H   ))
 OR {  195}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 84   and name H   ))
 OR {  195}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 39   and name H   ))
 OR {  195}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 35   and name H   ))
 OR {  195}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 83   and name H   ))
 OR {  195}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 84   and name H   ))
 OR {  195}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 39   and name H   ))
 OR {  195}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 35   and name H   ))
 ASSI {  196}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HB2 ))
      2.100     0.600     0.600 peak   196 spectrum    1 weight  0.10000E+01 volume  0.17985E-01 ppm1      4.035 ppm2      1.949 CV     1
 OR {  196}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB2 ))
 OR {  196}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {  196}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HB3 ))
 OR {  196}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 69   and name HB3 ))
 OR {  196}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 66   and name HB2 ))
 OR {  196}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {  196}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 66   and name HB3 ))
 OR {  196}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 69   and name HB2 ))
 OR {  196}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 63   and name HB2 ))
 OR {  196}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 59   and name HB2 ))
 OR {  196}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 59   and name HG2 ))
 OR {  196}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 69   and name HB3 ))
 OR {  196}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 57   and name HB3 ))
 OR {  196}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 69   and name HB2 ))
 OR {  196}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 59   and name HB2 ))
 OR {  196}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 59   and name HG2 ))
 OR {  196}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 57   and name HB3 ))
 OR {  196}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 47   and name HB3 ))
 OR {  196}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 49   and name HB3 ))
 OR {  196}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 44   and name HB  ))
 OR {  196}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 47   and name HB3 ))
 OR {  196}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 49   and name HB3 ))
 OR {  196}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
 OR {  196}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 12   and name HB3 ))
 OR {  196}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 44   and name HB  ))
 OR {  196}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 13   and name HB3 ))
 OR {  196}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 33   and name HB2 ))
 OR {  196}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 83   and name HE% )
 OR {  196}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 32   and name HB2 ))
 OR {  196}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 5    and name HG2 ))
 OR {  196}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 83   and name HB2 ))
 OR {  196}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 5    and name HG3 ))
 OR {  196}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
 OR {  196}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 12   and name HB3 ))
 OR {  196}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
 OR {  196}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 4    and name HG3 ))
 OR {  196}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {  196}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 13   and name HB3 ))
 OR {  196}
   (( segid "    " and resid 63   and name HA  ))
   (  segid "    " and resid 83   and name HE% )
 OR {  196}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 33   and name HB2 ))
 OR {  196}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 87   and name HE% )
 OR {  196}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 32   and name HB2 ))
 OR {  196}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 5    and name HG2 ))
 OR {  196}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 83   and name HB2 ))
 OR {  196}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 5    and name HG3 ))
 OR {  196}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
 OR {  196}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 87   and name HB3 ))
 OR {  196}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
 OR {  196}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 24   and name HB2 ))
 OR {  196}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 4    and name HG3 ))
 OR {  196}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {  196}
   (( segid "    " and resid 63   and name HA  ))
   (  segid "    " and resid 87   and name HE% )
 OR {  196}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
 OR {  196}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 87   and name HB3 ))
 OR {  196}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 24   and name HB2 ))
 ASSI {  197}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HG2 ))
      2.500     0.800     0.800 peak   197 spectrum    1 weight  0.10000E+01 volume  0.54747E-02 ppm1      4.040 ppm2      2.260 CV     1
 OR {  197}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HG3 ))
 OR {  197}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HG3 ))
 OR {  197}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 63   and name HG2 ))
 OR {  197}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 63   and name HG3 ))
 OR {  197}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 69   and name HG3 ))
 OR {  197}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 66   and name HG3 ))
 OR {  197}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 69   and name HG3 ))
 OR {  197}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 56   and name HD3 ))
 OR {  197}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 49   and name HG2 ))
 OR {  197}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 49   and name HG3 ))
 OR {  197}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 49   and name HB2 ))
 OR {  197}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 54   and name HB  ))
 OR {  197}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 56   and name HD3 ))
 OR {  197}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 49   and name HG2 ))
 OR {  197}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 49   and name HG3 ))
 OR {  197}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 49   and name HB2 ))
 OR {  197}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 41   and name HG2 ))
 OR {  197}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 54   and name HB  ))
 OR {  197}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 12   and name HG2 ))
 OR {  197}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 12   and name HG3 ))
 OR {  197}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 33   and name HG2 ))
 OR {  197}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 41   and name HG2 ))
 OR {  197}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 32   and name HG2 ))
 OR {  197}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 5    and name HB2 ))
 OR {  197}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 12   and name HG2 ))
 OR {  197}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 4    and name HB3 ))
 OR {  197}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 30   and name HG2 ))
 OR {  197}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 12   and name HG3 ))
 OR {  197}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 33   and name HG2 ))
 OR {  197}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 28   and name HG2 ))
 OR {  197}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 32   and name HG2 ))
 OR {  197}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 5    and name HB2 ))
 OR {  197}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 30   and name HG2 ))
 OR {  197}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 4    and name HB3 ))
 OR {  197}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 28   and name HG2 ))
 ASSI {  198}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HG2 ))
      3.000     1.100     1.100 peak   198 spectrum    1 weight  0.10000E+01 volume  0.73904E-02 ppm1      4.034 ppm2      2.133 CV     1
 OR {  198}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 69   and name HG2 ))
 OR {  198}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 66   and name HG2 ))
 OR {  198}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 59   and name HG3 ))
 OR {  198}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 69   and name HG2 ))
 OR {  198}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 59   and name HG3 ))
 OR {  198}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 77   and name HB3 ))
 OR {  198}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 77   and name HB3 ))
 OR {  198}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 33   and name HG3 ))
 OR {  198}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 32   and name HG3 ))
 OR {  198}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 5    and name HB2 ))
 OR {  198}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 30   and name HB3 ))
 OR {  198}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 30   and name HG3 ))
 OR {  198}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 28   and name HG3 ))
 OR {  198}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 33   and name HG3 ))
 OR {  198}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 32   and name HG3 ))
 OR {  198}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
 OR {  198}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 5    and name HB2 ))
 OR {  198}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 26   and name HB  ))
 OR {  198}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 87   and name HB2 ))
 OR {  198}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 30   and name HB3 ))
 OR {  198}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 30   and name HG3 ))
 OR {  198}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 28   and name HG3 ))
 OR {  198}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
 OR {  198}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 26   and name HB  ))
 OR {  198}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 87   and name HB2 ))
 ASSI {  199}
   (( segid "    " and resid 69   and name HG3 ))
   (  segid "    " and resid 61   and name HD2%)
      2.400     0.700     0.700 peak   199 spectrum    1 weight  0.10000E+01 volume  0.95502E-03 ppm1      2.217 ppm2      0.345 CV     1
 OR {  199}
   (( segid "    " and resid 33   and name HG2 ))
   (  segid "    " and resid 61   and name HD2%)
 OR {  199}
   (( segid "    " and resid 30   and name HG2 ))
   (  segid "    " and resid 61   and name HD2%)
 ASSI {  203}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 66   and name HA  ))
      2.800     1.000     1.000 peak   203 spectrum    1 weight  0.10000E+01 volume  0.52915E-02 ppm1      2.222 ppm2      4.024 CV     1
 OR {  203}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 69   and name HA  ))
 OR {  203}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 68   and name HA  ))
 OR {  203}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 68   and name HA  ))
 OR {  203}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 36   and name HA3 ))
 OR {  203}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 69   and name HA  ))
 OR {  203}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 36   and name HA3 ))
 OR {  203}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 66   and name HA  ))
 OR {  203}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 63   and name HA  ))
 OR {  203}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 74   and name HA2 ))
 OR {  203}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 22   and name HA  ))
 OR {  203}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 61   and name HA  ))
 OR {  203}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 63   and name HA  ))
 OR {  203}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 48   and name HA  ))
 OR {  203}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 74   and name HA2 ))
 OR {  203}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 22   and name HA  ))
 OR {  203}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 59   and name HD3 ))
 OR {  203}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 61   and name HA  ))
 OR {  203}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 48   and name HA  ))
 OR {  203}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 59   and name HD3 ))
 OR {  203}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 59   and name HD3 ))
 OR {  203}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 48   and name HA  ))
 OR {  203}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 59   and name HD3 ))
 OR {  203}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 61   and name HA  ))
 OR {  203}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 63   and name HA  ))
 OR {  203}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 48   and name HA  ))
 OR {  203}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 61   and name HA  ))
 OR {  203}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 63   and name HA  ))
 OR {  203}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 66   and name HA  ))
 OR {  203}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 36   and name HA3 ))
 OR {  203}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 68   and name HA  ))
 OR {  203}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 66   and name HA  ))
 OR {  203}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 69   and name HA  ))
 OR {  203}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 36   and name HA3 ))
 OR {  203}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 68   and name HA  ))
 OR {  203}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 69   and name HA  ))
 OR {  203}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 22   and name HA  ))
 OR {  203}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 74   and name HA2 ))
 OR {  203}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 74   and name HA2 ))
 OR {  203}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 22   and name HA  ))
 ASSI {  204}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 66   and name HA  ))
      3.000     1.100     1.100 peak   204 spectrum    1 weight  0.10000E+01 volume  0.83676E-02 ppm1      2.133 ppm2      4.033 CV     1
 OR {  204}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 69   and name HA  ))
 OR {  204}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 68   and name HA  ))
 OR {  204}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 68   and name HA  ))
 OR {  204}
   (( segid "    " and resid 30   and name HG3 ))
   (( segid "    " and resid 36   and name HA3 ))
 OR {  204}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 69   and name HA  ))
 OR {  204}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 66   and name HA  ))
 OR {  204}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 63   and name HA  ))
 OR {  204}
   (( segid "    " and resid 30   and name HG3 ))
   (( segid "    " and resid 22   and name HA  ))
 OR {  204}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 61   and name HA  ))
 OR {  204}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 63   and name HA  ))
 OR {  204}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 59   and name HD3 ))
 OR {  204}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 61   and name HA  ))
 OR {  204}
   (( segid "    " and resid 30   and name HG3 ))
   (( segid "    " and resid 48   and name HA  ))
 OR {  204}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 59   and name HD3 ))
 OR {  204}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 48   and name HA  ))
 OR {  204}
   (( segid "    " and resid 30   and name HG3 ))
   (( segid "    " and resid 59   and name HD3 ))
 OR {  204}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 48   and name HA  ))
 OR {  204}
   (( segid "    " and resid 30   and name HG3 ))
   (( segid "    " and resid 61   and name HA  ))
 OR {  204}
   (( segid "    " and resid 30   and name HG3 ))
   (( segid "    " and resid 63   and name HA  ))
 OR {  204}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 36   and name HA3 ))
 OR {  204}
   (( segid "    " and resid 30   and name HG3 ))
   (( segid "    " and resid 66   and name HA  ))
 OR {  204}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 36   and name HA3 ))
 OR {  204}
   (( segid "    " and resid 30   and name HG3 ))
   (( segid "    " and resid 68   and name HA  ))
 OR {  204}
   (( segid "    " and resid 30   and name HG3 ))
   (( segid "    " and resid 69   and name HA  ))
 OR {  204}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 22   and name HA  ))
 OR {  204}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 22   and name HA  ))
 ASSI {  205}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 32   and name HA  ))
      2.200     0.600     0.600 peak   205 spectrum    1 weight  0.10000E+01 volume  0.16269E-02 ppm1      2.227 ppm2      4.483 CV     1
 OR {  205}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 31   and name HA  ))
 OR {  205}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 12   and name HA  ))
 OR {  205}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 14   and name HA  ))
 OR {  205}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 9    and name HA  ))
 OR {  205}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 10   and name HA  ))
 OR {  205}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 40   and name HA  ))
 OR {  205}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 52   and name HA  ))
 OR {  205}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 44   and name HA  ))
 OR {  205}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 17   and name HA  ))
 OR {  205}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 18   and name HA  ))
 OR {  205}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 3    and name HA  ))
 OR {  205}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 49   and name HA  ))
 OR {  205}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 57   and name HA  ))
 OR {  205}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 59   and name HA  ))
 OR {  205}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 67   and name HA  ))
 OR {  205}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 76   and name HA  ))
 OR {  205}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 81   and name HA  ))
 OR {  205}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 87   and name HA  ))
 ASSI {  206}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 69   and name H   ))
      3.000     1.100     1.100 peak   206 spectrum    1 weight  0.10000E+01 volume  0.22376E-02 ppm1      2.223 ppm2      8.329 CV     1
 OR {  206}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 69   and name H   ))
 OR {  206}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 6    and name H   ))
 OR {  206}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 3    and name H   ))
 OR {  206}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 2    and name H   ))
 OR {  206}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 6    and name H   ))
 OR {  206}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 43   and name H   ))
 OR {  206}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 74   and name H   ))
 OR {  206}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 3    and name H   ))
 OR {  206}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 43   and name H   ))
 OR {  206}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 2    and name H   ))
 OR {  206}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 76   and name H   ))
 OR {  206}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 55   and name H   ))
 OR {  206}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 74   and name H   ))
 OR {  206}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 55   and name H   ))
 OR {  206}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 58   and name H   ))
 OR {  206}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 76   and name H   ))
 OR {  206}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 58   and name H   ))
 OR {  206}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 58   and name H   ))
 OR {  206}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 58   and name H   ))
 OR {  206}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 55   and name H   ))
 OR {  206}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 55   and name H   ))
 OR {  206}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 43   and name H   ))
 OR {  206}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 87   and name H   ))
 OR {  206}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 43   and name H   ))
 OR {  206}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 87   and name H   ))
 OR {  206}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 6    and name H   ))
 OR {  206}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 69   and name H   ))
 OR {  206}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 3    and name H   ))
 OR {  206}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 6    and name H   ))
 OR {  206}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 2    and name H   ))
 OR {  206}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 69   and name H   ))
 OR {  206}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 3    and name H   ))
 OR {  206}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 74   and name H   ))
 OR {  206}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 2    and name H   ))
 OR {  206}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 76   and name H   ))
 OR {  206}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 74   and name H   ))
 OR {  206}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 76   and name H   ))
 OR {  206}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 87   and name H   ))
 OR {  206}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 87   and name H   ))
 ASSI {  207}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 70   and name H   ))
      3.300     1.300     1.300 peak   207 spectrum    1 weight  0.10000E+01 volume  0.21321E-02 ppm1      2.224 ppm2      8.008 CV     1
 OR {  207}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 66   and name H   ))
 OR {  207}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 35   and name H   ))
 OR {  207}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 71   and name H   ))
 OR {  207}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 35   and name H   ))
 OR {  207}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 72   and name H   ))
 OR {  207}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 70   and name H   ))
 OR {  207}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 66   and name H   ))
 OR {  207}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 39   and name H   ))
 OR {  207}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 39   and name H   ))
 OR {  207}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 71   and name H   ))
 OR {  207}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 72   and name H   ))
 OR {  207}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 75   and name H   ))
 OR {  207}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 75   and name H   ))
 OR {  207}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 83   and name H   ))
 OR {  207}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 84   and name H   ))
 OR {  207}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 83   and name H   ))
 OR {  207}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 84   and name H   ))
 OR {  207}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 66   and name H   ))
 OR {  207}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 39   and name H   ))
 OR {  207}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 35   and name H   ))
 OR {  207}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 66   and name H   ))
 OR {  207}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 39   and name H   ))
 OR {  207}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 70   and name H   ))
 OR {  207}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 35   and name H   ))
 OR {  207}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 71   and name H   ))
 OR {  207}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 72   and name H   ))
 OR {  207}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 70   and name H   ))
 OR {  207}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 71   and name H   ))
 OR {  207}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 72   and name H   ))
 OR {  207}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 75   and name H   ))
 OR {  207}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 75   and name H   ))
 OR {  207}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 83   and name H   ))
 OR {  207}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 84   and name H   ))
 OR {  207}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 83   and name H   ))
 OR {  207}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 84   and name H   ))
 ASSI {  208}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 54   and name HD1%)
      3.900     1.900     1.900 peak   208 spectrum    1 weight  0.10000E+01 volume  0.15602E-02 ppm1      1.973 ppm2      0.778 CV     1
 OR {  208}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 52   and name HG13))
 OR {  208}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  208}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  208}
   (( segid "    " and resid 69   and name HB3 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  208}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  208}
   (( segid "    " and resid 69   and name HB3 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  208}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  208}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  208}
   (( segid "    " and resid 66   and name HB3 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  208}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  208}
   (( segid "    " and resid 66   and name HB3 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  208}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  208}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  208}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  208}
   (( segid "    " and resid 69   and name HB3 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  208}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  208}
   (( segid "    " and resid 69   and name HB3 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  208}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  208}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  208}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  208}
   (( segid "    " and resid 66   and name HB3 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  208}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  208}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  208}
   (( segid "    " and resid 69   and name HB3 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  208}
   (( segid "    " and resid 66   and name HB3 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  208}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  208}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  208}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  208}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  208}
   (( segid "    " and resid 66   and name HB3 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  208}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  208}
   (( segid "    " and resid 66   and name HB3 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  208}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  208}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  208}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {  208}
   (( segid "    " and resid 66   and name HB3 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  208}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  208}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 84   and name HD1%)
 OR {  208}
   (( segid "    " and resid 69   and name HB3 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  208}
   (( segid "    " and resid 69   and name HB3 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  208}
   (( segid "    " and resid 69   and name HB3 ))
   (  segid "    " and resid 84   and name HD1%)
 OR {  208}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  208}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 52   and name HG13))
 OR {  208}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 52   and name HG13))
 OR {  208}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  208}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  208}
   (( segid "    " and resid 66   and name HB3 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  208}
   (( segid "    " and resid 66   and name HB3 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  208}
   (( segid "    " and resid 69   and name HB3 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  208}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  208}
   (( segid "    " and resid 66   and name HB3 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  208}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  208}
   (( segid "    " and resid 66   and name HB3 ))
   (  segid "    " and resid 84   and name HD1%)
 OR {  208}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 84   and name HD1%)
 OR {  208}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  208}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  208}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 52   and name HG13))
 OR {  208}
   (( segid "    " and resid 69   and name HB3 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  208}
   (( segid "    " and resid 69   and name HB3 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  208}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  208}
   (( segid "    " and resid 66   and name HB3 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  208}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  208}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 52   and name HG13))
 OR {  208}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  208}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  208}
   (( segid "    " and resid 66   and name HB3 ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  208}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  208}
   (( segid "    " and resid 66   and name HB3 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  208}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  208}
   (( segid "    " and resid 66   and name HB3 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  208}
   (( segid "    " and resid 69   and name HB3 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  208}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  208}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  208}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  208}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  208}
   (( segid "    " and resid 66   and name HB3 ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  208}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  208}
   (( segid "    " and resid 66   and name HB3 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  208}
   (( segid "    " and resid 69   and name HB3 ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  208}
   (( segid "    " and resid 69   and name HB3 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  208}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  208}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  208}
   (( segid "    " and resid 66   and name HB3 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  208}
   (( segid "    " and resid 69   and name HB3 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  208}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  208}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  208}
   (( segid "    " and resid 69   and name HB3 ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  208}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  208}
   (( segid "    " and resid 69   and name HB3 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  208}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  208}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  208}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {  208}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {  208}
   (( segid "    " and resid 69   and name HB3 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  208}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  208}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  208}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 84   and name HD1%)
 OR {  208}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {  208}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 23   and name HB3 ))
 ASSI {  209}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 47   and name HD2%)
      4.000     2.000     2.000 peak   209 spectrum    1 weight  0.10000E+01 volume  0.14603E-02 ppm1      1.911 ppm2      0.761 CV     1
 OR {  209}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  209}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  209}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 52   and name HG13))
 OR {  209}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  209}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  209}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  209}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  209}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  209}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  209}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  209}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  209}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  209}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  209}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  209}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  209}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  209}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  209}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  209}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  209}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  209}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  209}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  209}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  209}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  209}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  209}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  209}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  209}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  209}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  209}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 84   and name HD1%)
 OR {  209}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  209}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  209}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 52   and name HG13))
 OR {  209}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  209}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  209}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  209}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  209}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 84   and name HD1%)
 OR {  209}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  209}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  209}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  209}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  209}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 52   and name HG13))
 OR {  209}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  209}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  209}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  209}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  209}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  209}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  209}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  209}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  209}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  209}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  209}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  209}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  209}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  209}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  209}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  209}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  209}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  209}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  209}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  210}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 69   and name HG2 ))
      1.900     0.500     0.500 peak   210 spectrum    1 weight  0.10000E+01 volume  0.21444E-01 ppm1      1.977 ppm2      2.133 CV     1
 OR {  210}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 66   and name HG2 ))
 OR {  210}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 66   and name HG2 ))
 OR {  210}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 66   and name HG2 ))
 OR {  210}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 69   and name HG2 ))
 OR {  210}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 69   and name HG2 ))
 OR {  210}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 59   and name HG3 ))
 OR {  210}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 33   and name HG3 ))
 OR {  210}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 32   and name HG3 ))
 OR {  210}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 59   and name HG3 ))
 OR {  210}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 5    and name HB2 ))
 OR {  210}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 59   and name HG3 ))
 OR {  210}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 30   and name HB3 ))
 OR {  210}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 30   and name HG3 ))
 OR {  210}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 77   and name HB3 ))
 OR {  210}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 28   and name HG3 ))
 OR {  210}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 17   and name HB2 ))
 OR {  210}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 59   and name HG3 ))
 OR {  210}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 26   and name HB  ))
 OR {  210}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 77   and name HB3 ))
 OR {  210}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 77   and name HB3 ))
 OR {  210}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 66   and name HG2 ))
 OR {  210}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 69   and name HG2 ))
 OR {  210}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 87   and name HB2 ))
 OR {  210}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 33   and name HG3 ))
 OR {  210}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 33   and name HG3 ))
 OR {  210}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 32   and name HG3 ))
 OR {  210}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 32   and name HG3 ))
 OR {  210}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 5    and name HB2 ))
 OR {  210}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 5    and name HB2 ))
 OR {  210}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 30   and name HB3 ))
 OR {  210}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 30   and name HG3 ))
 OR {  210}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 87   and name HB2 ))
 OR {  210}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 30   and name HB3 ))
 OR {  210}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 30   and name HG3 ))
 OR {  210}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 87   and name HB2 ))
 OR {  210}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 28   and name HG3 ))
 OR {  210}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 33   and name HG3 ))
 OR {  210}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 28   and name HG3 ))
 OR {  210}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 32   and name HG3 ))
 OR {  210}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 17   and name HB2 ))
 OR {  210}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 17   and name HB2 ))
 OR {  210}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 5    and name HB2 ))
 OR {  210}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 26   and name HB  ))
 OR {  210}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 26   and name HB  ))
 OR {  210}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 30   and name HB3 ))
 OR {  210}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 30   and name HG3 ))
 OR {  210}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 77   and name HB3 ))
 OR {  210}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 28   and name HG3 ))
 OR {  210}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 17   and name HB2 ))
 OR {  210}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 26   and name HB  ))
 OR {  210}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 87   and name HB2 ))
 ASSI {  211}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 66   and name HG2 ))
      2.100     0.500     0.500 peak   211 spectrum    1 weight  0.10000E+01 volume  0.19989E-01 ppm1      1.921 ppm2      2.134 CV     1
 OR {  211}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 69   and name HG2 ))
 OR {  211}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 66   and name HG2 ))
 OR {  211}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 69   and name HG2 ))
 OR {  211}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 59   and name HG3 ))
 OR {  211}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 77   and name HB3 ))
 OR {  211}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 59   and name HG3 ))
 OR {  211}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 77   and name HB3 ))
 OR {  211}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 87   and name HB2 ))
 OR {  211}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 33   and name HG3 ))
 OR {  211}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 32   and name HG3 ))
 OR {  211}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 5    and name HB2 ))
 OR {  211}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 30   and name HB3 ))
 OR {  211}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 30   and name HG3 ))
 OR {  211}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 87   and name HB2 ))
 OR {  211}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 28   and name HG3 ))
 OR {  211}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 33   and name HG3 ))
 OR {  211}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 17   and name HB2 ))
 OR {  211}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 32   and name HG3 ))
 OR {  211}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 26   and name HB  ))
 OR {  211}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 5    and name HB2 ))
 OR {  211}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 30   and name HB3 ))
 OR {  211}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 30   and name HG3 ))
 OR {  211}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 28   and name HG3 ))
 OR {  211}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 17   and name HB2 ))
 OR {  211}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 26   and name HB  ))
 ASSI {  212}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 49   and name HB2 ))
      1.500     0.300     0.700 peak   212 spectrum    1 weight  0.10000E+01 volume  0.45613E-01 ppm1      1.926 ppm2      2.250 CV     1
 OR {  212}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 49   and name HG3 ))
 OR {  212}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 49   and name HG2 ))
 OR {  212}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 54   and name HB  ))
 OR {  212}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 41   and name HG2 ))
 OR {  212}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 12   and name HG2 ))
 OR {  212}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 12   and name HG3 ))
 OR {  212}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 33   and name HG2 ))
 OR {  212}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 32   and name HG2 ))
 OR {  212}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 5    and name HB2 ))
 OR {  212}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 30   and name HG2 ))
 OR {  212}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 4    and name HB3 ))
 OR {  212}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 28   and name HG2 ))
 OR {  212}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 63   and name HG3 ))
 OR {  212}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 63   and name HG2 ))
 OR {  212}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 17   and name HB2 ))
 OR {  212}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 66   and name HG3 ))
 OR {  212}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 69   and name HG3 ))
 ASSI {  213}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 46   and name HB3 ))
      3.400     1.400     1.400 peak   213 spectrum    1 weight  0.10000E+01 volume  0.15602E-02 ppm1      1.919 ppm2      3.056 CV     1
 OR {  213}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 50   and name HD3 ))
 OR {  213}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 50   and name HD2 ))
 OR {  213}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 58   and name HB3 ))
 OR {  213}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 39   and name HB2 ))
 OR {  213}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 14   and name HB2 ))
 OR {  213}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 14   and name HB3 ))
 OR {  213}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 64   and name HB3 ))
 OR {  213}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 64   and name HB2 ))
 OR {  213}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 1    and name HB3 ))
 OR {  213}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 65   and name HB3 ))
 OR {  213}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 1    and name HB2 ))
 OR {  213}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 24   and name HD3 ))
 OR {  213}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 67   and name HB3 ))
 OR {  213}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 70   and name HD2 ))
 OR {  213}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 70   and name HD3 ))
 OR {  213}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 73   and name HB2 ))
 OR {  213}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 81   and name HB2 ))
 OR {  213}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 85   and name HD3 ))
 OR {  213}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 85   and name HD2 ))
 ASSI {  214}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 66   and name HA  ))
      2.200     0.600     0.600 peak   214 spectrum    1 weight  0.10000E+01 volume  0.15608E-01 ppm1      1.977 ppm2      4.033 CV     1
 OR {  214}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 69   and name HA  ))
 OR {  214}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 66   and name HA  ))
 OR {  214}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 68   and name HA  ))
 OR {  214}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 68   and name HA  ))
 OR {  214}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 68   and name HA  ))
 OR {  214}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 66   and name HA  ))
 OR {  214}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 63   and name HA  ))
 OR {  214}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 63   and name HA  ))
 OR {  214}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 69   and name HA  ))
 OR {  214}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 69   and name HA  ))
 OR {  214}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 61   and name HA  ))
 OR {  214}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 61   and name HA  ))
 OR {  214}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 63   and name HA  ))
 OR {  214}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 59   and name HD3 ))
 OR {  214}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 59   and name HD3 ))
 OR {  214}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 61   and name HA  ))
 OR {  214}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 59   and name HD3 ))
 OR {  214}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 48   and name HA  ))
 OR {  214}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 48   and name HA  ))
 OR {  214}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 48   and name HA  ))
 OR {  214}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 36   and name HA3 ))
 OR {  214}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 36   and name HA3 ))
 OR {  214}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 36   and name HA3 ))
 OR {  214}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 22   and name HA  ))
 OR {  214}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 22   and name HA  ))
 OR {  214}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 22   and name HA  ))
 ASSI {  215}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 69   and name HA  ))
      2.000     0.500     0.500 peak   215 spectrum    1 weight  0.10000E+01 volume  0.15003E-01 ppm1      1.921 ppm2      4.033 CV     1
 OR {  215}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 66   and name HA  ))
 OR {  215}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 68   and name HA  ))
 OR {  215}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 68   and name HA  ))
 OR {  215}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 63   and name HA  ))
 OR {  215}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 66   and name HA  ))
 OR {  215}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 69   and name HA  ))
 OR {  215}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 61   and name HA  ))
 OR {  215}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 63   and name HA  ))
 OR {  215}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 59   and name HD3 ))
 OR {  215}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 61   and name HA  ))
 OR {  215}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 59   and name HD3 ))
 OR {  215}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 48   and name HA  ))
 OR {  215}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 48   and name HA  ))
 OR {  215}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 36   and name HA3 ))
 OR {  215}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 36   and name HA3 ))
 OR {  215}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 22   and name HA  ))
 OR {  215}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 22   and name HA  ))
 ASSI {  216}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 65   and name HE% )
      4.200     2.200     1.800 peak   216 spectrum    1 weight  0.10000E+01 volume  0.85508E-03 ppm1      1.975 ppm2      7.076 CV     1
 OR {  216}
   (( segid "    " and resid 66   and name HB3 ))
   (  segid "    " and resid 65   and name HE% )
 OR {  216}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 50   and name HE  ))
 OR {  216}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 67   and name HD2 ))
 OR {  216}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 67   and name HD2 ))
 OR {  216}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 67   and name HD2 ))
 OR {  216}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 43   and name HZ  ))
 OR {  216}
   (( segid "    " and resid 69   and name HB3 ))
   (  segid "    " and resid 65   and name HE% )
 OR {  216}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 55   and name HD2 ))
 OR {  216}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 58   and name HD22))
 OR {  216}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 73   and name HD2 ))
 OR {  216}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 40   and name H   ))
 OR {  216}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 39   and name HD2 ))
 OR {  216}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 14   and name HD% )
 OR {  216}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 32   and name HE22))
 OR {  216}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 73   and name HD2 ))
 OR {  216}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 73   and name HD2 ))
 OR {  216}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 58   and name HD22))
 OR {  216}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 58   and name HD22))
 OR {  216}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 15   and name HE  ))
 OR {  216}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 55   and name HD2 ))
 OR {  216}
   (( segid "    " and resid 69   and name HB3 ))
   (  segid "    " and resid 81   and name HD% )
 OR {  216}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 65   and name HE% )
 OR {  216}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 55   and name HD2 ))
 OR {  216}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 58   and name HD22))
 OR {  216}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 50   and name HE  ))
 OR {  216}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 50   and name HE  ))
 OR {  216}
   (( segid "    " and resid 66   and name HB3 ))
   (  segid "    " and resid 81   and name HD% )
 OR {  216}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 67   and name HD2 ))
 OR {  216}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 81   and name HD% )
 OR {  216}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 55   and name HD2 ))
 OR {  216}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 43   and name HZ  ))
 OR {  216}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 43   and name HZ  ))
 OR {  216}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 50   and name HE  ))
 OR {  216}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 40   and name H   ))
 OR {  216}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 40   and name H   ))
 OR {  216}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 14   and name HD% )
 OR {  216}
   (( segid "    " and resid 66   and name HB3 ))
   (  segid "    " and resid 14   and name HD% )
 OR {  216}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 43   and name HZ  ))
 OR {  216}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 39   and name HD2 ))
 OR {  216}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 39   and name HD2 ))
 OR {  216}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 32   and name HE22))
 OR {  216}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 32   and name HE22))
 OR {  216}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 73   and name HD2 ))
 OR {  216}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 40   and name H   ))
 OR {  216}
   (( segid "    " and resid 69   and name HB3 ))
   (  segid "    " and resid 14   and name HD% )
 OR {  216}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 15   and name HE  ))
 OR {  216}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 15   and name HE  ))
 OR {  216}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 39   and name HD2 ))
 OR {  216}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 32   and name HE22))
 OR {  216}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 15   and name HE  ))
 OR {  216}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 81   and name HD% )
 ASSI {  217}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 65   and name HD% )
      3.400     1.500     1.500 peak   217 spectrum    1 weight  0.10000E+01 volume  0.91061E-03 ppm1      1.907 ppm2      7.100 CV     1
 OR {  217}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 65   and name HE% )
 OR {  217}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 67   and name HD2 ))
 OR {  217}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 67   and name HD2 ))
 OR {  217}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 65   and name HE% )
 OR {  217}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 65   and name HD% )
 OR {  217}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 73   and name HD2 ))
 OR {  217}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 73   and name HD2 ))
 OR {  217}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 58   and name HD22))
 OR {  217}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 81   and name HD% )
 OR {  217}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 55   and name HD2 ))
 OR {  217}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 81   and name HE% )
 OR {  217}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 58   and name HD22))
 OR {  217}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 50   and name HE  ))
 OR {  217}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 81   and name HD% )
 OR {  217}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 81   and name HE% )
 OR {  217}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 55   and name HD2 ))
 OR {  217}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 43   and name HZ  ))
 OR {  217}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 50   and name HE  ))
 OR {  217}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 39   and name HD2 ))
 OR {  217}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 43   and name HZ  ))
 OR {  217}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 32   and name HE22))
 OR {  217}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 15   and name HE  ))
 OR {  217}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 1    and name HD% )
 OR {  217}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 39   and name HD2 ))
 OR {  217}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 32   and name HE22))
 OR {  217}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 1    and name HD% )
 OR {  217}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 15   and name HE  ))
 ASSI {  218}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 50   and name H   ))
      2.800     1.000     1.000 peak   218 spectrum    1 weight  0.10000E+01 volume  0.15269E-02 ppm1      1.926 ppm2      7.232 CV     1
 OR {  218}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 43   and name HE% )
 OR {  218}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 65   and name HD% )
 OR {  218}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 26   and name H   ))
 OR {  218}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 1    and name HE% )
 OR {  218}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 64   and name HZ2 ))
 OR {  218}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 1    and name HZ  ))
 OR {  218}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 22   and name H   ))
 OR {  218}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 70   and name HE  ))
 OR {  218}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 85   and name HE  ))
 ASSI {  219}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HB3 ))
      2.600     0.900     0.900 peak   219 spectrum    1 weight  0.10000E+01 volume  0.66464E-02 ppm1      3.988 ppm2      1.697 CV     1
 OR {  219}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HG3 ))
 OR {  219}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 70   and name HB2 ))
 OR {  219}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 70   and name HB3 ))
 OR {  219}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
 OR {  219}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 71   and name HB3 ))
 OR {  219}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 77   and name HB2 ))
 OR {  219}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 78   and name HB3 ))
 OR {  219}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 78   and name HB2 ))
 OR {  219}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 56   and name HG3 ))
 OR {  219}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {  219}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 85   and name HB3 ))
 OR {  219}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 85   and name HB2 ))
 OR {  219}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 86   and name HB2 ))
 OR {  219}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 33   and name HB3 ))
 OR {  219}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 17   and name HB3 ))
 OR {  219}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 18   and name HG  ))
 OR {  219}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 25   and name HD3 ))
 OR {  219}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 24   and name HG3 ))
 OR {  219}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 21   and name HB3 ))
 OR {  219}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 21   and name HB2 ))
 ASSI {  220}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HB3 ))
      2.900     1.100     1.100 peak   220 spectrum    1 weight  0.10000E+01 volume  0.32760E-02 ppm1      3.995 ppm2      1.550 CV     1
 OR {  220}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 70   and name HG3 ))
 OR {  220}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 70   and name HG2 ))
 OR {  220}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {  220}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {  220}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 72   and name HB3 ))
 OR {  220}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 47   and name HG  ))
 OR {  220}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 61   and name HB3 ))
 OR {  220}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 76   and name HB2 ))
 OR {  220}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 76   and name HG  ))
 OR {  220}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 45   and name HG  ))
 OR {  220}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 52   and name HB  ))
 OR {  220}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 70   and name HG3 ))
 OR {  220}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 70   and name HG2 ))
 OR {  220}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 78   and name HD2 ))
 OR {  220}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 78   and name HD3 ))
 OR {  220}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {  220}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {  220}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 72   and name HB3 ))
 OR {  220}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 13   and name HG  ))
 OR {  220}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 47   and name HG  ))
 OR {  220}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
 OR {  220}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 76   and name HB2 ))
 OR {  220}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 84   and name HB2 ))
 OR {  220}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 76   and name HG  ))
 OR {  220}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 84   and name HB3 ))
 OR {  220}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 84   and name HG  ))
 OR {  220}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 45   and name HG  ))
 OR {  220}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 52   and name HB  ))
 OR {  220}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {  220}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 3    and name HB3 ))
 OR {  220}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {  220}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 3    and name HB2 ))
 OR {  220}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {  220}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 3    and name HG  ))
 OR {  220}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 85   and name HG3 ))
 OR {  220}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 78   and name HD2 ))
 OR {  220}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 18   and name HB2 ))
 OR {  220}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 86   and name HD3 ))
 OR {  220}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 78   and name HD3 ))
 OR {  220}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {  220}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 86   and name HD2 ))
 OR {  220}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {  220}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {  220}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 22   and name HB3 ))
 OR {  220}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 21   and name HD2 ))
 OR {  220}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 13   and name HG  ))
 OR {  220}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 21   and name HD3 ))
 OR {  220}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
 OR {  220}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 84   and name HB2 ))
 OR {  220}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 84   and name HB3 ))
 OR {  220}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 84   and name HG  ))
 OR {  220}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {  220}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 3    and name HB3 ))
 OR {  220}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {  220}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 3    and name HB2 ))
 OR {  220}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {  220}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 3    and name HG  ))
 OR {  220}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 85   and name HG3 ))
 OR {  220}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 18   and name HB2 ))
 OR {  220}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {  220}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 86   and name HD3 ))
 OR {  220}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 86   and name HD2 ))
 OR {  220}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {  220}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {  220}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 22   and name HB3 ))
 OR {  220}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 21   and name HD2 ))
 OR {  220}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 21   and name HD3 ))
 ASSI {  221}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 70   and name HA  ))
      4.200     2.200     1.800 peak   221 spectrum    1 weight  0.10000E+01 volume  0.96614E-03 ppm1      1.877 ppm2      4.143 CV     1
 OR {  221}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 71   and name HA  ))
 OR {  221}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 65   and name HA  ))
 OR {  221}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 72   and name HA  ))
 OR {  221}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 63   and name HA  ))
 OR {  221}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 62   and name HA  ))
 OR {  221}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 75   and name HB  ))
 OR {  221}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 78   and name HA  ))
 OR {  221}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 7    and name HB  ))
 OR {  221}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 1    and name HA  ))
 OR {  221}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 19   and name HB2 ))
 OR {  221}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 24   and name HA  ))
 OR {  221}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 20   and name HA  ))
 ASSI {  223}
   (( segid "    " and resid 25   and name HD3 ))
   (  segid "    " and resid 26   and name HG2%)
      3.500     1.500     1.500 peak   223 spectrum    1 weight  0.10000E+01 volume  0.47641E-02 ppm1      1.676 ppm2      0.718 CV     1
 OR {  223}
   (( segid "    " and resid 25   and name HD3 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  223}
   (( segid "    " and resid 25   and name HD3 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  223}
   (( segid "    " and resid 25   and name HD3 ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  223}
   (( segid "    " and resid 25   and name HD3 ))
   (  segid "    " and resid 22   and name HD2%)
 OR {  223}
   (( segid "    " and resid 25   and name HD3 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  223}
   (( segid "    " and resid 25   and name HD3 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  223}
   (( segid "    " and resid 25   and name HD3 ))
   (  segid "    " and resid 31   and name HD1%)
 OR {  223}
   (( segid "    " and resid 25   and name HD3 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  223}
   (( segid "    " and resid 25   and name HD3 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  223}
   (( segid "    " and resid 25   and name HD3 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  223}
   (( segid "    " and resid 25   and name HD3 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  223}
   (( segid "    " and resid 25   and name HD3 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  223}
   (( segid "    " and resid 25   and name HD3 ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  223}
   (( segid "    " and resid 25   and name HD3 ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  223}
   (( segid "    " and resid 25   and name HD3 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  223}
   (( segid "    " and resid 25   and name HD3 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  223}
   (( segid "    " and resid 25   and name HD3 ))
   (  segid "    " and resid 79   and name HD1%)
 OR {  223}
   (( segid "    " and resid 25   and name HD3 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  223}
   (( segid "    " and resid 25   and name HD3 ))
   (  segid "    " and resid 84   and name HD2%)
 ASSI {  224}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HB3 ))
      1.900     0.500     0.500 peak   224 spectrum    1 weight  0.10000E+01 volume  0.11338E-01 ppm1      1.863 ppm2      1.690 CV     1
 OR {  224}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HG3 ))
 OR {  224}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 70   and name HB2 ))
 OR {  224}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 71   and name HB2 ))
 OR {  224}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 71   and name HB3 ))
 OR {  224}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 77   and name HB2 ))
 OR {  224}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 78   and name HB3 ))
 OR {  224}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 78   and name HB2 ))
 OR {  224}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 56   and name HG3 ))
 OR {  224}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {  224}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 45   and name HB3 ))
 OR {  224}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 85   and name HB3 ))
 OR {  224}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 85   and name HB2 ))
 OR {  224}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 86   and name HB2 ))
 OR {  224}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 33   and name HB3 ))
 OR {  224}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 17   and name HB3 ))
 OR {  224}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 18   and name HG  ))
 OR {  224}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 25   and name HD3 ))
 OR {  224}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 24   and name HG3 ))
 OR {  224}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 21   and name HB3 ))
 OR {  224}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 21   and name HB2 ))
 ASSI {  225}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 25   and name HB2 ))
      3.300     1.400     1.400 peak   225 spectrum    1 weight  0.10000E+01 volume  0.42310E-02 ppm1      1.678 ppm2      1.994 CV     1
 OR {  225}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 25   and name HB3 ))
 OR {  225}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 69   and name HB3 ))
 OR {  225}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 66   and name HB3 ))
 OR {  225}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 66   and name HB2 ))
 OR {  225}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 28   and name HB2 ))
 OR {  225}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 30   and name HB2 ))
 OR {  225}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 17   and name HG3 ))
 OR {  225}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 4    and name HG3 ))
 OR {  225}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {  225}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {  225}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 63   and name HB2 ))
 OR {  225}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 33   and name HB2 ))
 OR {  225}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 12   and name HB3 ))
 OR {  225}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 44   and name HB  ))
 OR {  225}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 59   and name HB2 ))
 OR {  225}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 59   and name HG2 ))
 OR {  225}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 49   and name HB3 ))
 OR {  225}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 57   and name HB3 ))
 OR {  225}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 56   and name HB2 ))
 OR {  225}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 56   and name HB2 ))
 OR {  225}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 49   and name HB3 ))
 OR {  225}
   (( segid "    " and resid 68   and name HB3 ))
   (  segid "    " and resid 83   and name HE% )
 OR {  225}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 57   and name HB3 ))
 OR {  225}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 83   and name HB3 ))
 OR {  225}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 83   and name HB2 ))
 OR {  225}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 59   and name HG2 ))
 OR {  225}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 44   and name HB  ))
 OR {  225}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 59   and name HB2 ))
 OR {  225}
   (( segid "    " and resid 68   and name HB3 ))
   (  segid "    " and resid 87   and name HE% )
 OR {  225}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 87   and name HB3 ))
 OR {  225}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 12   and name HB3 ))
 OR {  225}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 63   and name HB2 ))
 OR {  225}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {  225}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 33   and name HB2 ))
 OR {  225}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 30   and name HB2 ))
 OR {  225}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 4    and name HG3 ))
 OR {  225}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 66   and name HB2 ))
 OR {  225}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 28   and name HB2 ))
 OR {  225}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {  225}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 66   and name HB3 ))
 OR {  225}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 17   and name HG3 ))
 OR {  225}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 25   and name HB3 ))
 OR {  225}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 25   and name HB2 ))
 OR {  225}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 69   and name HB3 ))
 OR {  225}
   (( segid "    " and resid 25   and name HD3 ))
   (  segid "    " and resid 83   and name HE% )
 OR {  225}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 83   and name HB3 ))
 OR {  225}
   (( segid "    " and resid 25   and name HD3 ))
   (  segid "    " and resid 87   and name HE% )
 OR {  225}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 83   and name HB2 ))
 OR {  225}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 87   and name HB3 ))
 ASSI {  226}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 68   and name HA  ))
      2.900     1.000     1.000 peak   226 spectrum    1 weight  0.10000E+01 volume  0.40144E-02 ppm1      1.674 ppm2      3.987 CV     1
 OR {  226}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 69   and name HA  ))
 OR {  226}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 66   and name HA  ))
 OR {  226}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 22   and name HA  ))
 OR {  226}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 36   and name HA3 ))
 OR {  226}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 62   and name HB3 ))
 OR {  226}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 62   and name HB2 ))
 OR {  226}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 74   and name HA3 ))
 OR {  226}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 74   and name HA2 ))
 OR {  226}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 61   and name HA  ))
 OR {  226}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 59   and name HD3 ))
 OR {  226}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 48   and name HA  ))
 OR {  226}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 48   and name HA  ))
 OR {  226}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 59   and name HD3 ))
 OR {  226}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 61   and name HA  ))
 OR {  226}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 62   and name HB2 ))
 OR {  226}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 62   and name HB3 ))
 OR {  226}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 36   and name HA3 ))
 OR {  226}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 66   and name HA  ))
 OR {  226}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 68   and name HA  ))
 OR {  226}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 69   and name HA  ))
 OR {  226}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 22   and name HA  ))
 OR {  226}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 74   and name HA3 ))
 OR {  226}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 74   and name HA2 ))
 ASSI {  227}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 25   and name HA  ))
      3.400     1.500     1.500 peak   227 spectrum    1 weight  0.10000E+01 volume  0.44365E-02 ppm1      1.676 ppm2      4.337 CV     1
 OR {  227}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 19   and name HA  ))
 OR {  227}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 64   and name HA  ))
 OR {  227}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 16   and name HA  ))
 OR {  227}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 2    and name HA  ))
 OR {  227}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 15   and name HA  ))
 OR {  227}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 5    and name HA  ))
 OR {  227}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 33   and name HA  ))
 OR {  227}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 6    and name HA  ))
 OR {  227}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 13   and name HA  ))
 OR {  227}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 8    and name HA  ))
 OR {  227}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 75   and name HA  ))
 OR {  227}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 42   and name HA  ))
 OR {  227}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 11   and name HA  ))
 OR {  227}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 60   and name HA  ))
 OR {  227}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 77   and name HA  ))
 OR {  227}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 55   and name HA  ))
 OR {  227}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 56   and name HA  ))
 OR {  227}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 56   and name HA  ))
 OR {  227}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 55   and name HA  ))
 OR {  227}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 83   and name HA  ))
 OR {  227}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 60   and name HA  ))
 OR {  227}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 42   and name HA  ))
 OR {  227}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 11   and name HA  ))
 OR {  227}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 8    and name HA  ))
 OR {  227}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 13   and name HA  ))
 OR {  227}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 33   and name HA  ))
 OR {  227}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 6    and name HA  ))
 OR {  227}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 64   and name HA  ))
 OR {  227}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 5    and name HA  ))
 OR {  227}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 15   and name HA  ))
 OR {  227}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 16   and name HA  ))
 OR {  227}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 2    and name HA  ))
 OR {  227}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 25   and name HA  ))
 OR {  227}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 19   and name HA  ))
 OR {  227}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 75   and name HA  ))
 OR {  227}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 77   and name HA  ))
 OR {  227}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 83   and name HA  ))
 ASSI {  228}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 26   and name H   ))
      4.500     2.500     1.500 peak   228 spectrum    1 weight  0.10000E+01 volume  0.14547E-02 ppm1      1.676 ppm2      7.194 CV     1
 OR {  228}
   (( segid "    " and resid 68   and name HB3 ))
   (  segid "    " and resid 65   and name HD% )
 OR {  228}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 22   and name H   ))
 OR {  228}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 64   and name HZ2 ))
 OR {  228}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 70   and name HE  ))
 OR {  228}
   (( segid "    " and resid 25   and name HD3 ))
   (  segid "    " and resid 1    and name HD% )
 OR {  228}
   (( segid "    " and resid 25   and name HD3 ))
   (  segid "    " and resid 43   and name HE% )
 OR {  228}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 50   and name H   ))
 OR {  228}
   (( segid "    " and resid 68   and name HB3 ))
   (  segid "    " and resid 81   and name HE% )
 OR {  228}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 50   and name H   ))
 OR {  228}
   (( segid "    " and resid 68   and name HB3 ))
   (  segid "    " and resid 43   and name HE% )
 OR {  228}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 85   and name HE  ))
 OR {  228}
   (( segid "    " and resid 25   and name HD3 ))
   (  segid "    " and resid 65   and name HD% )
 OR {  228}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 64   and name HZ2 ))
 OR {  228}
   (( segid "    " and resid 68   and name HB3 ))
   (  segid "    " and resid 1    and name HD% )
 OR {  228}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 26   and name H   ))
 OR {  228}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 22   and name H   ))
 OR {  228}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 70   and name HE  ))
 OR {  228}
   (( segid "    " and resid 25   and name HD3 ))
   (  segid "    " and resid 81   and name HE% )
 OR {  228}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 85   and name HE  ))
 ASSI {  229}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 69   and name H   ))
      3.100     1.200     1.200 peak   229 spectrum    1 weight  0.10000E+01 volume  0.13770E-02 ppm1      1.865 ppm2      8.320 CV     1
 OR {  229}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 73   and name H   ))
 OR {  229}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 74   and name H   ))
 OR {  229}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 76   and name H   ))
 OR {  229}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 58   and name H   ))
 OR {  229}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 80   and name H   ))
 OR {  229}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 87   and name H   ))
 OR {  229}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 43   and name H   ))
 OR {  229}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 8    and name H   ))
 OR {  229}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 6    and name H   ))
 OR {  229}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 3    and name H   ))
 OR {  229}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 2    and name H   ))
 ASSI {  230}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 69   and name H   ))
      4.500     2.500     1.500 peak   230 spectrum    1 weight  0.10000E+01 volume  0.10772E-02 ppm1      1.673 ppm2      8.340 CV     1
 OR {  230}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 2    and name H   ))
 OR {  230}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 6    and name H   ))
 OR {  230}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 74   and name H   ))
 OR {  230}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 43   and name H   ))
 OR {  230}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 55   and name H   ))
 OR {  230}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 55   and name H   ))
 OR {  230}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 43   and name H   ))
 OR {  230}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 87   and name H   ))
 OR {  230}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 6    and name H   ))
 OR {  230}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 2    and name H   ))
 OR {  230}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 69   and name H   ))
 OR {  230}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 74   and name H   ))
 OR {  230}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 87   and name H   ))
 ASSI {  231}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 68   and name H   ))
      2.600     0.900     0.900 peak   231 spectrum    1 weight  0.10000E+01 volume  0.44697E-02 ppm1      4.448 ppm2      7.914 CV     1
 OR {  231}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name H   ))
 OR {  231}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 63   and name H   ))
 OR {  231}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 88   and name H   ))
 OR {  231}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 32   and name HE21))
 OR {  231}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 21   and name H   ))
 ASSI {  232}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 66   and name HB3 ))
      2.600     0.800     0.800 peak   232 spectrum    1 weight  0.10000E+01 volume  0.15436E-02 ppm1      3.078 ppm2      1.955 CV     1
 OR {  232}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 66   and name HB2 ))
 OR {  232}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 69   and name HB3 ))
 OR {  232}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 69   and name HB2 ))
 OR {  232}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {  232}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 63   and name HB2 ))
 OR {  232}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 59   and name HB2 ))
 OR {  232}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 59   and name HG2 ))
 OR {  232}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 57   and name HB3 ))
 OR {  232}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 47   and name HB3 ))
 OR {  232}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 49   and name HB3 ))
 OR {  232}
   (( segid "    " and resid 67   and name HB3 ))
   (  segid "    " and resid 83   and name HE% )
 OR {  232}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 44   and name HB  ))
 OR {  232}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 83   and name HB2 ))
 OR {  232}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 12   and name HB2 ))
 OR {  232}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 12   and name HB3 ))
 OR {  232}
   (( segid "    " and resid 67   and name HB3 ))
   (  segid "    " and resid 87   and name HE% )
 OR {  232}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 13   and name HB3 ))
 OR {  232}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 33   and name HB2 ))
 OR {  232}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 87   and name HB3 ))
 OR {  232}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 32   and name HB2 ))
 OR {  232}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 5    and name HG2 ))
 OR {  232}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 5    and name HG3 ))
 OR {  232}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 30   and name HB2 ))
 OR {  232}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 4    and name HG3 ))
 OR {  232}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {  232}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 25   and name HB2 ))
 ASSI {  233}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 66   and name HB3 ))
      3.700     1.700     1.700 peak   233 spectrum    1 weight  0.10000E+01 volume  0.10439E-02 ppm1      3.165 ppm2      1.907 CV     1
 OR {  233}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 66   and name HB2 ))
 OR {  233}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 68   and name HB2 ))
 OR {  233}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 68   and name HG2 ))
 OR {  233}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 69   and name HB3 ))
 OR {  233}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 69   and name HB2 ))
 OR {  233}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 63   and name HB2 ))
 OR {  233}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 77   and name HG2 ))
 OR {  233}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 77   and name HG3 ))
 OR {  233}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 57   and name HB3 ))
 OR {  233}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 56   and name HB3 ))
 OR {  233}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 47   and name HB3 ))
 OR {  233}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 49   and name HB3 ))
 OR {  233}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 50   and name HB3 ))
 OR {  233}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 44   and name HB  ))
 OR {  233}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 83   and name HB2 ))
 OR {  233}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 41   and name HG3 ))
 OR {  233}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 12   and name HB2 ))
 OR {  233}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 13   and name HB3 ))
 OR {  233}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 87   and name HB3 ))
 OR {  233}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 32   and name HB2 ))
 OR {  233}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 5    and name HG2 ))
 OR {  233}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 15   and name HB3 ))
 OR {  233}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 5    and name HB3 ))
 OR {  233}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 5    and name HG3 ))
 OR {  233}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 30   and name HB2 ))
 OR {  233}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 28   and name HB3 ))
 OR {  233}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 4    and name HG3 ))
 OR {  233}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 17   and name HG2 ))
 OR {  233}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 25   and name HB2 ))
 OR {  233}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 24   and name HB2 ))
 ASSI {  234}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 66   and name HA  ))
      3.500     1.500     1.500 peak   234 spectrum    1 weight  0.10000E+01 volume  0.14159E-02 ppm1      3.103 ppm2      4.024 CV     1
 OR {  234}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 68   and name HA  ))
 OR {  234}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 74   and name HA2 ))
 OR {  234}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 69   and name HA  ))
 OR {  234}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 69   and name HA  ))
 OR {  234}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 63   and name HA  ))
 OR {  234}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 68   and name HA  ))
 OR {  234}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 61   and name HA  ))
 OR {  234}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 66   and name HA  ))
 OR {  234}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 74   and name HA2 ))
 OR {  234}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 59   and name HD3 ))
 OR {  234}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 63   and name HA  ))
 OR {  234}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 61   and name HA  ))
 OR {  234}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 48   and name HA  ))
 OR {  234}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 59   and name HD3 ))
 OR {  234}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 48   and name HA  ))
 OR {  234}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 36   and name HA3 ))
 OR {  234}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 36   and name HA3 ))
 OR {  234}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 22   and name HA  ))
 OR {  234}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 22   and name HA  ))
 ASSI {  235}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 72   and name HA  ))
      3.600     1.600     1.600 peak   235 spectrum    1 weight  0.10000E+01 volume  0.11438E-02 ppm1      3.099 ppm2      4.165 CV     1
 OR {  235}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 71   and name HA  ))
 OR {  235}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 65   and name HA  ))
 OR {  235}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 75   and name HB  ))
 OR {  235}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 70   and name HA  ))
 OR {  235}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 70   and name HA  ))
 OR {  235}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 71   and name HA  ))
 OR {  235}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 78   and name HA  ))
 OR {  235}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 62   and name HA  ))
 OR {  235}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 72   and name HA  ))
 OR {  235}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 65   and name HA  ))
 OR {  235}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 75   and name HB  ))
 OR {  235}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 62   and name HA  ))
 OR {  235}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 78   and name HA  ))
 OR {  235}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 11   and name HB  ))
 OR {  235}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 7    and name HB  ))
 OR {  235}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 37   and name HA  ))
 OR {  235}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 11   and name HB  ))
 OR {  235}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 1    and name HA  ))
 OR {  235}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 19   and name HB2 ))
 OR {  235}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 7    and name HB  ))
 OR {  235}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 24   and name HA  ))
 OR {  235}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 20   and name HA  ))
 OR {  235}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 37   and name HA  ))
 OR {  235}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 1    and name HA  ))
 OR {  235}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 19   and name HB2 ))
 OR {  235}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 24   and name HA  ))
 OR {  235}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 20   and name HA  ))
 ASSI {  236}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 67   and name HB3 ))
      3.400     1.500     1.500 peak   236 spectrum    1 weight  0.10000E+01 volume  0.13770E-02 ppm1      4.032 ppm2      3.143 CV     1
 OR {  236}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 67   and name HB2 ))
 OR {  236}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 65   and name HB2 ))
 OR {  236}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 64   and name HB2 ))
 OR {  236}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 73   and name HB2 ))
 OR {  236}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 73   and name HB3 ))
 OR {  236}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 46   and name HB2 ))
 OR {  236}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 81   and name HB2 ))
 OR {  236}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 38   and name HB3 ))
 OR {  236}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 39   and name HB2 ))
 OR {  236}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
 OR {  236}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 85   and name HD3 ))
 OR {  236}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 14   and name HB3 ))
 OR {  236}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 85   and name HD2 ))
 OR {  236}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 1    and name HB3 ))
 OR {  236}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 24   and name HD3 ))
 OR {  236}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 24   and name HD2 ))
 ASSI {  237}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 66   and name HB3 ))
      2.200     0.600     0.600 peak   237 spectrum    1 weight  0.10000E+01 volume  0.14970E-01 ppm1      2.272 ppm2      1.962 CV     1
 OR {  237}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 66   and name HB2 ))
 OR {  237}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 69   and name HB3 ))
 OR {  237}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 69   and name HB2 ))
 OR {  237}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {  237}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 63   and name HB2 ))
 OR {  237}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 59   and name HB2 ))
 OR {  237}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 59   and name HG2 ))
 OR {  237}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 57   and name HB3 ))
 OR {  237}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 47   and name HB3 ))
 OR {  237}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 49   and name HB3 ))
 OR {  237}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 44   and name HB  ))
 OR {  237}
   (( segid "    " and resid 66   and name HG3 ))
   (  segid "    " and resid 83   and name HE% )
 OR {  237}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 83   and name HB3 ))
 OR {  237}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 83   and name HB2 ))
 OR {  237}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 12   and name HB2 ))
 OR {  237}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 12   and name HB3 ))
 OR {  237}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 13   and name HB3 ))
 OR {  237}
   (( segid "    " and resid 66   and name HG3 ))
   (  segid "    " and resid 87   and name HE% )
 OR {  237}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 33   and name HB2 ))
 OR {  237}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 32   and name HB2 ))
 OR {  237}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 87   and name HB3 ))
 OR {  237}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 5    and name HG2 ))
 OR {  237}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 30   and name HB2 ))
 OR {  237}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 5    and name HG3 ))
 OR {  237}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 4    and name HG3 ))
 OR {  237}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {  237}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 25   and name HB2 ))
 ASSI {  239}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 67   and name HB3 ))
      4.400     2.400     1.600 peak   239 spectrum    1 weight  0.10000E+01 volume  0.13326E-02 ppm1      2.135 ppm2      3.087 CV     1
 OR {  239}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 65   and name HB2 ))
 OR {  239}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 70   and name HD3 ))
 OR {  239}
   (( segid "    " and resid 30   and name HG3 ))
   (( segid "    " and resid 14   and name HB2 ))
 OR {  239}
   (( segid "    " and resid 30   and name HG3 ))
   (( segid "    " and resid 14   and name HB3 ))
 OR {  239}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 64   and name HB2 ))
 OR {  239}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 70   and name HD2 ))
 OR {  239}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 67   and name HB3 ))
 OR {  239}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 64   and name HB3 ))
 OR {  239}
   (( segid "    " and resid 30   and name HG3 ))
   (( segid "    " and resid 24   and name HD3 ))
 OR {  239}
   (( segid "    " and resid 30   and name HG3 ))
   (( segid "    " and resid 24   and name HD2 ))
 OR {  239}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 73   and name HB2 ))
 OR {  239}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 65   and name HB2 ))
 OR {  239}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 70   and name HD2 ))
 OR {  239}
   (( segid "    " and resid 30   and name HG3 ))
   (( segid "    " and resid 1    and name HB3 ))
 OR {  239}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 70   and name HD3 ))
 OR {  239}
   (( segid "    " and resid 30   and name HG3 ))
   (( segid "    " and resid 1    and name HB2 ))
 OR {  239}
   (( segid "    " and resid 30   and name HG3 ))
   (( segid "    " and resid 39   and name HB2 ))
 OR {  239}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 64   and name HB2 ))
 OR {  239}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 64   and name HB3 ))
 OR {  239}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 73   and name HB2 ))
 OR {  239}
   (( segid "    " and resid 30   and name HG3 ))
   (( segid "    " and resid 50   and name HD3 ))
 OR {  239}
   (( segid "    " and resid 30   and name HG3 ))
   (( segid "    " and resid 50   and name HD2 ))
 OR {  239}
   (( segid "    " and resid 30   and name HG3 ))
   (( segid "    " and resid 46   and name HB3 ))
 OR {  239}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 58   and name HB3 ))
 OR {  239}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 58   and name HB3 ))
 OR {  239}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 81   and name HB2 ))
 OR {  239}
   (( segid "    " and resid 30   and name HG3 ))
   (( segid "    " and resid 58   and name HB3 ))
 OR {  239}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 50   and name HD2 ))
 OR {  239}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 46   and name HB3 ))
 OR {  239}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 50   and name HD3 ))
 OR {  239}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 81   and name HB2 ))
 OR {  239}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 50   and name HD2 ))
 OR {  239}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 46   and name HB3 ))
 OR {  239}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 85   and name HD3 ))
 OR {  239}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 50   and name HD3 ))
 OR {  239}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 85   and name HD2 ))
 OR {  239}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 39   and name HB2 ))
 OR {  239}
   (( segid "    " and resid 30   and name HG3 ))
   (( segid "    " and resid 64   and name HB3 ))
 OR {  239}
   (( segid "    " and resid 30   and name HG3 ))
   (( segid "    " and resid 64   and name HB2 ))
 OR {  239}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 85   and name HD3 ))
 OR {  239}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 85   and name HD2 ))
 OR {  239}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 14   and name HB2 ))
 OR {  239}
   (( segid "    " and resid 30   and name HG3 ))
   (( segid "    " and resid 65   and name HB2 ))
 OR {  239}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 14   and name HB3 ))
 OR {  239}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 39   and name HB2 ))
 OR {  239}
   (( segid "    " and resid 30   and name HG3 ))
   (( segid "    " and resid 67   and name HB3 ))
 OR {  239}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 14   and name HB2 ))
 OR {  239}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 14   and name HB3 ))
 OR {  239}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 1    and name HB3 ))
 OR {  239}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 1    and name HB2 ))
 OR {  239}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 24   and name HD3 ))
 OR {  239}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 24   and name HD2 ))
 OR {  239}
   (( segid "    " and resid 30   and name HG3 ))
   (( segid "    " and resid 70   and name HD2 ))
 OR {  239}
   (( segid "    " and resid 30   and name HG3 ))
   (( segid "    " and resid 70   and name HD3 ))
 OR {  239}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 1    and name HB3 ))
 OR {  239}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 1    and name HB2 ))
 OR {  239}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 24   and name HD3 ))
 OR {  239}
   (( segid "    " and resid 30   and name HG3 ))
   (( segid "    " and resid 73   and name HB2 ))
 OR {  239}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 24   and name HD2 ))
 OR {  239}
   (( segid "    " and resid 30   and name HG3 ))
   (( segid "    " and resid 81   and name HB2 ))
 OR {  239}
   (( segid "    " and resid 30   and name HG3 ))
   (( segid "    " and resid 85   and name HD3 ))
 OR {  239}
   (( segid "    " and resid 30   and name HG3 ))
   (( segid "    " and resid 85   and name HD2 ))
 ASSI {  240}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 67   and name HB3 ))
      4.000     2.000     2.000 peak   240 spectrum    1 weight  0.10000E+01 volume  0.93282E-03 ppm1      2.274 ppm2      3.067 CV     1
 OR {  240}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 65   and name HB3 ))
 OR {  240}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 64   and name HB2 ))
 OR {  240}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 64   and name HB3 ))
 OR {  240}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 70   and name HD2 ))
 OR {  240}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 70   and name HD3 ))
 OR {  240}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 73   and name HB2 ))
 OR {  240}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 58   and name HB3 ))
 OR {  240}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 50   and name HD2 ))
 OR {  240}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 46   and name HB3 ))
 OR {  240}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 50   and name HD3 ))
 OR {  240}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 81   and name HB2 ))
 OR {  240}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 39   and name HB2 ))
 OR {  240}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 85   and name HD3 ))
 OR {  240}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 85   and name HD2 ))
 OR {  240}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 14   and name HB2 ))
 OR {  240}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 14   and name HB3 ))
 OR {  240}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 1    and name HB3 ))
 OR {  240}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 1    and name HB2 ))
 OR {  240}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 24   and name HD3 ))
 ASSI {  241}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 67   and name HB3 ))
      3.300     1.400     1.400 peak   241 spectrum    1 weight  0.10000E+01 volume  0.17935E-02 ppm1      1.987 ppm2      3.082 CV     1
 OR {  241}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 65   and name HB2 ))
 OR {  241}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 64   and name HB2 ))
 OR {  241}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 67   and name HB3 ))
 OR {  241}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 70   and name HD3 ))
 OR {  241}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 64   and name HB3 ))
 OR {  241}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 70   and name HD2 ))
 OR {  241}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 65   and name HB2 ))
 OR {  241}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 73   and name HB2 ))
 OR {  241}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 70   and name HD3 ))
 OR {  241}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 70   and name HD2 ))
 OR {  241}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 64   and name HB2 ))
 OR {  241}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 64   and name HB3 ))
 OR {  241}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 73   and name HB2 ))
 OR {  241}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 58   and name HB3 ))
 OR {  241}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 58   and name HB3 ))
 OR {  241}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 81   and name HB2 ))
 OR {  241}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 50   and name HD2 ))
 OR {  241}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 46   and name HB3 ))
 OR {  241}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 50   and name HD3 ))
 OR {  241}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 81   and name HB2 ))
 OR {  241}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 50   and name HD2 ))
 OR {  241}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 46   and name HB3 ))
 OR {  241}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 50   and name HD3 ))
 OR {  241}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 85   and name HD3 ))
 OR {  241}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 85   and name HD2 ))
 OR {  241}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 39   and name HB2 ))
 OR {  241}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 14   and name HB2 ))
 OR {  241}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 14   and name HB3 ))
 OR {  241}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 85   and name HD3 ))
 OR {  241}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 85   and name HD2 ))
 OR {  241}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 39   and name HB2 ))
 OR {  241}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 14   and name HB2 ))
 OR {  241}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 14   and name HB3 ))
 OR {  241}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 1    and name HB3 ))
 OR {  241}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 1    and name HB2 ))
 OR {  241}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 24   and name HD3 ))
 OR {  241}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 1    and name HB3 ))
 OR {  241}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 1    and name HB2 ))
 OR {  241}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 24   and name HD3 ))
 ASSI {  242}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HB2 ))
      2.600     0.900     0.900 peak   242 spectrum    1 weight  0.10000E+01 volume  0.32038E-02 ppm1      4.282 ppm2      3.102 CV     1
 OR {  242}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 65   and name HB2 ))
 OR {  242}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HB3 ))
 OR {  242}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HB2 ))
 OR {  242}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 58   and name HB3 ))
 OR {  242}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 70   and name HD2 ))
 OR {  242}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 70   and name HD3 ))
 OR {  242}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 73   and name HB2 ))
 OR {  242}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 50   and name HD2 ))
 OR {  242}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 46   and name HB3 ))
 OR {  242}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 46   and name HB2 ))
 OR {  242}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 50   and name HD3 ))
 OR {  242}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 38   and name HB3 ))
 OR {  242}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 39   and name HB2 ))
 OR {  242}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
 OR {  242}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 81   and name HB2 ))
 OR {  242}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 14   and name HB3 ))
 OR {  242}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 85   and name HD3 ))
 OR {  242}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 1    and name HB3 ))
 OR {  242}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 85   and name HD2 ))
 OR {  242}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 1    and name HB2 ))
 OR {  242}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 24   and name HD3 ))
 OR {  242}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 24   and name HD2 ))
 ASSI {  243}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB2 ))
      2.200     0.600     0.600 peak   243 spectrum    1 weight  0.10000E+01 volume  0.15180E-01 ppm1      4.077 ppm2      1.965 CV     1
 OR {  243}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {  243}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 66   and name HB2 ))
 OR {  243}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 66   and name HB3 ))
 OR {  243}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 59   and name HB2 ))
 OR {  243}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 59   and name HG2 ))
 OR {  243}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 69   and name HB3 ))
 OR {  243}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 57   and name HB3 ))
 OR {  243}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 69   and name HB2 ))
 OR {  243}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 47   and name HB3 ))
 OR {  243}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 49   and name HB3 ))
 OR {  243}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 44   and name HB  ))
 OR {  243}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
 OR {  243}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 12   and name HB3 ))
 OR {  243}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 13   and name HB3 ))
 OR {  243}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 33   and name HB2 ))
 OR {  243}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 32   and name HB2 ))
 OR {  243}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 5    and name HG2 ))
 OR {  243}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 5    and name HG3 ))
 OR {  243}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
 OR {  243}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 4    and name HG3 ))
 OR {  243}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {  243}
   (( segid "    " and resid 63   and name HA  ))
   (  segid "    " and resid 83   and name HE% )
 OR {  243}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 83   and name HB3 ))
 OR {  243}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 83   and name HB2 ))
 OR {  243}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
 OR {  243}
   (( segid "    " and resid 63   and name HA  ))
   (  segid "    " and resid 87   and name HE% )
 OR {  243}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 87   and name HB3 ))
 ASSI {  244}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 64   and name HB2 ))
      4.300     2.300     1.700 peak   244 spectrum    1 weight  0.10000E+01 volume  0.10272E-02 ppm1      4.077 ppm2      3.123 CV     1
 OR {  244}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 65   and name HB2 ))
 OR {  244}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 67   and name HB3 ))
 OR {  244}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 67   and name HB2 ))
 OR {  244}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 58   and name HB3 ))
 OR {  244}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 70   and name HD2 ))
 OR {  244}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 70   and name HD3 ))
 OR {  244}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 50   and name HD3 ))
 OR {  244}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 46   and name HB2 ))
 OR {  244}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 73   and name HB2 ))
 OR {  244}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 38   and name HB3 ))
 OR {  244}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 39   and name HB2 ))
 OR {  244}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
 OR {  244}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 14   and name HB3 ))
 OR {  244}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 81   and name HB2 ))
 OR {  244}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 1    and name HB3 ))
 OR {  244}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 24   and name HD3 ))
 OR {  244}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 24   and name HD2 ))
 OR {  244}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 85   and name HD3 ))
 OR {  244}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 85   and name HD2 ))
 ASSI {  245}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 65   and name HD% )
      3.200     1.300     1.300 peak   245 spectrum    1 weight  0.10000E+01 volume  0.14714E-02 ppm1      4.114 ppm2      7.157 CV     1
 OR {  245}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 64   and name HZ2 ))
 OR {  245}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 58   and name HD22))
 OR {  245}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 50   and name HE  ))
 OR {  245}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 70   and name HE  ))
 OR {  245}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 43   and name HE% )
 OR {  245}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 73   and name HD2 ))
 OR {  245}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 39   and name HD2 ))
 OR {  245}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 81   and name HD% )
 OR {  245}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 1    and name HD% )
 OR {  245}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 81   and name HE% )
 OR {  245}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 26   and name H   ))
 OR {  245}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 85   and name HE  ))
 ASSI {  246}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 63   and name HB2 ))
      3.700     1.700     1.700 peak   246 spectrum    1 weight  0.10000E+01 volume  0.23099E-02 ppm1      3.931 ppm2      1.986 CV     1
 OR {  246}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 63   and name HB2 ))
 OR {  246}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {  246}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {  246}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 59   and name HB2 ))
 OR {  246}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 59   and name HB2 ))
 OR {  246}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 59   and name HG2 ))
 OR {  246}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 59   and name HG2 ))
 OR {  246}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 66   and name HB2 ))
 OR {  246}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 66   and name HB3 ))
 OR {  246}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 66   and name HB2 ))
 OR {  246}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 66   and name HB3 ))
 OR {  246}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 57   and name HB3 ))
 OR {  246}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 57   and name HB3 ))
 OR {  246}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 69   and name HB3 ))
 OR {  246}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 69   and name HB3 ))
 OR {  246}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 69   and name HB2 ))
 OR {  246}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 69   and name HB2 ))
 OR {  246}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 49   and name HB3 ))
 OR {  246}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 49   and name HB3 ))
 OR {  246}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 44   and name HB  ))
 OR {  246}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 44   and name HB  ))
 OR {  246}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 12   and name HB3 ))
 OR {  246}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 12   and name HB3 ))
 OR {  246}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 13   and name HB3 ))
 OR {  246}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 13   and name HB3 ))
 OR {  246}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 33   and name HB2 ))
 OR {  246}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 33   and name HB2 ))
 OR {  246}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 5    and name HG2 ))
 OR {  246}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 5    and name HG2 ))
 OR {  246}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 5    and name HG3 ))
 OR {  246}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 30   and name HB2 ))
 OR {  246}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 5    and name HG3 ))
 OR {  246}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 30   and name HB2 ))
 OR {  246}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 4    and name HG3 ))
 OR {  246}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {  246}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 4    and name HG3 ))
 OR {  246}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 28   and name HB2 ))
 OR {  246}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {  246}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 28   and name HB2 ))
 OR {  246}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 17   and name HG3 ))
 OR {  246}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 17   and name HG3 ))
 OR {  246}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 25   and name HB3 ))
 OR {  246}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 25   and name HB3 ))
 OR {  246}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 25   and name HB2 ))
 OR {  246}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 25   and name HB2 ))
 OR {  246}
   (( segid "    " and resid 62   and name HB3 ))
   (  segid "    " and resid 83   and name HE% )
 OR {  246}
   (( segid "    " and resid 62   and name HB2 ))
   (  segid "    " and resid 83   and name HE% )
 OR {  246}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 83   and name HB3 ))
 OR {  246}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 83   and name HB3 ))
 OR {  246}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 83   and name HB2 ))
 OR {  246}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 83   and name HB2 ))
 OR {  246}
   (( segid "    " and resid 62   and name HB3 ))
   (  segid "    " and resid 87   and name HE% )
 OR {  246}
   (( segid "    " and resid 62   and name HB2 ))
   (  segid "    " and resid 87   and name HE% )
 OR {  246}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 87   and name HB3 ))
 OR {  246}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 87   and name HB3 ))
 ASSI {  247}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 63   and name HG2 ))
      4.100     2.100     1.900 peak   247 spectrum    1 weight  0.10000E+01 volume  0.16324E-02 ppm1      3.928 ppm2      2.246 CV     1
 OR {  247}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 63   and name HG3 ))
 OR {  247}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 63   and name HG2 ))
 OR {  247}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 63   and name HG3 ))
 OR {  247}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 66   and name HG3 ))
 OR {  247}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 66   and name HG3 ))
 OR {  247}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 69   and name HG3 ))
 OR {  247}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 49   and name HG2 ))
 OR {  247}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 69   and name HG3 ))
 OR {  247}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 49   and name HG3 ))
 OR {  247}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 49   and name HG2 ))
 OR {  247}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 49   and name HB2 ))
 OR {  247}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 49   and name HG3 ))
 OR {  247}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 49   and name HB2 ))
 OR {  247}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 54   and name HB  ))
 OR {  247}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 54   and name HB  ))
 OR {  247}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 41   and name HG2 ))
 OR {  247}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 41   and name HG2 ))
 OR {  247}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 12   and name HG2 ))
 OR {  247}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 12   and name HG2 ))
 OR {  247}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 12   and name HG3 ))
 OR {  247}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 12   and name HG3 ))
 OR {  247}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 33   and name HG2 ))
 OR {  247}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 33   and name HG2 ))
 OR {  247}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 32   and name HG2 ))
 OR {  247}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 32   and name HG2 ))
 OR {  247}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 5    and name HB2 ))
 OR {  247}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 5    and name HB2 ))
 OR {  247}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 30   and name HG2 ))
 OR {  247}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 4    and name HB3 ))
 OR {  247}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 30   and name HG2 ))
 OR {  247}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 4    and name HB3 ))
 OR {  247}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 28   and name HG2 ))
 OR {  247}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 28   and name HG2 ))
 OR {  247}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 17   and name HB2 ))
 OR {  247}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 17   and name HB2 ))
 ASSI {  248}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 58   and name HA  ))
      2.100     0.600     0.600 peak   248 spectrum    1 weight  0.10000E+01 volume  0.19378E-02 ppm1      3.922 ppm2      4.732 CV     1
 OR {  248}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 58   and name HA  ))
 OR {  248}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 58   and name HA  ))
 OR {  248}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 54   and name HA  ))
 OR {  248}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 54   and name HA  ))
 OR {  248}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 54   and name HA  ))
 OR {  248}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 28   and name HA  ))
 OR {  248}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 28   and name HA  ))
 OR {  248}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 28   and name HA  ))
 ASSI {  249}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 64   and name HZ2 ))
      3.200     1.300     1.300 peak   249 spectrum    1 weight  0.10000E+01 volume  0.12715E-02 ppm1      3.932 ppm2      7.154 CV     1
 OR {  249}
   (( segid "    " and resid 62   and name HB3 ))
   (  segid "    " and resid 65   and name HD% )
 OR {  249}
   (( segid "    " and resid 62   and name HB2 ))
   (  segid "    " and resid 65   and name HD% )
 OR {  249}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 64   and name HZ2 ))
 OR {  249}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 58   and name HD22))
 OR {  249}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 58   and name HD22))
 OR {  249}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 50   and name HE  ))
 OR {  249}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 50   and name HE  ))
 OR {  249}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 70   and name HE  ))
 OR {  249}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 70   and name HE  ))
 OR {  249}
   (( segid "    " and resid 62   and name HB2 ))
   (  segid "    " and resid 43   and name HE% )
 OR {  249}
   (( segid "    " and resid 62   and name HB3 ))
   (  segid "    " and resid 43   and name HE% )
 OR {  249}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 73   and name HD2 ))
 OR {  249}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 73   and name HD2 ))
 OR {  249}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 39   and name HD2 ))
 OR {  249}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 39   and name HD2 ))
 OR {  249}
   (( segid "    " and resid 62   and name HB3 ))
   (  segid "    " and resid 81   and name HD% )
 OR {  249}
   (( segid "    " and resid 62   and name HB2 ))
   (  segid "    " and resid 1    and name HD% )
 OR {  249}
   (( segid "    " and resid 62   and name HB2 ))
   (  segid "    " and resid 81   and name HD% )
 OR {  249}
   (( segid "    " and resid 62   and name HB3 ))
   (  segid "    " and resid 1    and name HD% )
 OR {  249}
   (( segid "    " and resid 62   and name HB3 ))
   (  segid "    " and resid 81   and name HE% )
 OR {  249}
   (( segid "    " and resid 62   and name HB2 ))
   (  segid "    " and resid 81   and name HE% )
 OR {  249}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 26   and name H   ))
 OR {  249}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 26   and name H   ))
 OR {  249}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 85   and name HE  ))
 OR {  249}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 85   and name HE  ))
 ASSI {  250}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 60   and name HA  ))
      3.000     1.200     1.200 peak   250 spectrum    1 weight  0.10000E+01 volume  0.35703E-02 ppm1      3.906 ppm2      4.352 CV     1
 OR {  250}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 59   and name HA  ))
 OR {  250}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 56   and name HA  ))
 OR {  250}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 55   and name HA  ))
 OR {  250}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 42   and name HA  ))
 OR {  250}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 11   and name HA  ))
 OR {  250}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 40   and name HA  ))
 OR {  250}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 8    and name HA  ))
 OR {  250}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 13   and name HA  ))
 OR {  250}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 33   and name HA  ))
 OR {  250}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 6    and name HA  ))
 OR {  250}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 5    and name HA  ))
 OR {  250}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 15   and name HA  ))
 OR {  250}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 16   and name HA  ))
 OR {  250}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 75   and name HA  ))
 OR {  250}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 2    and name HA  ))
 OR {  250}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 25   and name HA  ))
 OR {  250}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 19   and name HA  ))
 OR {  250}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 77   and name HA  ))
 OR {  250}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 83   and name HA  ))
 ASSI {  251}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 42   and name HB% )
      2.300     0.700     0.700 peak   251 spectrum    1 weight  0.10000E+01 volume  0.11549E-02 ppm1      3.991 ppm2      1.049 CV     1
 OR {  251}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 11   and name HG2%)
 OR {  251}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 27   and name HG13))
 ASSI {  252}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HA  ))
      2.800     1.000     1.000 peak   252 spectrum    1 weight  0.10000E+01 volume  0.21765E-02 ppm1      1.387 ppm2      4.007 CV     1
 OR {  252}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 59   and name HD3 ))
 OR {  252}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 66   and name HA  ))
 OR {  252}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 48   and name HA  ))
 OR {  252}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 68   and name HA  ))
 OR {  252}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 69   and name HA  ))
 OR {  252}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 36   and name HA3 ))
 OR {  252}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 74   and name HA2 ))
 OR {  252}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 22   and name HA  ))
 ASSI {  253}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 57   and name H   ))
      1.600     0.300     0.600 peak   253 spectrum    1 weight  0.10000E+01 volume  0.10006E-01 ppm1      0.467 ppm2      0.602 CV     1
 OR {  253}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 45   and name HD1%)
 OR {  253}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 45   and name HD2%)
 OR {  253}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 52   and name HG2%)
 OR {  253}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 13   and name HD2%)
 OR {  253}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 31   and name HD1%)
 OR {  253}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 22   and name HD2%)
 ASSI {  254}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 54   and name HD1%)
      1.600     0.300     0.600 peak   254 spectrum    1 weight  0.10000E+01 volume  0.82509E-02 ppm1      0.472 ppm2      0.790 CV     1
 OR {  254}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 44   and name HG2%)
 OR {  254}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 72   and name HD2%)
 OR {  254}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 52   and name HG13))
 OR {  254}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 72   and name HD1%)
 OR {  254}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 40   and name HD2%)
 OR {  254}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 40   and name HD1%)
 OR {  254}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 76   and name HD2%)
 OR {  254}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 29   and name HG1%)
 OR {  254}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 76   and name HD1%)
 OR {  254}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 3    and name HD2%)
 OR {  254}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 3    and name HD1%)
 OR {  254}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 26   and name HG1%)
 OR {  254}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 27   and name HD1%)
 OR {  254}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 2    and name HD1%)
 OR {  254}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 79   and name HD2%)
 OR {  254}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 2    and name HD2%)
 OR {  254}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 18   and name HD2%)
 OR {  254}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 22   and name HD1%)
 OR {  254}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 84   and name HD2%)
 OR {  254}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 84   and name HD1%)
 OR {  254}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 23   and name HB3 ))
 ASSI {  255}
   (  segid "    " and resid 23   and name HD1%)
   (  segid "    " and resid 22   and name HD2%)
      1.600     0.300     0.600 peak   255 spectrum    1 weight  0.10000E+01 volume  0.95337E-02 ppm1      0.474 ppm2      0.707 CV     1
 OR {  255}
   (  segid "    " and resid 23   and name HD1%)
   (  segid "    " and resid 22   and name HD1%)
 OR {  255}
   (  segid "    " and resid 23   and name HD1%)
   (  segid "    " and resid 18   and name HD2%)
 OR {  255}
   (  segid "    " and resid 23   and name HD1%)
   (  segid "    " and resid 18   and name HD1%)
 OR {  255}
   (  segid "    " and resid 23   and name HD1%)
   (  segid "    " and resid 26   and name HG2%)
 OR {  255}
   (  segid "    " and resid 23   and name HD1%)
   (  segid "    " and resid 27   and name HD1%)
 OR {  255}
   (  segid "    " and resid 23   and name HD1%)
   (  segid "    " and resid 29   and name HG1%)
 OR {  255}
   (  segid "    " and resid 23   and name HD1%)
   (  segid "    " and resid 31   and name HD1%)
 OR {  255}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 47   and name HD2%)
 OR {  255}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 47   and name HD1%)
 OR {  255}
   (  segid "    " and resid 23   and name HD1%)
   (  segid "    " and resid 40   and name HD2%)
 OR {  255}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 44   and name HG2%)
 OR {  255}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 52   and name HG2%)
 OR {  255}
   (  segid "    " and resid 23   and name HD1%)
   (  segid "    " and resid 52   and name HG2%)
 OR {  255}
   (  segid "    " and resid 23   and name HD1%)
   (  segid "    " and resid 44   and name HG2%)
 OR {  255}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 72   and name HD1%)
 OR {  255}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 40   and name HD2%)
 OR {  255}
   (  segid "    " and resid 23   and name HD1%)
   (  segid "    " and resid 47   and name HD1%)
 OR {  255}
   (  segid "    " and resid 23   and name HD1%)
   (  segid "    " and resid 47   and name HD2%)
 OR {  255}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 31   and name HD1%)
 OR {  255}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 29   and name HG1%)
 OR {  255}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 79   and name HD1%)
 OR {  255}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 27   and name HD1%)
 OR {  255}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 26   and name HG2%)
 OR {  255}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 79   and name HD2%)
 OR {  255}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 18   and name HD2%)
 OR {  255}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 18   and name HD1%)
 OR {  255}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 22   and name HD1%)
 OR {  255}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 22   and name HD2%)
 OR {  255}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 84   and name HD2%)
 OR {  255}
   (  segid "    " and resid 23   and name HD1%)
   (  segid "    " and resid 72   and name HD1%)
 OR {  255}
   (  segid "    " and resid 23   and name HD1%)
   (  segid "    " and resid 79   and name HD1%)
 OR {  255}
   (  segid "    " and resid 23   and name HD1%)
   (  segid "    " and resid 79   and name HD2%)
 OR {  255}
   (  segid "    " and resid 23   and name HD1%)
   (  segid "    " and resid 84   and name HD2%)
 ASSI {  256}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 63   and name HG3 ))
      3.700     1.700     1.700 peak   256 spectrum    1 weight  0.10000E+01 volume  0.10938E-02 ppm1      0.465 ppm2      2.223 CV     1
 OR {  256}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 63   and name HG2 ))
 OR {  256}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 66   and name HG3 ))
 OR {  256}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 49   and name HG2 ))
 OR {  256}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 49   and name HB2 ))
 OR {  256}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 49   and name HG3 ))
 OR {  256}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 69   and name HG3 ))
 OR {  256}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 54   and name HB  ))
 OR {  256}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 12   and name HG2 ))
 OR {  256}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 12   and name HG3 ))
 OR {  256}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 33   and name HG2 ))
 OR {  256}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 32   and name HG2 ))
 OR {  256}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 5    and name HB2 ))
 OR {  256}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 77   and name HB3 ))
 OR {  256}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 4    and name HB3 ))
 OR {  256}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 30   and name HG2 ))
 OR {  256}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 28   and name HG2 ))
 OR {  256}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 28   and name HG3 ))
 OR {  256}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 17   and name HB2 ))
 OR {  256}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 26   and name HB  ))
 ASSI {  257}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 65   and name HD% )
      1.900     0.500     0.500 peak   257 spectrum    1 weight  0.10000E+01 volume  0.31816E-02 ppm1      0.468 ppm2      7.171 CV     1
 OR {  257}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 58   and name HD22))
 OR {  257}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 64   and name HZ2 ))
 OR {  257}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 43   and name HE% )
 OR {  257}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 70   and name HE  ))
 OR {  257}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 73   and name HD2 ))
 OR {  257}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 1    and name HD% )
 OR {  257}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 81   and name HE% )
 OR {  257}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 26   and name H   ))
 OR {  257}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 22   and name H   ))
 OR {  257}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 85   and name HE  ))
 ASSI {  258}
   (  segid "    " and resid 61   and name HD2%)
   (  segid "    " and resid 65   and name HD% )
      2.000     0.500     0.500 peak   258 spectrum    1 weight  0.10000E+01 volume  0.29040E-02 ppm1      0.358 ppm2      7.167 CV     1
 OR {  258}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 58   and name HD22))
 OR {  258}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 64   and name HZ2 ))
 OR {  258}
   (  segid "    " and resid 61   and name HD2%)
   (  segid "    " and resid 43   and name HE% )
 OR {  258}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 70   and name HE  ))
 OR {  258}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 73   and name HD2 ))
 OR {  258}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 39   and name HD2 ))
 OR {  258}
   (  segid "    " and resid 61   and name HD2%)
   (  segid "    " and resid 1    and name HD% )
 OR {  258}
   (  segid "    " and resid 61   and name HD2%)
   (  segid "    " and resid 81   and name HD% )
 OR {  258}
   (  segid "    " and resid 61   and name HD2%)
   (  segid "    " and resid 81   and name HE% )
 OR {  258}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 26   and name H   ))
 OR {  258}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 22   and name H   ))
 OR {  258}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 85   and name HE  ))
 ASSI {  259}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 60   and name HA  ))
      2.500     0.800     0.800 peak   259 spectrum    1 weight  0.10000E+01 volume  0.14270E-02 ppm1      0.359 ppm2      4.340 CV     1
 OR {  259}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 64   and name HA  ))
 OR {  259}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 56   and name HA  ))
 OR {  259}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 55   and name HA  ))
 OR {  259}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 42   and name HA  ))
 OR {  259}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 11   and name HA  ))
 OR {  259}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 8    and name HA  ))
 OR {  259}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 13   and name HA  ))
 OR {  259}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 33   and name HA  ))
 OR {  259}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 75   and name HA  ))
 OR {  259}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 6    and name HA  ))
 OR {  259}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 5    and name HA  ))
 OR {  259}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 15   and name HA  ))
 OR {  259}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 77   and name HA  ))
 OR {  259}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 16   and name HA  ))
 OR {  259}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 2    and name HA  ))
 OR {  259}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 25   and name HA  ))
 OR {  259}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 19   and name HA  ))
 OR {  259}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 83   and name HA  ))
 ASSI {  260}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 63   and name HG3 ))
      3.900     1.900     1.900 peak   260 spectrum    1 weight  0.10000E+01 volume  0.11549E-02 ppm1      0.358 ppm2      2.211 CV     1
 OR {  260}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 63   and name HG2 ))
 OR {  260}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 66   and name HG3 ))
 OR {  260}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 49   and name HG2 ))
 OR {  260}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 49   and name HB2 ))
 OR {  260}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 49   and name HG3 ))
 OR {  260}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 54   and name HB  ))
 OR {  260}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 69   and name HG2 ))
 OR {  260}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 69   and name HG3 ))
 OR {  260}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 12   and name HG2 ))
 OR {  260}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 12   and name HG3 ))
 OR {  260}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 33   and name HG2 ))
 OR {  260}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 32   and name HG2 ))
 OR {  260}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 5    and name HB2 ))
 OR {  260}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 4    and name HB3 ))
 OR {  260}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 30   and name HG2 ))
 OR {  260}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 77   and name HB3 ))
 OR {  260}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 28   and name HG3 ))
 OR {  260}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 17   and name HB2 ))
 OR {  260}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 26   and name HB  ))
 ASSI {  261}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 57   and name H   ))
      1.700     0.300     0.500 peak   261 spectrum    1 weight  0.10000E+01 volume  0.79845E-02 ppm1      0.358 ppm2      0.590 CV     1
 OR {  261}
   (  segid "    " and resid 61   and name HD2%)
   (  segid "    " and resid 45   and name HD1%)
 OR {  261}
   (  segid "    " and resid 61   and name HD2%)
   (  segid "    " and resid 45   and name HD2%)
 OR {  261}
   (  segid "    " and resid 61   and name HD2%)
   (  segid "    " and resid 52   and name HG2%)
 OR {  261}
   (  segid "    " and resid 61   and name HD2%)
   (  segid "    " and resid 13   and name HD2%)
 OR {  261}
   (  segid "    " and resid 61   and name HD2%)
   (  segid "    " and resid 31   and name HD1%)
 OR {  261}
   (  segid "    " and resid 61   and name HD2%)
   (  segid "    " and resid 22   and name HD2%)
 ASSI {  262}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 59   and name HB2 ))
      3.000     1.100     1.100 peak   262 spectrum    1 weight  0.10000E+01 volume  0.33371E-02 ppm1      4.357 ppm2      1.992 CV     1
 OR {  262}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 59   and name HG2 ))
 OR {  262}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 57   and name HB3 ))
 OR {  262}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 63   and name HB2 ))
 OR {  262}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {  262}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 56   and name HB2 ))
 OR {  262}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 66   and name HB2 ))
 OR {  262}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 66   and name HB3 ))
 OR {  262}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 49   and name HB3 ))
 OR {  262}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 44   and name HB  ))
 OR {  262}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 69   and name HB3 ))
 OR {  262}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 69   and name HB2 ))
 OR {  262}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 12   and name HB3 ))
 OR {  262}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 33   and name HB2 ))
 OR {  262}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
 OR {  262}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 4    and name HG3 ))
 OR {  262}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {  262}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 28   and name HB2 ))
 OR {  262}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 17   and name HG3 ))
 OR {  262}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 25   and name HB3 ))
 OR {  262}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
 OR {  262}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 83   and name HE% )
 OR {  262}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 83   and name HB3 ))
 OR {  262}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 83   and name HB2 ))
 OR {  262}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 87   and name HE% )
 OR {  262}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 87   and name HB3 ))
 ASSI {  263}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 63   and name HG3 ))
      2.900     1.100     1.100 peak   263 spectrum    1 weight  0.10000E+01 volume  0.15769E-02 ppm1      4.365 ppm2      2.209 CV     1
 OR {  263}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 63   and name HG2 ))
 OR {  263}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 49   and name HG2 ))
 OR {  263}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 49   and name HG3 ))
 OR {  263}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 49   and name HB2 ))
 OR {  263}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 54   and name HB  ))
 OR {  263}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 66   and name HG3 ))
 OR {  263}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 69   and name HG2 ))
 OR {  263}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 69   and name HG3 ))
 OR {  263}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 12   and name HG2 ))
 OR {  263}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 12   and name HG3 ))
 OR {  263}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 33   and name HG2 ))
 OR {  263}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 32   and name HG2 ))
 OR {  263}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 5    and name HB2 ))
 OR {  263}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 30   and name HG2 ))
 OR {  263}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 4    and name HB3 ))
 OR {  263}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 28   and name HG3 ))
 OR {  263}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
 OR {  263}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 26   and name HB  ))
 OR {  263}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 77   and name HB3 ))
 ASSI {  264}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 47   and name HD2%)
      2.200     0.600     0.600 peak   264 spectrum    1 weight  0.10000E+01 volume  0.13159E-02 ppm1      4.352 ppm2      0.733 CV     1
 OR {  264}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  264}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  264}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  264}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  264}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  264}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  264}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  264}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  264}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  264}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 26   and name HG2%)
 OR {  264}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  264}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  264}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  264}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  264}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  264}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 79   and name HD1%)
 OR {  264}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  264}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  264}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  264}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  265}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 61   and name HD1%)
      4.100     2.100     1.900 peak   265 spectrum    1 weight  0.10000E+01 volume  0.13270E-02 ppm1      4.362 ppm2      0.482 CV     1
 OR {  265}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 52   and name HD1%)
 OR {  265}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 29   and name HG2%)
 OR {  265}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 23   and name HD1%)
 ASSI {  266}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 60   and name HB2 ))
      2.100     0.500     0.500 peak   266 spectrum    1 weight  0.10000E+01 volume  0.67351E-02 ppm1      3.908 ppm2      3.652 CV     1
 OR {  266}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 59   and name HD2 ))
 OR {  266}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 56   and name HD2 ))
 OR {  266}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 53   and name HB3 ))
 OR {  266}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 5    and name HD2 ))
 OR {  266}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 17   and name HD3 ))
 OR {  266}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 26   and name HA  ))
 OR {  266}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 23   and name HA  ))
 OR {  266}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 88   and name HA3 ))
 OR {  266}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 88   and name HA2 ))
 ASSI {  267}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 60   and name HB3 ))
      2.100     0.500     0.500 peak   267 spectrum    1 weight  0.10000E+01 volume  0.62243E-02 ppm1      3.653 ppm2      3.908 CV     1
 OR {  267}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 62   and name HB2 ))
 OR {  267}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 62   and name HB3 ))
 OR {  267}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 34   and name HA  ))
 OR {  267}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 6    and name HB3 ))
 OR {  267}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 74   and name HA3 ))
 OR {  267}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 74   and name HA2 ))
 OR {  267}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 19   and name HB3 ))
 ASSI {  268}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 60   and name HA  ))
      2.800     1.000     1.000 peak   268 spectrum    1 weight  0.10000E+01 volume  0.21932E-02 ppm1      3.653 ppm2      4.359 CV     1
 OR {  268}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 59   and name HA  ))
 OR {  268}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 56   and name HA  ))
 OR {  268}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 55   and name HA  ))
 OR {  268}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 42   and name HA  ))
 OR {  268}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 11   and name HA  ))
 OR {  268}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 40   and name HA  ))
 OR {  268}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 8    and name HA  ))
 OR {  268}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 13   and name HA  ))
 OR {  268}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 33   and name HA  ))
 OR {  268}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 6    and name HA  ))
 OR {  268}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 5    and name HA  ))
 OR {  268}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 15   and name HA  ))
 OR {  268}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 16   and name HA  ))
 OR {  268}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 75   and name HA  ))
 OR {  268}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 2    and name HA  ))
 OR {  268}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 25   and name HA  ))
 OR {  268}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 77   and name HA  ))
 OR {  268}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 19   and name HA  ))
 OR {  268}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 83   and name HA  ))
 ASSI {  269}
   (( segid "    " and resid 60   and name HB3 ))
   (  segid "    " and resid 61   and name HD1%)
      4.500     2.500     1.500 peak   269 spectrum    1 weight  0.10000E+01 volume  0.13492E-02 ppm1      3.908 ppm2      0.486 CV     1
 OR {  269}
   (( segid "    " and resid 60   and name HB3 ))
   (  segid "    " and resid 52   and name HD1%)
 OR {  269}
   (( segid "    " and resid 60   and name HB3 ))
   (  segid "    " and resid 29   and name HG2%)
 OR {  269}
   (( segid "    " and resid 60   and name HB3 ))
   (  segid "    " and resid 23   and name HD1%)
 ASSI {  270}
   (( segid "    " and resid 60   and name HB2 ))
   (  segid "    " and resid 61   and name HD1%)
      4.700     2.700     1.300 peak   270 spectrum    1 weight  0.10000E+01 volume  0.88284E-03 ppm1      3.650 ppm2      0.478 CV     1
 OR {  270}
   (( segid "    " and resid 60   and name HB2 ))
   (  segid "    " and resid 52   and name HD1%)
 OR {  270}
   (( segid "    " and resid 60   and name HB2 ))
   (  segid "    " and resid 29   and name HG2%)
 OR {  270}
   (( segid "    " and resid 60   and name HB2 ))
   (  segid "    " and resid 23   and name HD1%)
 ASSI {  271}
   (( segid "    " and resid 60   and name HB3 ))
   (  segid "    " and resid 47   and name HD2%)
      2.100     0.500     0.500 peak   271 spectrum    1 weight  0.10000E+01 volume  0.22099E-02 ppm1      3.909 ppm2      0.694 CV     1
 OR {  271}
   (( segid "    " and resid 60   and name HB3 ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  271}
   (( segid "    " and resid 60   and name HB3 ))
   (  segid "    " and resid 52   and name HG2%)
 OR {  271}
   (( segid "    " and resid 60   and name HB3 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  271}
   (( segid "    " and resid 60   and name HB3 ))
   (  segid "    " and resid 31   and name HD1%)
 OR {  271}
   (( segid "    " and resid 60   and name HB3 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  271}
   (( segid "    " and resid 60   and name HB3 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  271}
   (( segid "    " and resid 60   and name HB3 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  271}
   (( segid "    " and resid 60   and name HB3 ))
   (  segid "    " and resid 26   and name HG2%)
 OR {  271}
   (( segid "    " and resid 60   and name HB3 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  271}
   (( segid "    " and resid 60   and name HB3 ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  271}
   (( segid "    " and resid 60   and name HB3 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  271}
   (( segid "    " and resid 60   and name HB3 ))
   (  segid "    " and resid 22   and name HD2%)
 OR {  271}
   (( segid "    " and resid 60   and name HB3 ))
   (  segid "    " and resid 79   and name HD1%)
 OR {  271}
   (( segid "    " and resid 60   and name HB3 ))
   (  segid "    " and resid 79   and name HD2%)
 ASSI {  272}
   (( segid "    " and resid 60   and name HB2 ))
   (  segid "    " and resid 47   and name HD2%)
      2.100     0.600     0.600 peak   272 spectrum    1 weight  0.10000E+01 volume  0.17880E-02 ppm1      3.653 ppm2      0.693 CV     1
 OR {  272}
   (( segid "    " and resid 60   and name HB2 ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  272}
   (( segid "    " and resid 60   and name HB2 ))
   (  segid "    " and resid 52   and name HG2%)
 OR {  272}
   (( segid "    " and resid 60   and name HB2 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  272}
   (( segid "    " and resid 60   and name HB2 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  272}
   (( segid "    " and resid 60   and name HB2 ))
   (  segid "    " and resid 31   and name HD1%)
 OR {  272}
   (( segid "    " and resid 60   and name HB2 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  272}
   (( segid "    " and resid 60   and name HB2 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  272}
   (( segid "    " and resid 60   and name HB2 ))
   (  segid "    " and resid 26   and name HG2%)
 OR {  272}
   (( segid "    " and resid 60   and name HB2 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  272}
   (( segid "    " and resid 60   and name HB2 ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  272}
   (( segid "    " and resid 60   and name HB2 ))
   (  segid "    " and resid 79   and name HD1%)
 OR {  272}
   (( segid "    " and resid 60   and name HB2 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  272}
   (( segid "    " and resid 60   and name HB2 ))
   (  segid "    " and resid 22   and name HD2%)
 OR {  272}
   (( segid "    " and resid 60   and name HB2 ))
   (  segid "    " and resid 79   and name HD2%)
 ASSI {  273}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 50   and name HB2 ))
      2.400     0.700     0.700 peak   273 spectrum    1 weight  0.10000E+01 volume  0.86064E-03 ppm1      3.915 ppm2      1.758 CV     1
 OR {  273}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {  273}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 68   and name HG3 ))
 OR {  273}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 41   and name HB2 ))
 OR {  273}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 41   and name HB3 ))
 OR {  273}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 70   and name HB2 ))
 OR {  273}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 70   and name HB3 ))
 OR {  273}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 71   and name HB3 ))
 OR {  273}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 32   and name HB3 ))
 OR {  273}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 29   and name HB  ))
 OR {  273}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 16   and name HB2 ))
 OR {  273}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 4    and name HB2 ))
 OR {  273}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 27   and name HB  ))
 OR {  273}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 17   and name HB3 ))
 OR {  273}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 18   and name HG  ))
 OR {  273}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 77   and name HB2 ))
 OR {  273}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 24   and name HB3 ))
 OR {  273}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 24   and name HG2 ))
 OR {  273}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 24   and name HG3 ))
 OR {  273}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 78   and name HB2 ))
 OR {  273}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 85   and name HB3 ))
 OR {  273}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 86   and name HB2 ))
 OR {  273}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 86   and name HB3 ))
 ASSI {  274}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 61   and name HB3 ))
      4.500     2.600     1.500 peak   274 spectrum    1 weight  0.10000E+01 volume  0.10661E-02 ppm1      3.917 ppm2      1.494 CV     1
 OR {  274}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 50   and name HG2 ))
 OR {  274}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 47   and name HG  ))
 OR {  274}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 52   and name HB  ))
 OR {  274}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 70   and name HG3 ))
 OR {  274}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 72   and name HB3 ))
 OR {  274}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 72   and name HG  ))
 OR {  274}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 15   and name HG2 ))
 OR {  274}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 15   and name HB2 ))
 OR {  274}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 3    and name HB3 ))
 OR {  274}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {  274}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 3    and name HB2 ))
 OR {  274}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 2    and name HB3 ))
 OR {  274}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 27   and name HG12))
 OR {  274}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 2    and name HB2 ))
 OR {  274}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 2    and name HG  ))
 OR {  274}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 18   and name HB2 ))
 OR {  274}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 76   and name HB2 ))
 OR {  274}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 76   and name HB3 ))
 OR {  274}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 23   and name HB2 ))
 OR {  274}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 79   and name HG  ))
 OR {  274}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 79   and name HB2 ))
 OR {  274}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 21   and name HG2 ))
 OR {  274}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 84   and name HB2 ))
 OR {  274}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 84   and name HG  ))
 OR {  274}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {  274}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 85   and name HG3 ))
 ASSI {  275}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 60   and name H   ))
      4.300     2.300     1.700 peak   275 spectrum    1 weight  0.10000E+01 volume  0.86618E-03 ppm1      3.646 ppm2      8.698 CV     1
 OR {  275}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 47   and name H   ))
 OR {  275}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 52   and name H   ))
 OR {  275}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 42   and name H   ))
 OR {  275}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 29   and name H   ))
 ASSI {  276}
   (( segid "    " and resid 59   and name HD3 ))
   (( segid "    " and resid 58   and name H   ))
      4.100     2.100     1.900 peak   276 spectrum    1 weight  0.10000E+01 volume  0.10994E-02 ppm1      4.033 ppm2      8.264 CV     1
 OR {  276}
   (( segid "    " and resid 59   and name HD3 ))
   (( segid "    " and resid 9    and name H   ))
 OR {  276}
   (( segid "    " and resid 59   and name HD3 ))
   (( segid "    " and resid 8    and name H   ))
 OR {  276}
   (( segid "    " and resid 59   and name HD3 ))
   (( segid "    " and resid 69   and name H   ))
 OR {  276}
   (( segid "    " and resid 59   and name HD3 ))
   (( segid "    " and resid 3    and name H   ))
 OR {  276}
   (( segid "    " and resid 59   and name HD3 ))
   (( segid "    " and resid 73   and name H   ))
 OR {  276}
   (( segid "    " and resid 59   and name HD3 ))
   (( segid "    " and resid 74   and name H   ))
 OR {  276}
   (( segid "    " and resid 59   and name HD3 ))
   (( segid "    " and resid 76   and name H   ))
 OR {  276}
   (( segid "    " and resid 59   and name HD3 ))
   (( segid "    " and resid 78   and name H   ))
 OR {  276}
   (( segid "    " and resid 59   and name HD3 ))
   (( segid "    " and resid 80   and name H   ))
 OR {  276}
   (( segid "    " and resid 59   and name HD3 ))
   (( segid "    " and resid 81   and name H   ))
 OR {  276}
   (( segid "    " and resid 59   and name HD3 ))
   (( segid "    " and resid 86   and name H   ))
 ASSI {  277}
   (( segid "    " and resid 59   and name HD3 ))
   (( segid "    " and resid 58   and name HB2 ))
      4.300     2.300     1.700 peak   277 spectrum    1 weight  0.10000E+01 volume  0.10161E-02 ppm1      4.049 ppm2      2.810 CV     1
 OR {  277}
   (( segid "    " and resid 59   and name HD3 ))
   (( segid "    " and resid 55   and name HB2 ))
 OR {  277}
   (( segid "    " and resid 59   and name HD3 ))
   (( segid "    " and resid 15   and name HD3 ))
 OR {  277}
   (( segid "    " and resid 59   and name HD3 ))
   (( segid "    " and resid 15   and name HD2 ))
 OR {  277}
   (( segid "    " and resid 59   and name HD3 ))
   (( segid "    " and resid 80   and name HB3 ))
 ASSI {  278}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 58   and name HB2 ))
      4.800     2.800     1.200 peak   278 spectrum    1 weight  0.10000E+01 volume  0.83843E-03 ppm1      3.653 ppm2      2.818 CV     1
 OR {  278}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 55   and name HB2 ))
 OR {  278}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 15   and name HD3 ))
 OR {  278}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 15   and name HD2 ))
 OR {  278}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 71   and name HE2 ))
 OR {  278}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 71   and name HE3 ))
 ASSI {  279}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 60   and name H   ))
      4.800     2.900     1.200 peak   279 spectrum    1 weight  0.10000E+01 volume  0.86064E-03 ppm1      2.393 ppm2      8.692 CV     1
 OR {  279}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 47   and name H   ))
 OR {  279}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 52   and name H   ))
 OR {  279}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 42   and name H   ))
 OR {  279}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 29   and name H   ))
 ASSI {  280}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 56   and name HG3 ))
      2.300     0.700     0.700 peak   280 spectrum    1 weight  0.10000E+01 volume  0.11216E-02 ppm1      2.391 ppm2      1.753 CV     1
 OR {  280}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {  280}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 50   and name HB2 ))
 OR {  280}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 41   and name HB2 ))
 OR {  280}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 41   and name HB3 ))
 OR {  280}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 68   and name HG3 ))
 OR {  280}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 70   and name HB2 ))
 OR {  280}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 70   and name HB3 ))
 OR {  280}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 71   and name HB3 ))
 OR {  280}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 32   and name HB3 ))
 OR {  280}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 29   and name HB  ))
 OR {  280}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 16   and name HB2 ))
 OR {  280}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 27   and name HB  ))
 OR {  280}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 17   and name HB3 ))
 OR {  280}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 18   and name HG  ))
 OR {  280}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 24   and name HB3 ))
 OR {  280}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 24   and name HG2 ))
 OR {  280}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 24   and name HG3 ))
 OR {  280}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 77   and name HB2 ))
 OR {  280}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 78   and name HB2 ))
 OR {  280}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 85   and name HB3 ))
 OR {  280}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 86   and name HB2 ))
 OR {  280}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 86   and name HB3 ))
 ASSI {  281}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 58   and name HA  ))
      5.000     3.200     1.000 peak   281 spectrum    1 weight  0.10000E+01 volume  0.10328E-02 ppm1      1.977 ppm2      4.702 CV     1
 OR {  281}
   (( segid "    " and resid 4    and name HG3 ))
   (( segid "    " and resid 28   and name HA  ))
 OR {  281}
   (( segid "    " and resid 4    and name HG2 ))
   (( segid "    " and resid 28   and name HA  ))
 OR {  281}
   (( segid "    " and resid 4    and name HG3 ))
   (( segid "    " and resid 38   and name HA  ))
 OR {  281}
   (( segid "    " and resid 4    and name HG2 ))
   (( segid "    " and resid 38   and name HA  ))
 OR {  281}
   (( segid "    " and resid 4    and name HG3 ))
   (( segid "    " and resid 41   and name HA  ))
 OR {  281}
   (( segid "    " and resid 4    and name HG2 ))
   (( segid "    " and resid 41   and name HA  ))
 OR {  281}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 41   and name HA  ))
 OR {  281}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 38   and name HA  ))
 OR {  281}
   (( segid "    " and resid 4    and name HG3 ))
   (( segid "    " and resid 58   and name HA  ))
 OR {  281}
   (( segid "    " and resid 4    and name HG2 ))
   (( segid "    " and resid 58   and name HA  ))
 OR {  281}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 28   and name HA  ))
 ASSI {  282}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 60   and name HA  ))
      3.500     1.500     1.500 peak   282 spectrum    1 weight  0.10000E+01 volume  0.10494E-02 ppm1      3.051 ppm2      4.341 CV     1
 OR {  282}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 56   and name HA  ))
 OR {  282}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 55   and name HA  ))
 OR {  282}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 64   and name HA  ))
 OR {  282}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 42   and name HA  ))
 OR {  282}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 11   and name HA  ))
 OR {  282}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 8    and name HA  ))
 OR {  282}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 13   and name HA  ))
 OR {  282}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 33   and name HA  ))
 OR {  282}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 6    and name HA  ))
 OR {  282}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 5    and name HA  ))
 OR {  282}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 15   and name HA  ))
 OR {  282}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 16   and name HA  ))
 OR {  282}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 2    and name HA  ))
 OR {  282}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 25   and name HA  ))
 OR {  282}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 19   and name HA  ))
 OR {  282}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 75   and name HA  ))
 OR {  282}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 77   and name HA  ))
 OR {  282}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 83   and name HA  ))
 ASSI {  283}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 58   and name H   ))
      2.800     1.000     1.000 peak   283 spectrum    1 weight  0.10000E+01 volume  0.34037E-02 ppm1      4.501 ppm2      8.261 CV     1
 OR {  283}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 9    and name H   ))
 OR {  283}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 8    and name H   ))
 OR {  283}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 3    and name H   ))
 OR {  283}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 73   and name H   ))
 OR {  283}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 74   and name H   ))
 OR {  283}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 76   and name H   ))
 OR {  283}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 78   and name H   ))
 OR {  283}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 80   and name H   ))
 OR {  283}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 81   and name H   ))
 OR {  283}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 86   and name H   ))
 ASSI {  284}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 57   and name H   ))
      3.400     1.500     1.500 peak   284 spectrum    1 weight  0.10000E+01 volume  0.14159E-02 ppm1      4.322 ppm2      0.634 CV     1
 OR {  284}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 45   and name HD1%)
 OR {  284}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 52   and name HG2%)
 OR {  284}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 45   and name HD2%)
 OR {  284}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 13   and name HD2%)
 OR {  284}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 31   and name HD1%)
 OR {  284}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 26   and name HG2%)
 OR {  284}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  284}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 22   and name HD2%)
 OR {  284}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 79   and name HD1%)
 ASSI {  285}
   (( segid "    " and resid 56   and name HD2 ))
   (( segid "    " and resid 52   and name HG13))
      2.200     0.600     0.600 peak   285 spectrum    1 weight  0.10000E+01 volume  0.13382E-02 ppm1      3.651 ppm2      0.878 CV     1
 OR {  285}
   (( segid "    " and resid 56   and name HD2 ))
   (  segid "    " and resid 13   and name HD1%)
 OR {  285}
   (( segid "    " and resid 56   and name HD2 ))
   (  segid "    " and resid 27   and name HG2%)
 OR {  285}
   (( segid "    " and resid 56   and name HD2 ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  285}
   (( segid "    " and resid 56   and name HD2 ))
   (  segid "    " and resid 3    and name HD1%)
 OR {  285}
   (( segid "    " and resid 56   and name HD2 ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  285}
   (( segid "    " and resid 56   and name HD2 ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  285}
   (( segid "    " and resid 56   and name HD2 ))
   (( segid "    " and resid 23   and name HB3 ))
 ASSI {  286}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 15   and name HA  ))
      1.800     0.400     0.400 peak   286 spectrum    1 weight  0.10000E+01 volume  0.64354E-02 ppm1      3.667 ppm2      4.314 CV     1
 OR {  286}
   (( segid "    " and resid 17   and name HD3 ))
   (( segid "    " and resid 16   and name HA  ))
 OR {  286}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 5    and name HA  ))
 OR {  286}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 6    and name HA  ))
 OR {  286}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 16   and name HA  ))
 OR {  286}
   (( segid "    " and resid 17   and name HD3 ))
   (( segid "    " and resid 15   and name HA  ))
 OR {  286}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 13   and name HA  ))
 OR {  286}
   (( segid "    " and resid 17   and name HD3 ))
   (( segid "    " and resid 2    and name HA  ))
 OR {  286}
   (( segid "    " and resid 17   and name HD3 ))
   (( segid "    " and resid 19   and name HA  ))
 OR {  286}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 7    and name HA  ))
 OR {  286}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 2    and name HA  ))
 OR {  286}
   (( segid "    " and resid 17   and name HD3 ))
   (( segid "    " and resid 27   and name HA  ))
 OR {  286}
   (( segid "    " and resid 17   and name HD3 ))
   (( segid "    " and resid 5    and name HA  ))
 OR {  286}
   (( segid "    " and resid 17   and name HD3 ))
   (( segid "    " and resid 6    and name HA  ))
 OR {  286}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 8    and name HA  ))
 OR {  286}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 27   and name HA  ))
 OR {  286}
   (( segid "    " and resid 17   and name HD3 ))
   (( segid "    " and resid 13   and name HA  ))
 OR {  286}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 33   and name HA  ))
 OR {  286}
   (( segid "    " and resid 17   and name HD3 ))
   (( segid "    " and resid 25   and name HA  ))
 OR {  286}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 19   and name HA  ))
 OR {  286}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 11   and name HA  ))
 OR {  286}
   (( segid "    " and resid 17   and name HD3 ))
   (( segid "    " and resid 33   and name HA  ))
 OR {  286}
   (( segid "    " and resid 17   and name HD3 ))
   (( segid "    " and resid 7    and name HA  ))
 OR {  286}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 25   and name HA  ))
 OR {  286}
   (( segid "    " and resid 17   and name HD3 ))
   (( segid "    " and resid 8    and name HA  ))
 OR {  286}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 42   and name HA  ))
 OR {  286}
   (( segid "    " and resid 17   and name HD3 ))
   (( segid "    " and resid 11   and name HA  ))
 OR {  286}
   (( segid "    " and resid 17   and name HD3 ))
   (( segid "    " and resid 42   and name HA  ))
 OR {  286}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 55   and name HA  ))
 OR {  286}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 56   and name HA  ))
 OR {  286}
   (( segid "    " and resid 17   and name HD3 ))
   (( segid "    " and resid 55   and name HA  ))
 OR {  286}
   (( segid "    " and resid 17   and name HD3 ))
   (( segid "    " and resid 56   and name HA  ))
 OR {  286}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 60   and name HA  ))
 OR {  286}
   (( segid "    " and resid 17   and name HD3 ))
   (( segid "    " and resid 60   and name HA  ))
 OR {  286}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 64   and name HA  ))
 OR {  286}
   (( segid "    " and resid 17   and name HD3 ))
   (( segid "    " and resid 64   and name HA  ))
 OR {  286}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 75   and name HA  ))
 OR {  286}
   (( segid "    " and resid 17   and name HD3 ))
   (( segid "    " and resid 75   and name HA  ))
 OR {  286}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 77   and name HA  ))
 OR {  286}
   (( segid "    " and resid 17   and name HD3 ))
   (( segid "    " and resid 77   and name HA  ))
 OR {  286}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 79   and name HA  ))
 OR {  286}
   (( segid "    " and resid 17   and name HD3 ))
   (( segid "    " and resid 79   and name HA  ))
 OR {  286}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 83   and name HA  ))
 OR {  286}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 84   and name HA  ))
 OR {  286}
   (( segid "    " and resid 17   and name HD3 ))
   (( segid "    " and resid 83   and name HA  ))
 OR {  286}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 85   and name HA  ))
 OR {  286}
   (( segid "    " and resid 17   and name HD3 ))
   (( segid "    " and resid 84   and name HA  ))
 OR {  286}
   (( segid "    " and resid 17   and name HD3 ))
   (( segid "    " and resid 85   and name HA  ))
 ASSI {  288}
   (( segid "    " and resid 28   and name HB2 ))
   (  segid "    " and resid 26   and name HG1%)
      3.400     1.400     1.400 peak   288 spectrum    1 weight  0.10000E+01 volume  0.22877E-02 ppm1      2.041 ppm2      0.859 CV     1
 OR {  288}
   (( segid "    " and resid 28   and name HB2 ))
   (  segid "    " and resid 27   and name HG2%)
 OR {  288}
   (( segid "    " and resid 25   and name HB3 ))
   (  segid "    " and resid 27   and name HG2%)
 OR {  288}
   (( segid "    " and resid 25   and name HB3 ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  288}
   (( segid "    " and resid 28   and name HB2 ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  288}
   (( segid "    " and resid 83   and name HB3 ))
   (  segid "    " and resid 84   and name HD1%)
 OR {  288}
   (( segid "    " and resid 28   and name HB2 ))
   (  segid "    " and resid 3    and name HD1%)
 OR {  288}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {  288}
   (( segid "    " and resid 25   and name HB3 ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  288}
   (( segid "    " and resid 25   and name HB3 ))
   (  segid "    " and resid 3    and name HD1%)
 OR {  288}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {  288}
   (( segid "    " and resid 28   and name HB2 ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  288}
   (( segid "    " and resid 25   and name HB3 ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  288}
   (( segid "    " and resid 28   and name HB2 ))
   (  segid "    " and resid 13   and name HD1%)
 OR {  288}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 52   and name HG13))
 OR {  288}
   (( segid "    " and resid 83   and name HB3 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  288}
   (( segid "    " and resid 25   and name HB3 ))
   (  segid "    " and resid 13   and name HD1%)
 OR {  288}
   (( segid "    " and resid 83   and name HB3 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  288}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 52   and name HG13))
 OR {  288}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 13   and name HD1%)
 OR {  288}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 52   and name HG13))
 OR {  288}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 27   and name HG2%)
 OR {  288}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  288}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 3    and name HD1%)
 OR {  288}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  288}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  288}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {  288}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  288}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  288}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 84   and name HD1%)
 OR {  288}
   (( segid "    " and resid 28   and name HB2 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  288}
   (( segid "    " and resid 28   and name HB2 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  288}
   (( segid "    " and resid 25   and name HB3 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  288}
   (( segid "    " and resid 25   and name HB3 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  288}
   (( segid "    " and resid 83   and name HB3 ))
   (( segid "    " and resid 52   and name HG13))
 OR {  288}
   (( segid "    " and resid 83   and name HB3 ))
   (  segid "    " and resid 13   and name HD1%)
 OR {  288}
   (( segid "    " and resid 83   and name HB3 ))
   (  segid "    " and resid 27   and name HG2%)
 OR {  288}
   (( segid "    " and resid 83   and name HB3 ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  288}
   (( segid "    " and resid 83   and name HB3 ))
   (  segid "    " and resid 3    and name HD1%)
 OR {  288}
   (( segid "    " and resid 83   and name HB3 ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  288}
   (( segid "    " and resid 28   and name HB2 ))
   (  segid "    " and resid 84   and name HD1%)
 OR {  288}
   (( segid "    " and resid 83   and name HB3 ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  288}
   (( segid "    " and resid 25   and name HB3 ))
   (  segid "    " and resid 84   and name HD1%)
 OR {  288}
   (( segid "    " and resid 83   and name HB3 ))
   (( segid "    " and resid 23   and name HB3 ))
 ASSI {  289}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 26   and name HG1%)
      3.500     1.500     1.500 peak   289 spectrum    1 weight  0.10000E+01 volume  0.41921E-02 ppm1      1.987 ppm2      0.843 CV     1
 OR {  289}
   (( segid "    " and resid 83   and name HB2 ))
   (  segid "    " and resid 84   and name HD1%)
 OR {  289}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 27   and name HG2%)
 OR {  289}
   (( segid "    " and resid 83   and name HB3 ))
   (  segid "    " and resid 84   and name HD1%)
 OR {  289}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {  289}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  289}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 3    and name HD1%)
 OR {  289}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  289}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  289}
   (( segid "    " and resid 83   and name HB3 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  289}
   (( segid "    " and resid 83   and name HB3 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  289}
   (( segid "    " and resid 83   and name HB2 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  289}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 13   and name HD1%)
 OR {  289}
   (( segid "    " and resid 83   and name HB2 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  289}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  289}
   (( segid "    " and resid 83   and name HB3 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  289}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 52   and name HG13))
 OR {  289}
   (( segid "    " and resid 83   and name HB2 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  289}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  289}
   (( segid "    " and resid 83   and name HB3 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  289}
   (( segid "    " and resid 83   and name HB2 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  289}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  289}
   (( segid "    " and resid 83   and name HB3 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  289}
   (( segid "    " and resid 83   and name HB2 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  289}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  289}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  289}
   (( segid "    " and resid 83   and name HB3 ))
   (( segid "    " and resid 52   and name HG13))
 OR {  289}
   (( segid "    " and resid 83   and name HB3 ))
   (  segid "    " and resid 13   and name HD1%)
 OR {  289}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 52   and name HG13))
 OR {  289}
   (( segid "    " and resid 83   and name HB2 ))
   (  segid "    " and resid 13   and name HD1%)
 OR {  289}
   (( segid "    " and resid 83   and name HB3 ))
   (  segid "    " and resid 27   and name HG2%)
 OR {  289}
   (( segid "    " and resid 83   and name HB2 ))
   (  segid "    " and resid 27   and name HG2%)
 OR {  289}
   (( segid "    " and resid 83   and name HB3 ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  289}
   (( segid "    " and resid 83   and name HB3 ))
   (  segid "    " and resid 3    and name HD1%)
 OR {  289}
   (( segid "    " and resid 83   and name HB3 ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  289}
   (( segid "    " and resid 83   and name HB2 ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  289}
   (( segid "    " and resid 83   and name HB3 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  289}
   (( segid "    " and resid 83   and name HB2 ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  289}
   (( segid "    " and resid 83   and name HB2 ))
   (  segid "    " and resid 3    and name HD1%)
 OR {  289}
   (( segid "    " and resid 83   and name HB2 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  289}
   (( segid "    " and resid 83   and name HB3 ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  289}
   (( segid "    " and resid 83   and name HB2 ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  289}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 84   and name HD1%)
 OR {  289}
   (( segid "    " and resid 83   and name HB3 ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {  289}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 23   and name HB3 ))
 ASSI {  290}
   (( segid "    " and resid 28   and name HB3 ))
   (  segid "    " and resid 26   and name HG1%)
      3.700     1.700     1.700 peak   290 spectrum    1 weight  0.10000E+01 volume  0.17713E-02 ppm1      1.855 ppm2      0.861 CV     1
 OR {  290}
   (( segid "    " and resid 28   and name HB3 ))
   (  segid "    " and resid 27   and name HG2%)
 OR {  290}
   (( segid "    " and resid 15   and name HB3 ))
   (  segid "    " and resid 13   and name HD1%)
 OR {  290}
   (( segid "    " and resid 28   and name HB3 ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  290}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 52   and name HG13))
 OR {  290}
   (( segid "    " and resid 28   and name HB3 ))
   (  segid "    " and resid 3    and name HD1%)
 OR {  290}
   (( segid "    " and resid 15   and name HB3 ))
   (  segid "    " and resid 3    and name HD1%)
 OR {  290}
   (( segid "    " and resid 15   and name HB3 ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  290}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 52   and name HG13))
 OR {  290}
   (( segid "    " and resid 15   and name HB3 ))
   (  segid "    " and resid 27   and name HG2%)
 OR {  290}
   (( segid "    " and resid 15   and name HB3 ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  290}
   (( segid "    " and resid 15   and name HB3 ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  290}
   (( segid "    " and resid 28   and name HB3 ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  290}
   (( segid "    " and resid 28   and name HB3 ))
   (  segid "    " and resid 13   and name HD1%)
 OR {  290}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 52   and name HG13))
 OR {  290}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {  290}
   (( segid "    " and resid 50   and name HB3 ))
   (  segid "    " and resid 13   and name HD1%)
 OR {  290}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {  290}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 52   and name HG13))
 OR {  290}
   (( segid "    " and resid 50   and name HB2 ))
   (  segid "    " and resid 13   and name HD1%)
 OR {  290}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 52   and name HG13))
 OR {  290}
   (( segid "    " and resid 56   and name HB3 ))
   (  segid "    " and resid 13   and name HD1%)
 OR {  290}
   (( segid "    " and resid 50   and name HB3 ))
   (  segid "    " and resid 27   and name HG2%)
 OR {  290}
   (( segid "    " and resid 50   and name HB2 ))
   (  segid "    " and resid 27   and name HG2%)
 OR {  290}
   (( segid "    " and resid 50   and name HB3 ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  290}
   (( segid "    " and resid 50   and name HB3 ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  290}
   (( segid "    " and resid 50   and name HB3 ))
   (  segid "    " and resid 3    and name HD1%)
 OR {  290}
   (( segid "    " and resid 50   and name HB2 ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  290}
   (( segid "    " and resid 50   and name HB2 ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  290}
   (( segid "    " and resid 50   and name HB2 ))
   (  segid "    " and resid 3    and name HD1%)
 OR {  290}
   (( segid "    " and resid 50   and name HB3 ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  290}
   (( segid "    " and resid 56   and name HB3 ))
   (  segid "    " and resid 27   and name HG2%)
 OR {  290}
   (( segid "    " and resid 50   and name HB2 ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  290}
   (( segid "    " and resid 56   and name HB3 ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  290}
   (( segid "    " and resid 56   and name HB3 ))
   (  segid "    " and resid 3    and name HD1%)
 OR {  290}
   (( segid "    " and resid 56   and name HB3 ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  290}
   (( segid "    " and resid 56   and name HB3 ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  290}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {  290}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {  290}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {  290}
   (( segid "    " and resid 56   and name HB3 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  290}
   (( segid "    " and resid 56   and name HB3 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  290}
   (( segid "    " and resid 50   and name HB2 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  290}
   (( segid "    " and resid 50   and name HB2 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  290}
   (( segid "    " and resid 50   and name HB3 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  290}
   (( segid "    " and resid 50   and name HB3 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  290}
   (( segid "    " and resid 56   and name HB3 ))
   (  segid "    " and resid 84   and name HD1%)
 OR {  290}
   (( segid "    " and resid 15   and name HB3 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  290}
   (( segid "    " and resid 50   and name HB2 ))
   (  segid "    " and resid 84   and name HD1%)
 OR {  290}
   (( segid "    " and resid 15   and name HB3 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  290}
   (( segid "    " and resid 50   and name HB3 ))
   (  segid "    " and resid 84   and name HD1%)
 OR {  290}
   (( segid "    " and resid 28   and name HB3 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  290}
   (( segid "    " and resid 28   and name HB3 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  290}
   (( segid "    " and resid 15   and name HB3 ))
   (  segid "    " and resid 84   and name HD1%)
 OR {  290}
   (( segid "    " and resid 28   and name HB3 ))
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  291}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 57   and name HE22))
      4.300     2.300     1.700 peak   291 spectrum    1 weight  0.10000E+01 volume  0.15158E-02 ppm1      2.051 ppm2      6.868 CV     1
 OR {  291}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 49   and name HE22))
 OR {  291}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 43   and name HD% )
 OR {  291}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 63   and name HE22))
 OR {  291}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 12   and name HE21))
 OR {  291}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 64   and name HD1 ))
 OR {  291}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 64   and name HH2 ))
 OR {  291}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 65   and name HZ  ))
 OR {  291}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 80   and name HD22))
 ASSI {  292}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 57   and name HE22))
      4.100     2.100     1.900 peak   292 spectrum    1 weight  0.10000E+01 volume  0.15269E-02 ppm1      1.844 ppm2      6.858 CV     1
 OR {  292}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 49   and name HE22))
 OR {  292}
   (( segid "    " and resid 56   and name HB3 ))
   (  segid "    " and resid 43   and name HD% )
 OR {  292}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 12   and name HE21))
 OR {  292}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 63   and name HE22))
 OR {  292}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 64   and name HD1 ))
 OR {  292}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 64   and name HH2 ))
 OR {  292}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 65   and name HZ  ))
 OR {  292}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 80   and name HD22))
 ASSI {  293}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HE22))
      4.300     2.300     1.700 peak   293 spectrum    1 weight  0.10000E+01 volume  0.74959E-03 ppm1      2.048 ppm2      6.705 CV     1
 OR {  293}
   (( segid "    " and resid 28   and name HB2 ))
   (  segid "    " and resid 14   and name HE% )
 OR {  293}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 28   and name HE22))
 OR {  293}
   (( segid "    " and resid 25   and name HB3 ))
   (  segid "    " and resid 14   and name HE% )
 OR {  293}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 14   and name HE% )
 OR {  293}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 64   and name HZ3 ))
 OR {  293}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 28   and name HE22))
 OR {  293}
   (( segid "    " and resid 83   and name HB3 ))
   (( segid "    " and resid 64   and name HZ3 ))
 OR {  293}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 64   and name HZ3 ))
 OR {  293}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 64   and name HZ3 ))
 OR {  293}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 64   and name HZ3 ))
 OR {  293}
   (( segid "    " and resid 83   and name HB3 ))
   (  segid "    " and resid 14   and name HE% )
 OR {  293}
   (( segid "    " and resid 87   and name HB2 ))
   (  segid "    " and resid 14   and name HE% )
 OR {  293}
   (( segid "    " and resid 83   and name HB3 ))
   (( segid "    " and resid 28   and name HE22))
 OR {  293}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 28   and name HE22))
 ASSI {  294}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 68   and name HE22))
      4.700     2.700     1.300 peak   294 spectrum    1 weight  0.10000E+01 volume  0.89395E-03 ppm1      1.858 ppm2      6.710 CV     1
 OR {  294}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 28   and name HE22))
 OR {  294}
   (( segid "    " and resid 15   and name HB3 ))
   (  segid "    " and resid 14   and name HE% )
 OR {  294}
   (( segid "    " and resid 28   and name HB3 ))
   (  segid "    " and resid 14   and name HE% )
 OR {  294}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 64   and name HZ3 ))
 OR {  294}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 28   and name HE22))
 OR {  294}
   (( segid "    " and resid 56   and name HB3 ))
   (  segid "    " and resid 14   and name HE% )
 OR {  294}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 64   and name HZ3 ))
 OR {  294}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 28   and name HE22))
 OR {  294}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 68   and name HE22))
 OR {  294}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 64   and name HZ3 ))
 OR {  294}
   (( segid "    " and resid 68   and name HG2 ))
   (  segid "    " and resid 14   and name HE% )
 OR {  294}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 64   and name HZ3 ))
 OR {  294}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 68   and name HE22))
 OR {  294}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 68   and name HE22))
 OR {  294}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 28   and name HE22))
 ASSI {  295}
   (( segid "    " and resid 83   and name HB3 ))
   (  segid "    " and resid 81   and name HE% )
      2.900     1.100     1.100 peak   295 spectrum    1 weight  0.10000E+01 volume  0.23266E-02 ppm1      2.047 ppm2      7.192 CV     1
 OR {  295}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 26   and name H   ))
 OR {  295}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 50   and name H   ))
 OR {  295}
   (( segid "    " and resid 83   and name HB3 ))
   (( segid "    " and resid 85   and name HE  ))
 OR {  295}
   (( segid "    " and resid 28   and name HB2 ))
   (  segid "    " and resid 1    and name HD% )
 OR {  295}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 22   and name H   ))
 OR {  295}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 43   and name HE% )
 OR {  295}
   (( segid "    " and resid 28   and name HB2 ))
   (  segid "    " and resid 43   and name HE% )
 OR {  295}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 65   and name HD% )
 OR {  295}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 50   and name H   ))
 OR {  295}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 64   and name HZ2 ))
 OR {  295}
   (( segid "    " and resid 83   and name HB3 ))
   (( segid "    " and resid 70   and name HE  ))
 OR {  295}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 1    and name HD% )
 OR {  295}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 26   and name H   ))
 OR {  295}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 70   and name HE  ))
 OR {  295}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 22   and name H   ))
 OR {  295}
   (( segid "    " and resid 83   and name HB3 ))
   (  segid "    " and resid 65   and name HD% )
 OR {  295}
   (( segid "    " and resid 83   and name HB3 ))
   (( segid "    " and resid 64   and name HZ2 ))
 OR {  295}
   (( segid "    " and resid 28   and name HB2 ))
   (  segid "    " and resid 65   and name HD% )
 OR {  295}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 64   and name HZ2 ))
 OR {  295}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 81   and name HE% )
 OR {  295}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 70   and name HE  ))
 OR {  295}
   (( segid "    " and resid 83   and name HB3 ))
   (  segid "    " and resid 43   and name HE% )
 OR {  295}
   (( segid "    " and resid 83   and name HB3 ))
   (( segid "    " and resid 50   and name H   ))
 OR {  295}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 85   and name HE  ))
 OR {  295}
   (( segid "    " and resid 28   and name HB2 ))
   (  segid "    " and resid 81   and name HE% )
 OR {  295}
   (( segid "    " and resid 83   and name HB3 ))
   (  segid "    " and resid 1    and name HD% )
 OR {  295}
   (( segid "    " and resid 83   and name HB3 ))
   (( segid "    " and resid 26   and name H   ))
 OR {  295}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 85   and name HE  ))
 OR {  295}
   (( segid "    " and resid 83   and name HB3 ))
   (( segid "    " and resid 22   and name H   ))
 ASSI {  296}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 50   and name H   ))
      2.900     1.100     1.100 peak   296 spectrum    1 weight  0.10000E+01 volume  0.12826E-02 ppm1      1.834 ppm2      7.196 CV     1
 OR {  296}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 50   and name H   ))
 OR {  296}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 26   and name H   ))
 OR {  296}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 50   and name H   ))
 OR {  296}
   (( segid "    " and resid 50   and name HB3 ))
   (  segid "    " and resid 43   and name HE% )
 OR {  296}
   (( segid "    " and resid 50   and name HB2 ))
   (  segid "    " and resid 43   and name HE% )
 OR {  296}
   (( segid "    " and resid 15   and name HB3 ))
   (  segid "    " and resid 1    and name HD% )
 OR {  296}
   (( segid "    " and resid 28   and name HB3 ))
   (  segid "    " and resid 1    and name HD% )
 OR {  296}
   (( segid "    " and resid 56   and name HB3 ))
   (  segid "    " and resid 43   and name HE% )
 OR {  296}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 26   and name H   ))
 OR {  296}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 22   and name H   ))
 OR {  296}
   (( segid "    " and resid 15   and name HB3 ))
   (  segid "    " and resid 43   and name HE% )
 OR {  296}
   (( segid "    " and resid 28   and name HB3 ))
   (  segid "    " and resid 43   and name HE% )
 OR {  296}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 22   and name H   ))
 OR {  296}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 50   and name H   ))
 OR {  296}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 50   and name H   ))
 OR {  296}
   (( segid "    " and resid 56   and name HB3 ))
   (  segid "    " and resid 65   and name HD% )
 OR {  296}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 64   and name HZ2 ))
 OR {  296}
   (( segid "    " and resid 50   and name HB3 ))
   (  segid "    " and resid 1    and name HD% )
 OR {  296}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 26   and name H   ))
 OR {  296}
   (( segid "    " and resid 50   and name HB2 ))
   (  segid "    " and resid 1    and name HD% )
 OR {  296}
   (( segid "    " and resid 50   and name HB2 ))
   (  segid "    " and resid 65   and name HD% )
 OR {  296}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 26   and name H   ))
 OR {  296}
   (( segid "    " and resid 50   and name HB3 ))
   (  segid "    " and resid 65   and name HD% )
 OR {  296}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 64   and name HZ2 ))
 OR {  296}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 64   and name HZ2 ))
 OR {  296}
   (( segid "    " and resid 56   and name HB3 ))
   (  segid "    " and resid 1    and name HD% )
 OR {  296}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 26   and name H   ))
 OR {  296}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 22   and name H   ))
 OR {  296}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 22   and name H   ))
 OR {  296}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 22   and name H   ))
 OR {  296}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 70   and name HE  ))
 OR {  296}
   (( segid "    " and resid 15   and name HB3 ))
   (  segid "    " and resid 65   and name HD% )
 OR {  296}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 70   and name HE  ))
 OR {  296}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 70   and name HE  ))
 OR {  296}
   (( segid "    " and resid 28   and name HB3 ))
   (  segid "    " and resid 65   and name HD% )
 OR {  296}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 64   and name HZ2 ))
 OR {  296}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 64   and name HZ2 ))
 OR {  296}
   (( segid "    " and resid 56   and name HB3 ))
   (  segid "    " and resid 81   and name HE% )
 OR {  296}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 70   and name HE  ))
 OR {  296}
   (( segid "    " and resid 50   and name HB2 ))
   (  segid "    " and resid 81   and name HE% )
 OR {  296}
   (( segid "    " and resid 50   and name HB3 ))
   (  segid "    " and resid 81   and name HE% )
 OR {  296}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 70   and name HE  ))
 OR {  296}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 85   and name HE  ))
 OR {  296}
   (( segid "    " and resid 15   and name HB3 ))
   (  segid "    " and resid 81   and name HE% )
 OR {  296}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 85   and name HE  ))
 OR {  296}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 85   and name HE  ))
 OR {  296}
   (( segid "    " and resid 28   and name HB3 ))
   (  segid "    " and resid 81   and name HE% )
 OR {  296}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 85   and name HE  ))
 OR {  296}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 85   and name HE  ))
 ASSI {  297}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 49   and name HE21))
      3.500     1.600     1.600 peak   297 spectrum    1 weight  0.10000E+01 volume  0.12882E-02 ppm1      1.845 ppm2      7.549 CV     1
 OR {  297}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 28   and name H   ))
 OR {  297}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 49   and name HE21))
 OR {  297}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 57   and name HE21))
 OR {  297}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 49   and name HE21))
 OR {  297}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 36   and name H   ))
 OR {  297}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 36   and name H   ))
 OR {  297}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 28   and name H   ))
 OR {  297}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 57   and name HE21))
 OR {  297}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 57   and name HE21))
 OR {  297}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 61   and name H   ))
 OR {  297}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 36   and name H   ))
 OR {  297}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 36   and name H   ))
 OR {  297}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 61   and name H   ))
 OR {  297}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 61   and name H   ))
 OR {  297}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 36   and name H   ))
 OR {  297}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 49   and name HE21))
 OR {  297}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 28   and name H   ))
 OR {  297}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 49   and name HE21))
 OR {  297}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 28   and name H   ))
 OR {  297}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 57   and name HE21))
 OR {  297}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 28   and name H   ))
 OR {  297}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 57   and name HE21))
 OR {  297}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 61   and name H   ))
 OR {  297}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 61   and name H   ))
 OR {  297}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 80   and name HD21))
 OR {  297}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 80   and name HD21))
 OR {  297}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 80   and name HD21))
 OR {  297}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 80   and name HD21))
 OR {  297}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 80   and name HD21))
 ASSI {  298}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 29   and name H   ))
      2.900     1.100     1.100 peak   298 spectrum    1 weight  0.10000E+01 volume  0.97168E-03 ppm1      1.858 ppm2      8.736 CV     1
 OR {  298}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 52   and name H   ))
 OR {  298}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 52   and name H   ))
 OR {  298}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 47   and name H   ))
 OR {  298}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 29   and name H   ))
 OR {  298}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 47   and name H   ))
 OR {  298}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 47   and name H   ))
 OR {  298}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 52   and name H   ))
 OR {  298}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 34   and name H   ))
 OR {  298}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 34   and name H   ))
 OR {  298}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 60   and name H   ))
 OR {  298}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 42   and name H   ))
 OR {  298}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 42   and name H   ))
 OR {  298}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 42   and name H   ))
 OR {  298}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 42   and name H   ))
 OR {  298}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 42   and name H   ))
 OR {  298}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 34   and name H   ))
 OR {  298}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 34   and name H   ))
 OR {  298}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 60   and name H   ))
 OR {  298}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 60   and name H   ))
 OR {  298}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 52   and name H   ))
 OR {  298}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 52   and name H   ))
 OR {  298}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 29   and name H   ))
 OR {  298}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 34   and name H   ))
 OR {  298}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 47   and name H   ))
 OR {  298}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 29   and name H   ))
 OR {  298}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 47   and name H   ))
 OR {  298}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 29   and name H   ))
 OR {  298}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 60   and name H   ))
 OR {  298}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 60   and name H   ))
 ASSI {  300}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 56   and name HD2 ))
      3.800     1.800     1.800 peak   300 spectrum    1 weight  0.10000E+01 volume  0.14048E-02 ppm1      2.040 ppm2      3.650 CV     1
 OR {  300}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HD2 ))
 OR {  300}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 60   and name HB2 ))
 OR {  300}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 26   and name HA  ))
 OR {  300}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 59   and name HD2 ))
 OR {  300}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 5    and name HD2 ))
 OR {  300}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 17   and name HD3 ))
 OR {  300}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 23   and name HA  ))
 OR {  300}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 56   and name HD2 ))
 OR {  300}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 53   and name HB3 ))
 OR {  300}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 60   and name HB2 ))
 OR {  300}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 53   and name HB3 ))
 OR {  300}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 53   and name HB3 ))
 OR {  300}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 5    and name HD2 ))
 OR {  300}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 56   and name HD2 ))
 OR {  300}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 17   and name HD3 ))
 OR {  300}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 26   and name HA  ))
 OR {  300}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 5    and name HD2 ))
 OR {  300}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 59   and name HD2 ))
 OR {  300}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 23   and name HA  ))
 OR {  300}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 17   and name HD3 ))
 OR {  300}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 60   and name HB2 ))
 OR {  300}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 26   and name HA  ))
 OR {  300}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 23   and name HA  ))
 OR {  300}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 88   and name HA3 ))
 OR {  300}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 88   and name HA2 ))
 OR {  300}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 88   and name HA3 ))
 OR {  300}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 88   and name HA2 ))
 OR {  300}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 88   and name HA2 ))
 OR {  300}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 88   and name HA3 ))
 ASSI {  301}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 50   and name HD3 ))
      2.500     0.800     0.800 peak   301 spectrum    1 weight  0.10000E+01 volume  0.35314E-02 ppm1      1.866 ppm2      3.043 CV     1
 OR {  301}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 50   and name HD2 ))
 OR {  301}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 46   and name HB3 ))
 OR {  301}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 58   and name HB3 ))
 OR {  301}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 39   and name HB2 ))
 OR {  301}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 14   and name HB2 ))
 OR {  301}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 14   and name HB3 ))
 OR {  301}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 64   and name HB3 ))
 OR {  301}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 24   and name HD3 ))
 OR {  301}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 1    and name HB2 ))
 OR {  301}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 65   and name HB3 ))
 OR {  301}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 67   and name HB3 ))
 OR {  301}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 70   and name HD2 ))
 OR {  301}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 70   and name HD3 ))
 OR {  301}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 73   and name HB2 ))
 OR {  301}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 81   and name HB2 ))
 OR {  301}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 85   and name HD3 ))
 OR {  301}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 85   and name HD2 ))
 ASSI {  302}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 50   and name HD3 ))
      3.600     1.700     1.700 peak   302 spectrum    1 weight  0.10000E+01 volume  0.27819E-02 ppm1      1.801 ppm2      3.051 CV     1
 OR {  302}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 50   and name HD2 ))
 OR {  302}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 46   and name HB3 ))
 OR {  302}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 58   and name HB3 ))
 OR {  302}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 39   and name HB2 ))
 OR {  302}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 14   and name HB2 ))
 OR {  302}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 14   and name HB3 ))
 OR {  302}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 64   and name HB3 ))
 OR {  302}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 65   and name HB3 ))
 OR {  302}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 1    and name HB3 ))
 OR {  302}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 24   and name HD3 ))
 OR {  302}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 1    and name HB2 ))
 OR {  302}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 67   and name HB3 ))
 OR {  302}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 70   and name HD2 ))
 OR {  302}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 70   and name HD3 ))
 OR {  302}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 73   and name HB2 ))
 OR {  302}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 81   and name HB2 ))
 OR {  302}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 85   and name HD3 ))
 OR {  302}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 85   and name HD2 ))
 ASSI {  303}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 28   and name HB2 ))
      1.600     0.300     0.600 peak   303 spectrum    1 weight  0.10000E+01 volume  0.19235E-01 ppm1      1.845 ppm2      2.051 CV     1
 OR {  303}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 56   and name HB2 ))
 OR {  303}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {  303}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 30   and name HG3 ))
 OR {  303}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 17   and name HG3 ))
 OR {  303}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 25   and name HB3 ))
 OR {  303}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 56   and name HB2 ))
 OR {  303}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 30   and name HG3 ))
 OR {  303}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 33   and name HB2 ))
 OR {  303}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 12   and name HB3 ))
 OR {  303}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 56   and name HB2 ))
 OR {  303}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 59   and name HG3 ))
 OR {  303}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {  303}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 17   and name HG3 ))
 OR {  303}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 33   and name HB2 ))
 OR {  303}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 28   and name HB2 ))
 OR {  303}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 33   and name HG3 ))
 OR {  303}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 59   and name HB2 ))
 OR {  303}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 33   and name HG3 ))
 OR {  303}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 12   and name HB3 ))
 OR {  303}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 25   and name HB3 ))
 OR {  303}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 12   and name HB3 ))
 OR {  303}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 12   and name HB3 ))
 OR {  303}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 33   and name HG3 ))
 OR {  303}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 59   and name HG3 ))
 OR {  303}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 33   and name HB2 ))
 OR {  303}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 33   and name HG3 ))
 OR {  303}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 59   and name HG3 ))
 OR {  303}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 59   and name HB2 ))
 OR {  303}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 33   and name HB2 ))
 OR {  303}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 59   and name HB2 ))
 OR {  303}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 12   and name HB3 ))
 OR {  303}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {  303}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 30   and name HG3 ))
 OR {  303}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 33   and name HG3 ))
 OR {  303}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 30   and name HG3 ))
 OR {  303}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 33   and name HB2 ))
 OR {  303}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 28   and name HB2 ))
 OR {  303}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {  303}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 28   and name HB2 ))
 OR {  303}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {  303}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 17   and name HG3 ))
 OR {  303}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {  303}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 17   and name HG3 ))
 OR {  303}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {  303}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 56   and name HB2 ))
 OR {  303}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 30   and name HG3 ))
 OR {  303}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 25   and name HB3 ))
 OR {  303}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 25   and name HB3 ))
 OR {  303}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 56   and name HB2 ))
 OR {  303}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 28   and name HB2 ))
 OR {  303}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {  303}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 17   and name HG3 ))
 OR {  303}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 59   and name HG3 ))
 OR {  303}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 25   and name HB3 ))
 OR {  303}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 59   and name HB2 ))
 OR {  303}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 59   and name HG3 ))
 OR {  303}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 59   and name HB2 ))
 OR {  303}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {  303}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {  303}
   (( segid "    " and resid 56   and name HB3 ))
   (  segid "    " and resid 83   and name HE% )
 OR {  303}
   (( segid "    " and resid 50   and name HB2 ))
   (  segid "    " and resid 83   and name HE% )
 OR {  303}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 83   and name HB3 ))
 OR {  303}
   (( segid "    " and resid 50   and name HB3 ))
   (  segid "    " and resid 83   and name HE% )
 OR {  303}
   (( segid "    " and resid 56   and name HB3 ))
   (  segid "    " and resid 87   and name HE% )
 OR {  303}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 83   and name HB3 ))
 OR {  303}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 83   and name HB3 ))
 OR {  303}
   (( segid "    " and resid 50   and name HB2 ))
   (  segid "    " and resid 87   and name HE% )
 OR {  303}
   (( segid "    " and resid 50   and name HB3 ))
   (  segid "    " and resid 87   and name HE% )
 OR {  303}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 87   and name HB2 ))
 OR {  303}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 87   and name HB2 ))
 OR {  303}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 87   and name HB2 ))
 OR {  303}
   (( segid "    " and resid 15   and name HB3 ))
   (  segid "    " and resid 83   and name HE% )
 OR {  303}
   (( segid "    " and resid 28   and name HB3 ))
   (  segid "    " and resid 83   and name HE% )
 OR {  303}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 83   and name HB3 ))
 OR {  303}
   (( segid "    " and resid 15   and name HB3 ))
   (  segid "    " and resid 87   and name HE% )
 OR {  303}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 83   and name HB3 ))
 OR {  303}
   (( segid "    " and resid 28   and name HB3 ))
   (  segid "    " and resid 87   and name HE% )
 OR {  303}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 87   and name HB2 ))
 OR {  303}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 87   and name HB2 ))
 ASSI {  304}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HB3 ))
      1.700     0.300     0.500 peak   304 spectrum    1 weight  0.10000E+01 volume  0.18285E-01 ppm1      2.048 ppm2      1.847 CV     1
 OR {  304}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 56   and name HB3 ))
 OR {  304}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 29   and name HB  ))
 OR {  304}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 27   and name HB  ))
 OR {  304}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 47   and name HB3 ))
 OR {  304}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 5    and name HB3 ))
 OR {  304}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 50   and name HB2 ))
 OR {  304}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 17   and name HG2 ))
 OR {  304}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 24   and name HB2 ))
 OR {  304}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 50   and name HB3 ))
 OR {  304}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 4    and name HB2 ))
 OR {  304}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 15   and name HB3 ))
 OR {  304}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 32   and name HB3 ))
 OR {  304}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 32   and name HB2 ))
 OR {  304}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 12   and name HB2 ))
 OR {  304}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 41   and name HB3 ))
 OR {  304}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 41   and name HG3 ))
 OR {  304}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 41   and name HB2 ))
 OR {  304}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 41   and name HB2 ))
 OR {  304}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 41   and name HB3 ))
 OR {  304}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 41   and name HG3 ))
 OR {  304}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 12   and name HB2 ))
 OR {  304}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 50   and name HB3 ))
 OR {  304}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 50   and name HB2 ))
 OR {  304}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 47   and name HB3 ))
 OR {  304}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 32   and name HB2 ))
 OR {  304}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 32   and name HB3 ))
 OR {  304}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 15   and name HB3 ))
 OR {  304}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 5    and name HB3 ))
 OR {  304}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 29   and name HB  ))
 OR {  304}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 4    and name HB2 ))
 OR {  304}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 28   and name HB3 ))
 OR {  304}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 56   and name HB3 ))
 OR {  304}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 27   and name HB  ))
 OR {  304}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 17   and name HG2 ))
 OR {  304}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 68   and name HG2 ))
 OR {  304}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 68   and name HB2 ))
 OR {  304}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 24   and name HB2 ))
 OR {  304}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 77   and name HG2 ))
 OR {  304}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 77   and name HG3 ))
 OR {  304}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 68   and name HG2 ))
 OR {  304}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 68   and name HB2 ))
 OR {  304}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 77   and name HG2 ))
 OR {  304}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 77   and name HG3 ))
 ASSI {  305}
   (( segid "    " and resid 25   and name HB3 ))
   (  segid "    " and resid 27   and name HD1%)
      3.100     1.200     1.200 peak   305 spectrum    1 weight  0.10000E+01 volume  0.48696E-02 ppm1      2.042 ppm2      0.718 CV     1
 OR {  305}
   (( segid "    " and resid 25   and name HB3 ))
   (  segid "    " and resid 26   and name HG2%)
 OR {  305}
   (( segid "    " and resid 25   and name HB3 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  305}
   (( segid "    " and resid 83   and name HB3 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  305}
   (( segid "    " and resid 87   and name HB2 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  305}
   (( segid "    " and resid 25   and name HB3 ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  305}
   (( segid "    " and resid 25   and name HB3 ))
   (  segid "    " and resid 22   and name HD2%)
 OR {  305}
   (( segid "    " and resid 25   and name HB3 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  305}
   (( segid "    " and resid 83   and name HB3 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  305}
   (( segid "    " and resid 83   and name HB3 ))
   (  segid "    " and resid 79   and name HD1%)
 OR {  305}
   (( segid "    " and resid 25   and name HB3 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  305}
   (( segid "    " and resid 25   and name HB3 ))
   (  segid "    " and resid 31   and name HD1%)
 OR {  305}
   (( segid "    " and resid 25   and name HB3 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  305}
   (( segid "    " and resid 87   and name HB2 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  305}
   (( segid "    " and resid 87   and name HB2 ))
   (  segid "    " and resid 79   and name HD1%)
 OR {  305}
   (( segid "    " and resid 25   and name HB3 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  305}
   (( segid "    " and resid 25   and name HB3 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  305}
   (( segid "    " and resid 25   and name HB3 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  305}
   (( segid "    " and resid 83   and name HB3 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  305}
   (( segid "    " and resid 83   and name HB3 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  305}
   (( segid "    " and resid 25   and name HB3 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  305}
   (( segid "    " and resid 25   and name HB3 ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  305}
   (( segid "    " and resid 25   and name HB3 ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  305}
   (( segid "    " and resid 87   and name HB2 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  305}
   (( segid "    " and resid 87   and name HB2 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  305}
   (( segid "    " and resid 83   and name HB3 ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  305}
   (( segid "    " and resid 83   and name HB3 ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  305}
   (( segid "    " and resid 83   and name HB3 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  305}
   (( segid "    " and resid 25   and name HB3 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  305}
   (( segid "    " and resid 25   and name HB3 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  305}
   (( segid "    " and resid 83   and name HB3 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  305}
   (( segid "    " and resid 87   and name HB2 ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  305}
   (( segid "    " and resid 87   and name HB2 ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  305}
   (( segid "    " and resid 87   and name HB2 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  305}
   (( segid "    " and resid 83   and name HB3 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  305}
   (( segid "    " and resid 83   and name HB3 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  305}
   (( segid "    " and resid 87   and name HB2 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  305}
   (( segid "    " and resid 83   and name HB3 ))
   (  segid "    " and resid 31   and name HD1%)
 OR {  305}
   (( segid "    " and resid 25   and name HB3 ))
   (  segid "    " and resid 79   and name HD1%)
 OR {  305}
   (( segid "    " and resid 83   and name HB3 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  305}
   (( segid "    " and resid 25   and name HB3 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  305}
   (( segid "    " and resid 87   and name HB2 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  305}
   (( segid "    " and resid 87   and name HB2 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  305}
   (( segid "    " and resid 83   and name HB3 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  305}
   (( segid "    " and resid 83   and name HB3 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  305}
   (( segid "    " and resid 83   and name HB3 ))
   (  segid "    " and resid 26   and name HG2%)
 OR {  305}
   (( segid "    " and resid 83   and name HB3 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  305}
   (( segid "    " and resid 87   and name HB2 ))
   (  segid "    " and resid 31   and name HD1%)
 OR {  305}
   (( segid "    " and resid 83   and name HB3 ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  305}
   (( segid "    " and resid 87   and name HB2 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  305}
   (( segid "    " and resid 25   and name HB3 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  305}
   (( segid "    " and resid 83   and name HB3 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  305}
   (( segid "    " and resid 83   and name HB3 ))
   (  segid "    " and resid 22   and name HD2%)
 OR {  305}
   (( segid "    " and resid 87   and name HB2 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  305}
   (( segid "    " and resid 87   and name HB2 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  305}
   (( segid "    " and resid 87   and name HB2 ))
   (  segid "    " and resid 26   and name HG2%)
 OR {  305}
   (( segid "    " and resid 87   and name HB2 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  305}
   (( segid "    " and resid 87   and name HB2 ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  305}
   (( segid "    " and resid 87   and name HB2 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  305}
   (( segid "    " and resid 87   and name HB2 ))
   (  segid "    " and resid 22   and name HD2%)
 ASSI {  306}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 57   and name H   ))
      4.100     2.100     1.900 peak   306 spectrum    1 weight  0.10000E+01 volume  0.12104E-02 ppm1      1.381 ppm2      0.591 CV     1
 OR {  306}
   (( segid "    " and resid 56   and name HG2 ))
   (  segid "    " and resid 45   and name HD1%)
 OR {  306}
   (( segid "    " and resid 56   and name HG2 ))
   (  segid "    " and resid 45   and name HD2%)
 OR {  306}
   (( segid "    " and resid 56   and name HG2 ))
   (  segid "    " and resid 52   and name HG2%)
 OR {  306}
   (( segid "    " and resid 56   and name HG2 ))
   (  segid "    " and resid 13   and name HD2%)
 OR {  306}
   (( segid "    " and resid 56   and name HG2 ))
   (  segid "    " and resid 31   and name HD1%)
 OR {  306}
   (( segid "    " and resid 56   and name HG2 ))
   (  segid "    " and resid 22   and name HD2%)
 ASSI {  307}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 56   and name HG2 ))
      1.800     0.400     0.400 peak   307 spectrum    1 weight  0.10000E+01 volume  0.12299E-01 ppm1      1.685 ppm2      1.373 CV     1
 OR {  307}
   (( segid "    " and resid 56   and name HG3 ))
   (  segid "    " and resid 48   and name HB% )
 OR {  307}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 61   and name HB2 ))
 OR {  307}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 40   and name HB2 ))
 OR {  307}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 15   and name HB2 ))
 OR {  307}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 15   and name HG3 ))
 OR {  307}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 25   and name HG2 ))
 OR {  307}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 23   and name HG  ))
 OR {  307}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 22   and name HG  ))
 OR {  307}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 21   and name HG2 ))
 OR {  307}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 71   and name HG3 ))
 OR {  307}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 72   and name HB2 ))
 OR {  307}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 72   and name HG  ))
 OR {  307}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 78   and name HG2 ))
 OR {  307}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 78   and name HG3 ))
 OR {  307}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 79   and name HG  ))
 OR {  307}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 79   and name HB2 ))
 OR {  307}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 86   and name HG2 ))
 OR {  307}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 86   and name HG3 ))
 ASSI {  308}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 56   and name HB2 ))
      2.900     1.000     1.000 peak   308 spectrum    1 weight  0.10000E+01 volume  0.39700E-02 ppm1      1.683 ppm2      2.049 CV     1
 OR {  308}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 59   and name HG3 ))
 OR {  308}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 59   and name HG2 ))
 OR {  308}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 59   and name HB2 ))
 OR {  308}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 12   and name HB3 ))
 OR {  308}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {  308}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 33   and name HG3 ))
 OR {  308}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 33   and name HB2 ))
 OR {  308}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 28   and name HB2 ))
 OR {  308}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {  308}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 17   and name HG3 ))
 OR {  308}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 25   and name HB3 ))
 OR {  308}
   (( segid "    " and resid 56   and name HG3 ))
   (  segid "    " and resid 83   and name HE% )
 OR {  308}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 83   and name HB3 ))
 OR {  308}
   (( segid "    " and resid 56   and name HG3 ))
   (  segid "    " and resid 87   and name HE% )
 OR {  308}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 87   and name HB2 ))
 ASSI {  309}
   (( segid "    " and resid 15   and name HG3 ))
   (( segid "    " and resid 15   and name HD2 ))
      2.600     0.800     0.800 peak   309 spectrum    1 weight  0.10000E+01 volume  0.53471E-02 ppm1      1.382 ppm2      2.823 CV     1
 OR {  309}
   (( segid "    " and resid 15   and name HG3 ))
   (( segid "    " and resid 15   and name HD3 ))
 OR {  309}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 55   and name HB2 ))
 OR {  309}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 58   and name HB2 ))
 OR {  309}
   (( segid "    " and resid 15   and name HG3 ))
   (( segid "    " and resid 16   and name HE2 ))
 OR {  309}
   (( segid "    " and resid 15   and name HG3 ))
   (( segid "    " and resid 16   and name HE3 ))
 OR {  309}
   (( segid "    " and resid 15   and name HG3 ))
   (( segid "    " and resid 9    and name HB3 ))
 OR {  309}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 9    and name HB3 ))
 OR {  309}
   (( segid "    " and resid 15   and name HG3 ))
   (( segid "    " and resid 55   and name HB2 ))
 OR {  309}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 15   and name HD3 ))
 OR {  309}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 15   and name HD2 ))
 OR {  309}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 16   and name HE3 ))
 OR {  309}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 16   and name HE2 ))
 OR {  309}
   (( segid "    " and resid 15   and name HG3 ))
   (( segid "    " and resid 58   and name HB2 ))
 OR {  309}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 71   and name HE2 ))
 OR {  309}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 71   and name HE3 ))
 OR {  309}
   (( segid "    " and resid 15   and name HG3 ))
   (( segid "    " and resid 71   and name HE3 ))
 OR {  309}
   (( segid "    " and resid 15   and name HG3 ))
   (( segid "    " and resid 71   and name HE2 ))
 ASSI {  310}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 24   and name HD2 ))
      2.400     0.700     0.700 peak   310 spectrum    1 weight  0.10000E+01 volume  0.41089E-02 ppm1      1.683 ppm2      3.114 CV     1
 OR {  310}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 24   and name HD3 ))
 OR {  310}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 58   and name HB3 ))
 OR {  310}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 50   and name HD3 ))
 OR {  310}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 46   and name HB2 ))
 OR {  310}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 1    and name HB3 ))
 OR {  310}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 1    and name HB2 ))
 OR {  310}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 14   and name HB3 ))
 OR {  310}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 14   and name HB2 ))
 OR {  310}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 38   and name HB3 ))
 OR {  310}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 39   and name HB2 ))
 OR {  310}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 38   and name HB3 ))
 OR {  310}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 39   and name HB2 ))
 OR {  310}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 14   and name HB2 ))
 OR {  310}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 14   and name HB3 ))
 OR {  310}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 64   and name HB2 ))
 OR {  310}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 65   and name HB2 ))
 OR {  310}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 67   and name HB3 ))
 OR {  310}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 67   and name HB2 ))
 OR {  310}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 50   and name HD3 ))
 OR {  310}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 46   and name HB2 ))
 OR {  310}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 1    and name HB3 ))
 OR {  310}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 1    and name HB2 ))
 OR {  310}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 24   and name HD3 ))
 OR {  310}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 24   and name HD2 ))
 OR {  310}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 70   and name HD2 ))
 OR {  310}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 70   and name HD3 ))
 OR {  310}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 58   and name HB3 ))
 OR {  310}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 73   and name HB2 ))
 OR {  310}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 64   and name HB2 ))
 OR {  310}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 65   and name HB2 ))
 OR {  310}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 67   and name HB3 ))
 OR {  310}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 81   and name HB2 ))
 OR {  310}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 67   and name HB2 ))
 OR {  310}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 70   and name HD2 ))
 OR {  310}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 70   and name HD3 ))
 OR {  310}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 85   and name HD3 ))
 OR {  310}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 85   and name HD2 ))
 OR {  310}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 73   and name HB2 ))
 OR {  310}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 81   and name HB2 ))
 OR {  310}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 85   and name HD3 ))
 OR {  310}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 85   and name HD2 ))
 ASSI {  311}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 24   and name HD2 ))
      2.700     0.900     0.900 peak   311 spectrum    1 weight  0.10000E+01 volume  0.48584E-02 ppm1      1.761 ppm2      3.097 CV     1
 OR {  311}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 24   and name HD3 ))
 OR {  311}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 1    and name HB3 ))
 OR {  311}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 1    and name HB2 ))
 OR {  311}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 14   and name HB3 ))
 OR {  311}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 14   and name HB2 ))
 OR {  311}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 38   and name HB3 ))
 OR {  311}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 39   and name HB2 ))
 OR {  311}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 50   and name HD3 ))
 OR {  311}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 46   and name HB2 ))
 OR {  311}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 50   and name HD2 ))
 OR {  311}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 46   and name HB3 ))
 OR {  311}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 58   and name HB3 ))
 OR {  311}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 64   and name HB2 ))
 OR {  311}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 65   and name HB2 ))
 OR {  311}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 67   and name HB3 ))
 OR {  311}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 70   and name HD2 ))
 OR {  311}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 70   and name HD3 ))
 OR {  311}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 73   and name HB2 ))
 OR {  311}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 81   and name HB2 ))
 OR {  311}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 85   and name HD3 ))
 OR {  311}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 85   and name HD2 ))
 ASSI {  312}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 49   and name HE22))
      3.700     1.700     1.700 peak   312 spectrum    1 weight  0.10000E+01 volume  0.12271E-02 ppm1      1.688 ppm2      6.861 CV     1
 OR {  312}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 57   and name HE22))
 OR {  312}
   (( segid "    " and resid 56   and name HG3 ))
   (  segid "    " and resid 43   and name HD% )
 OR {  312}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 12   and name HE21))
 OR {  312}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 12   and name HE21))
 OR {  312}
   (( segid "    " and resid 24   and name HG3 ))
   (  segid "    " and resid 43   and name HD% )
 OR {  312}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 64   and name HD1 ))
 OR {  312}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 63   and name HE22))
 OR {  312}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 64   and name HH2 ))
 OR {  312}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 65   and name HZ  ))
 OR {  312}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 49   and name HE22))
 OR {  312}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 57   and name HE22))
 OR {  312}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 64   and name HD1 ))
 OR {  312}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 63   and name HE22))
 OR {  312}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 64   and name HH2 ))
 OR {  312}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 65   and name HZ  ))
 OR {  312}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 80   and name HD22))
 OR {  312}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 80   and name HD22))
 ASSI {  313}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 57   and name HE22))
      4.000     2.000     2.000 peak   313 spectrum    1 weight  0.10000E+01 volume  0.87730E-03 ppm1      1.388 ppm2      6.852 CV     1
 OR {  313}
   (( segid "    " and resid 15   and name HG3 ))
   (( segid "    " and resid 12   and name HE21))
 OR {  313}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 49   and name HE22))
 OR {  313}
   (( segid "    " and resid 56   and name HG2 ))
   (  segid "    " and resid 43   and name HD% )
 OR {  313}
   (( segid "    " and resid 15   and name HG3 ))
   (  segid "    " and resid 43   and name HD% )
 OR {  313}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 12   and name HE21))
 OR {  313}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 64   and name HD1 ))
 OR {  313}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 63   and name HE22))
 OR {  313}
   (( segid "    " and resid 15   and name HG3 ))
   (( segid "    " and resid 49   and name HE22))
 OR {  313}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 64   and name HH2 ))
 OR {  313}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 65   and name HZ  ))
 OR {  313}
   (( segid "    " and resid 15   and name HG3 ))
   (( segid "    " and resid 57   and name HE22))
 OR {  313}
   (( segid "    " and resid 15   and name HG3 ))
   (( segid "    " and resid 64   and name HD1 ))
 OR {  313}
   (( segid "    " and resid 15   and name HG3 ))
   (( segid "    " and resid 63   and name HE22))
 OR {  313}
   (( segid "    " and resid 15   and name HG3 ))
   (( segid "    " and resid 64   and name HH2 ))
 OR {  313}
   (( segid "    " and resid 15   and name HG3 ))
   (( segid "    " and resid 65   and name HZ  ))
 OR {  313}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 80   and name HD22))
 OR {  313}
   (( segid "    " and resid 15   and name HG3 ))
   (( segid "    " and resid 80   and name HD22))
 ASSI {  314}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 24   and name H   ))
      2.500     0.800     0.800 peak   314 spectrum    1 weight  0.10000E+01 volume  0.34758E-02 ppm1      1.685 ppm2      7.730 CV     1
 OR {  314}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 23   and name H   ))
 OR {  314}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 55   and name HE1 ))
 OR {  314}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 41   and name HE21))
 OR {  314}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 12   and name H   ))
 OR {  314}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 12   and name H   ))
 OR {  314}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 64   and name H   ))
 OR {  314}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 41   and name HE21))
 OR {  314}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 55   and name HE1 ))
 OR {  314}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 24   and name H   ))
 OR {  314}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 23   and name H   ))
 OR {  314}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 64   and name H   ))
 ASSI {  315}
   (  segid "    " and resid 81   and name HD% )
   (  segid "    " and resid 79   and name HD2%)
      2.300     0.700     0.700 peak   315 spectrum    1 weight  0.10000E+01 volume  0.23765E-02 ppm1      7.092 ppm2      0.772 CV     1
 OR {  315}
   (  segid "    " and resid 81   and name HD% )
   (  segid "    " and resid 84   and name HD2%)
 OR {  315}
   (  segid "    " and resid 81   and name HD% )
   (  segid "    " and resid 84   and name HD1%)
 OR {  315}
   (  segid "    " and resid 81   and name HD% )
   (  segid "    " and resid 76   and name HD1%)
 OR {  315}
   (  segid "    " and resid 81   and name HD% )
   (  segid "    " and resid 76   and name HD2%)
 OR {  315}
   (  segid "    " and resid 81   and name HD% )
   (  segid "    " and resid 72   and name HD1%)
 OR {  315}
   (  segid "    " and resid 81   and name HD% )
   (  segid "    " and resid 72   and name HD2%)
 OR {  315}
   (  segid "    " and resid 81   and name HD% )
   (  segid "    " and resid 47   and name HD2%)
 OR {  315}
   (  segid "    " and resid 81   and name HD% )
   (  segid "    " and resid 47   and name HD1%)
 OR {  315}
   (  segid "    " and resid 81   and name HD% )
   (  segid "    " and resid 54   and name HD1%)
 OR {  315}
   (  segid "    " and resid 81   and name HD% )
   (  segid "    " and resid 44   and name HG2%)
 OR {  315}
   (  segid "    " and resid 81   and name HD% )
   (  segid "    " and resid 40   and name HD2%)
 OR {  315}
   (  segid "    " and resid 81   and name HD% )
   (  segid "    " and resid 40   and name HD1%)
 OR {  315}
   (  segid "    " and resid 81   and name HD% )
   (( segid "    " and resid 52   and name HG13))
 OR {  315}
   (  segid "    " and resid 81   and name HD% )
   (  segid "    " and resid 29   and name HG1%)
 OR {  315}
   (  segid "    " and resid 81   and name HD% )
   (  segid "    " and resid 27   and name HD1%)
 OR {  315}
   (  segid "    " and resid 81   and name HD% )
   (  segid "    " and resid 2    and name HD1%)
 OR {  315}
   (  segid "    " and resid 81   and name HD% )
   (  segid "    " and resid 2    and name HD2%)
 OR {  315}
   (  segid "    " and resid 81   and name HD% )
   (  segid "    " and resid 18   and name HD2%)
 OR {  315}
   (  segid "    " and resid 81   and name HD% )
   (  segid "    " and resid 22   and name HD1%)
 OR {  315}
   (  segid "    " and resid 81   and name HD% )
   (( segid "    " and resid 23   and name HB3 ))
 ASSI {  316}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 44   and name HG2%)
      3.100     1.200     1.200 peak   316 spectrum    1 weight  0.10000E+01 volume  0.37256E-02 ppm1      7.167 ppm2      0.743 CV     1
 OR {  316}
   (  segid "    " and resid 81   and name HE% )
   (  segid "    " and resid 79   and name HD2%)
 OR {  316}
   (  segid "    " and resid 81   and name HE% )
   (  segid "    " and resid 79   and name HD1%)
 OR {  316}
   (  segid "    " and resid 81   and name HE% )
   (  segid "    " and resid 84   and name HD2%)
 OR {  316}
   (  segid "    " and resid 81   and name HE% )
   (  segid "    " and resid 84   and name HD1%)
 OR {  316}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 54   and name HD1%)
 OR {  316}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 40   and name HD2%)
 OR {  316}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 47   and name HD1%)
 OR {  316}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 47   and name HD2%)
 OR {  316}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 40   and name HD1%)
 OR {  316}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 29   and name HG1%)
 OR {  316}
   (  segid "    " and resid 81   and name HE% )
   (  segid "    " and resid 76   and name HD1%)
 OR {  316}
   (  segid "    " and resid 81   and name HE% )
   (  segid "    " and resid 76   and name HD2%)
 OR {  316}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 27   and name HD1%)
 OR {  316}
   (  segid "    " and resid 65   and name HD% )
   (  segid "    " and resid 72   and name HD2%)
 OR {  316}
   (  segid "    " and resid 65   and name HD% )
   (  segid "    " and resid 72   and name HD1%)
 OR {  316}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 26   and name HG2%)
 OR {  316}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 18   and name HD2%)
 OR {  316}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 2    and name HD1%)
 OR {  316}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 18   and name HD1%)
 OR {  316}
   (  segid "    " and resid 81   and name HE% )
   (  segid "    " and resid 72   and name HD1%)
 OR {  316}
   (  segid "    " and resid 81   and name HE% )
   (  segid "    " and resid 72   and name HD2%)
 OR {  316}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 22   and name HD1%)
 OR {  316}
   (  segid "    " and resid 65   and name HD% )
   (  segid "    " and resid 47   and name HD2%)
 OR {  316}
   (  segid "    " and resid 65   and name HD% )
   (  segid "    " and resid 76   and name HD2%)
 OR {  316}
   (  segid "    " and resid 65   and name HD% )
   (  segid "    " and resid 76   and name HD1%)
 OR {  316}
   (  segid "    " and resid 65   and name HD% )
   (  segid "    " and resid 47   and name HD1%)
 OR {  316}
   (  segid "    " and resid 65   and name HD% )
   (  segid "    " and resid 54   and name HD1%)
 OR {  316}
   (  segid "    " and resid 65   and name HD% )
   (  segid "    " and resid 44   and name HG2%)
 OR {  316}
   (  segid "    " and resid 65   and name HD% )
   (  segid "    " and resid 79   and name HD1%)
 OR {  316}
   (  segid "    " and resid 65   and name HD% )
   (  segid "    " and resid 79   and name HD2%)
 OR {  316}
   (  segid "    " and resid 65   and name HD% )
   (  segid "    " and resid 40   and name HD2%)
 OR {  316}
   (  segid "    " and resid 65   and name HD% )
   (  segid "    " and resid 40   and name HD1%)
 OR {  316}
   (  segid "    " and resid 65   and name HD% )
   (  segid "    " and resid 84   and name HD2%)
 OR {  316}
   (  segid "    " and resid 65   and name HD% )
   (  segid "    " and resid 84   and name HD1%)
 OR {  316}
   (  segid "    " and resid 65   and name HD% )
   (  segid "    " and resid 29   and name HG1%)
 OR {  316}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 72   and name HD2%)
 OR {  316}
   (  segid "    " and resid 65   and name HD% )
   (  segid "    " and resid 27   and name HD1%)
 OR {  316}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 72   and name HD1%)
 OR {  316}
   (  segid "    " and resid 65   and name HD% )
   (  segid "    " and resid 2    and name HD1%)
 OR {  316}
   (  segid "    " and resid 65   and name HD% )
   (  segid "    " and resid 26   and name HG2%)
 OR {  316}
   (  segid "    " and resid 65   and name HD% )
   (  segid "    " and resid 18   and name HD2%)
 OR {  316}
   (  segid "    " and resid 65   and name HD% )
   (  segid "    " and resid 18   and name HD1%)
 OR {  316}
   (  segid "    " and resid 65   and name HD% )
   (  segid "    " and resid 22   and name HD1%)
 OR {  316}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 76   and name HD2%)
 OR {  316}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 76   and name HD1%)
 OR {  316}
   (  segid "    " and resid 81   and name HE% )
   (  segid "    " and resid 47   and name HD2%)
 OR {  316}
   (  segid "    " and resid 81   and name HE% )
   (  segid "    " and resid 47   and name HD1%)
 OR {  316}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 79   and name HD1%)
 OR {  316}
   (  segid "    " and resid 81   and name HE% )
   (  segid "    " and resid 54   and name HD1%)
 OR {  316}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 79   and name HD2%)
 OR {  316}
   (  segid "    " and resid 81   and name HE% )
   (  segid "    " and resid 44   and name HG2%)
 OR {  316}
   (  segid "    " and resid 81   and name HE% )
   (  segid "    " and resid 40   and name HD2%)
 OR {  316}
   (  segid "    " and resid 81   and name HE% )
   (  segid "    " and resid 40   and name HD1%)
 OR {  316}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 84   and name HD2%)
 OR {  316}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 84   and name HD1%)
 OR {  316}
   (  segid "    " and resid 81   and name HE% )
   (  segid "    " and resid 29   and name HG1%)
 OR {  316}
   (  segid "    " and resid 81   and name HE% )
   (  segid "    " and resid 27   and name HD1%)
 OR {  316}
   (  segid "    " and resid 81   and name HE% )
   (  segid "    " and resid 2    and name HD1%)
 OR {  316}
   (  segid "    " and resid 81   and name HE% )
   (  segid "    " and resid 26   and name HG2%)
 OR {  316}
   (  segid "    " and resid 81   and name HE% )
   (  segid "    " and resid 18   and name HD2%)
 OR {  316}
   (  segid "    " and resid 81   and name HE% )
   (  segid "    " and resid 18   and name HD1%)
 OR {  316}
   (  segid "    " and resid 81   and name HE% )
   (  segid "    " and resid 22   and name HD1%)
 ASSI {  317}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HB2 ))
      2.900     1.000     1.000 peak   317 spectrum    1 weight  0.10000E+01 volume  0.31317E-02 ppm1      4.334 ppm2      2.838 CV     1
 OR {  317}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HD2 ))
 OR {  317}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HD3 ))
 OR {  317}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 16   and name HE2 ))
 OR {  317}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 16   and name HE3 ))
 OR {  317}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 58   and name HB2 ))
 OR {  317}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 9    and name HB3 ))
 OR {  317}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 9    and name HB3 ))
 OR {  317}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 55   and name HB2 ))
 OR {  317}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 15   and name HD3 ))
 OR {  317}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 15   and name HD2 ))
 OR {  317}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 16   and name HE3 ))
 OR {  317}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 16   and name HE2 ))
 OR {  317}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 58   and name HB2 ))
 OR {  317}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 71   and name HE2 ))
 OR {  317}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 71   and name HE3 ))
 OR {  317}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 81   and name HB3 ))
 OR {  317}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 71   and name HE2 ))
 OR {  317}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 71   and name HE3 ))
 OR {  317}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 81   and name HB3 ))
 ASSI {  318}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 56   and name HD3 ))
      2.500     0.800     0.800 peak   318 spectrum    1 weight  0.10000E+01 volume  0.28651E-02 ppm1      4.342 ppm2      2.326 CV     1
 OR {  318}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 49   and name HG2 ))
 OR {  318}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 57   and name HG3 ))
 OR {  318}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 49   and name HG3 ))
 OR {  318}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 57   and name HB2 ))
 OR {  318}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 57   and name HG2 ))
 OR {  318}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 59   and name HB3 ))
 OR {  318}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 41   and name HG2 ))
 OR {  318}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 12   and name HG2 ))
 OR {  318}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 12   and name HG3 ))
 OR {  318}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 32   and name HG2 ))
 OR {  318}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 4    and name HB3 ))
 OR {  318}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 28   and name HG2 ))
 OR {  318}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 66   and name HG3 ))
 ASSI {  319}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB2 ))
      2.200     0.600     0.600 peak   319 spectrum    1 weight  0.10000E+01 volume  0.46362E-02 ppm1      4.337 ppm2      1.412 CV     1
 OR {  319}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HG3 ))
 OR {  319}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HG2 ))
 OR {  319}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 2    and name HB3 ))
 OR {  319}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 2    and name HB2 ))
 OR {  319}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 2    and name HG  ))
 OR {  319}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 27   and name HG12))
 OR {  319}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 40   and name HB2 ))
 OR {  319}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 25   and name HG2 ))
 OR {  319}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 23   and name HB2 ))
 OR {  319}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 23   and name HG  ))
 OR {  319}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 22   and name HG  ))
 OR {  319}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 21   and name HG2 ))
 OR {  319}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 48   and name HB% )
 OR {  319}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 50   and name HG2 ))
 OR {  319}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 56   and name HG2 ))
 OR {  319}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 61   and name HB2 ))
 OR {  319}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 72   and name HB2 ))
 OR {  319}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 72   and name HG  ))
 OR {  319}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 76   and name HB3 ))
 OR {  319}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 78   and name HG3 ))
 OR {  319}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 79   and name HG  ))
 OR {  319}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 79   and name HB2 ))
 OR {  319}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 86   and name HG2 ))
 OR {  319}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 86   and name HG3 ))
 ASSI {  320}
   (( segid "    " and resid 55   and name HA  ))
   (  segid "    " and resid 42   and name HB% )
      2.200     0.600     0.600 peak   320 spectrum    1 weight  0.10000E+01 volume  0.13159E-02 ppm1      4.342 ppm2      1.103 CV     1
 OR {  320}
   (( segid "    " and resid 55   and name HA  ))
   (  segid "    " and resid 11   and name HG2%)
 OR {  320}
   (( segid "    " and resid 55   and name HA  ))
   (  segid "    " and resid 7    and name HG2%)
 OR {  320}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 13   and name HB2 ))
 OR {  320}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 31   and name HG  ))
 OR {  320}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 27   and name HG13))
 OR {  320}
   (( segid "    " and resid 55   and name HA  ))
   (  segid "    " and resid 75   and name HG2%)
 ASSI {  321}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 52   and name HG13))
      2.000     0.500     0.500 peak   321 spectrum    1 weight  0.10000E+01 volume  0.29205E-02 ppm1      4.346 ppm2      0.877 CV     1
 OR {  321}
   (( segid "    " and resid 55   and name HA  ))
   (  segid "    " and resid 13   and name HD1%)
 OR {  321}
   (( segid "    " and resid 55   and name HA  ))
   (  segid "    " and resid 27   and name HG2%)
 OR {  321}
   (( segid "    " and resid 55   and name HA  ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  321}
   (( segid "    " and resid 55   and name HA  ))
   (  segid "    " and resid 3    and name HD1%)
 OR {  321}
   (( segid "    " and resid 55   and name HA  ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  321}
   (( segid "    " and resid 55   and name HA  ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  321}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 23   and name HB3 ))
 ASSI {  322}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 56   and name HD2 ))
      3.800     1.800     1.800 peak   322 spectrum    1 weight  0.10000E+01 volume  0.29594E-02 ppm1      4.342 ppm2      3.657 CV     1
 OR {  322}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 53   and name HB3 ))
 OR {  322}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 59   and name HD2 ))
 OR {  322}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 60   and name HB2 ))
 OR {  322}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 5    and name HD2 ))
 OR {  322}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 17   and name HD3 ))
 OR {  322}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 26   and name HA  ))
 OR {  322}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 23   and name HA  ))
 OR {  322}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 88   and name HA3 ))
 OR {  322}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 88   and name HA2 ))
 ASSI {  323}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HE  ))
      3.900     1.900     1.900 peak   323 spectrum    1 weight  0.10000E+01 volume  0.14936E-02 ppm1      4.340 ppm2      7.099 CV     1
 OR {  323}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 32   and name HE22))
 OR {  323}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 39   and name HD2 ))
 OR {  323}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 1    and name HD% )
 OR {  323}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 43   and name HZ  ))
 OR {  323}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 50   and name HE  ))
 OR {  323}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 55   and name HD2 ))
 OR {  323}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 58   and name HD22))
 OR {  323}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 65   and name HD% )
 OR {  323}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 65   and name HE% )
 OR {  323}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 67   and name HD2 ))
 OR {  323}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 73   and name HD2 ))
 OR {  323}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 81   and name HD% )
 OR {  323}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 81   and name HE% )
 ASSI {  324}
   (( segid "    " and resid 54   and name HB  ))
   (( segid "    " and resid 45   and name HG  ))
      3.100     1.200     1.200 peak   324 spectrum    1 weight  0.10000E+01 volume  0.17546E-02 ppm1      2.220 ppm2      1.624 CV     1
 OR {  324}
   (( segid "    " and resid 54   and name HB  ))
   (( segid "    " and resid 56   and name HG3 ))
 OR {  324}
   (( segid "    " and resid 54   and name HB  ))
   (( segid "    " and resid 45   and name HB3 ))
 OR {  324}
   (( segid "    " and resid 54   and name HB  ))
   (( segid "    " and resid 33   and name HB3 ))
 OR {  324}
   (( segid "    " and resid 54   and name HB  ))
   (( segid "    " and resid 13   and name HG  ))
 OR {  324}
   (( segid "    " and resid 54   and name HB  ))
   (( segid "    " and resid 31   and name HB2 ))
 OR {  324}
   (( segid "    " and resid 54   and name HB  ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {  324}
   (( segid "    " and resid 54   and name HB  ))
   (( segid "    " and resid 3    and name HG  ))
 OR {  324}
   (( segid "    " and resid 54   and name HB  ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {  324}
   (( segid "    " and resid 54   and name HB  ))
   (( segid "    " and resid 25   and name HD3 ))
 OR {  324}
   (( segid "    " and resid 54   and name HB  ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {  324}
   (( segid "    " and resid 54   and name HB  ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {  324}
   (( segid "    " and resid 54   and name HB  ))
   (( segid "    " and resid 22   and name HB3 ))
 OR {  324}
   (( segid "    " and resid 54   and name HB  ))
   (( segid "    " and resid 21   and name HB3 ))
 OR {  324}
   (( segid "    " and resid 54   and name HB  ))
   (( segid "    " and resid 21   and name HB2 ))
 OR {  324}
   (( segid "    " and resid 54   and name HB  ))
   (( segid "    " and resid 21   and name HD2 ))
 OR {  324}
   (( segid "    " and resid 54   and name HB  ))
   (( segid "    " and resid 21   and name HD3 ))
 OR {  324}
   (( segid "    " and resid 54   and name HB  ))
   (( segid "    " and resid 68   and name HB3 ))
 OR {  324}
   (( segid "    " and resid 54   and name HB  ))
   (( segid "    " and resid 70   and name HG2 ))
 OR {  324}
   (( segid "    " and resid 54   and name HB  ))
   (( segid "    " and resid 71   and name HB2 ))
 OR {  324}
   (( segid "    " and resid 54   and name HB  ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {  324}
   (( segid "    " and resid 54   and name HB  ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {  324}
   (( segid "    " and resid 54   and name HB  ))
   (( segid "    " and resid 76   and name HG  ))
 OR {  324}
   (( segid "    " and resid 54   and name HB  ))
   (( segid "    " and resid 78   and name HB3 ))
 OR {  324}
   (( segid "    " and resid 54   and name HB  ))
   (( segid "    " and resid 78   and name HD2 ))
 OR {  324}
   (( segid "    " and resid 54   and name HB  ))
   (( segid "    " and resid 78   and name HD3 ))
 OR {  324}
   (( segid "    " and resid 54   and name HB  ))
   (( segid "    " and resid 84   and name HB3 ))
 OR {  324}
   (( segid "    " and resid 54   and name HB  ))
   (( segid "    " and resid 85   and name HB2 ))
 OR {  324}
   (( segid "    " and resid 54   and name HB  ))
   (( segid "    " and resid 86   and name HB2 ))
 OR {  324}
   (( segid "    " and resid 54   and name HB  ))
   (( segid "    " and resid 86   and name HD3 ))
 OR {  324}
   (( segid "    " and resid 54   and name HB  ))
   (( segid "    " and resid 86   and name HD2 ))
 ASSI {  325}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 56   and name HG3 ))
      3.000     1.100     1.100 peak   325 spectrum    1 weight  0.10000E+01 volume  0.32093E-02 ppm1      1.227 ppm2      1.619 CV     1
 OR {  325}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 45   and name HG  ))
 OR {  325}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 45   and name HB3 ))
 OR {  325}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 33   and name HB3 ))
 OR {  325}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 13   and name HG  ))
 OR {  325}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 31   and name HB2 ))
 OR {  325}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 16   and name HD2 ))
 OR {  325}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 3    and name HG  ))
 OR {  325}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 25   and name HG3 ))
 OR {  325}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 25   and name HD3 ))
 OR {  325}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 25   and name HD2 ))
 OR {  325}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 22   and name HB2 ))
 OR {  325}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 22   and name HB3 ))
 OR {  325}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 21   and name HB3 ))
 OR {  325}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 21   and name HB2 ))
 OR {  325}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 21   and name HD2 ))
 OR {  325}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 21   and name HD3 ))
 OR {  325}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 68   and name HB3 ))
 OR {  325}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 70   and name HG2 ))
 OR {  325}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 71   and name HB2 ))
 OR {  325}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 71   and name HD2 ))
 OR {  325}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 71   and name HD3 ))
 OR {  325}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 76   and name HG  ))
 OR {  325}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 78   and name HB3 ))
 OR {  325}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 78   and name HD2 ))
 OR {  325}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 78   and name HD3 ))
 OR {  325}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 84   and name HB3 ))
 OR {  325}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 85   and name HB2 ))
 OR {  325}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 86   and name HD3 ))
 OR {  325}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 86   and name HD2 ))
 ASSI {  326}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 54   and name HA  ))
      3.500     1.500     1.500 peak   326 spectrum    1 weight  0.10000E+01 volume  0.18102E-02 ppm1      1.225 ppm2      4.803 CV     1
 OR {  326}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 47   and name HA  ))
 OR {  326}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 46   and name HA  ))
 OR {  326}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 30   and name HA  ))
 ASSI {  327}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 49   and name H   ))
      2.600     0.800     0.800 peak   327 spectrum    1 weight  0.10000E+01 volume  0.24652E-02 ppm1      1.228 ppm2      8.377 CV     1
 OR {  327}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 55   and name H   ))
 OR {  327}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 43   and name H   ))
 OR {  327}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 38   and name H   ))
 OR {  327}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 6    and name H   ))
 OR {  327}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 2    and name H   ))
 OR {  327}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 69   and name H   ))
 OR {  327}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 82   and name H   ))
 OR {  327}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 87   and name H   ))
 ASSI {  328}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 53   and name H   ))
      2.400     0.700     0.700 peak   328 spectrum    1 weight  0.10000E+01 volume  0.97168E-03 ppm1      1.230 ppm2      8.910 CV     1
 OR {  328}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 46   and name H   ))
 OR {  328}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 11   and name H   ))
 OR {  328}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 14   and name H   ))
 OR {  328}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 31   and name H   ))
 OR {  328}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 20   and name H   ))
 ASSI {  329}
   (  segid "    " and resid 54   and name HD1%)
   (  segid "    " and resid 52   and name HD1%)
      1.700     0.400     0.500 peak   329 spectrum    1 weight  0.10000E+01 volume  0.65297E-02 ppm1      0.782 ppm2      0.469 CV     1
 OR {  329}
   (  segid "    " and resid 54   and name HD1%)
   (  segid "    " and resid 44   and name HG1%)
 OR {  329}
   (  segid "    " and resid 54   and name HD1%)
   (  segid "    " and resid 29   and name HG2%)
 OR {  329}
   (  segid "    " and resid 54   and name HD1%)
   (  segid "    " and resid 61   and name HD1%)
 OR {  329}
   (  segid "    " and resid 54   and name HD1%)
   (  segid "    " and resid 23   and name HD1%)
 ASSI {  330}
   (  segid "    " and resid 54   and name HD1%)
   (  segid "    " and resid 44   and name HG1%)
      2.000     0.500     0.500 peak   330 spectrum    1 weight  0.10000E+01 volume  0.26597E-02 ppm1      0.783 ppm2      0.364 CV     1
 OR {  330}
   (  segid "    " and resid 54   and name HD1%)
   (  segid "    " and resid 31   and name HD2%)
 OR {  330}
   (  segid "    " and resid 54   and name HD1%)
   (  segid "    " and resid 61   and name HD2%)
 ASSI {  331}
   (  segid "    " and resid 54   and name HD1%)
   (  segid "    " and resid 47   and name HD1%)
      2.100     0.600     0.600 peak   331 spectrum    1 weight  0.10000E+01 volume  0.18611E-01 ppm1      0.783 ppm2      0.648 CV     1
 OR {  331}
   (  segid "    " and resid 54   and name HD1%)
   (  segid "    " and resid 47   and name HD2%)
 OR {  331}
   (  segid "    " and resid 54   and name HD1%)
   (  segid "    " and resid 52   and name HG2%)
 OR {  331}
   (  segid "    " and resid 54   and name HD1%)
   (  segid "    " and resid 45   and name HD1%)
 OR {  331}
   (  segid "    " and resid 54   and name HD1%)
   (  segid "    " and resid 45   and name HD2%)
 OR {  331}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 57   and name H   ))
 OR {  331}
   (  segid "    " and resid 54   and name HD1%)
   (  segid "    " and resid 31   and name HD1%)
 OR {  331}
   (  segid "    " and resid 54   and name HD1%)
   (  segid "    " and resid 26   and name HG2%)
 OR {  331}
   (  segid "    " and resid 54   and name HD1%)
   (  segid "    " and resid 18   and name HD1%)
 OR {  331}
   (  segid "    " and resid 54   and name HD1%)
   (  segid "    " and resid 22   and name HD2%)
 OR {  331}
   (  segid "    " and resid 54   and name HD1%)
   (  segid "    " and resid 79   and name HD1%)
 ASSI {  332}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 45   and name HG  ))
      2.500     0.800     0.800 peak   332 spectrum    1 weight  0.10000E+01 volume  0.79290E-02 ppm1      0.783 ppm2      1.617 CV     1
 OR {  332}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 56   and name HG3 ))
 OR {  332}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 45   and name HB3 ))
 OR {  332}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 13   and name HG  ))
 OR {  332}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 33   and name HB3 ))
 OR {  332}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 31   and name HB2 ))
 OR {  332}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 16   and name HD2 ))
 OR {  332}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 3    and name HG  ))
 OR {  332}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 25   and name HG3 ))
 OR {  332}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 25   and name HD3 ))
 OR {  332}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 25   and name HD2 ))
 OR {  332}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 22   and name HB2 ))
 OR {  332}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 22   and name HB3 ))
 OR {  332}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 21   and name HB3 ))
 OR {  332}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 21   and name HB2 ))
 OR {  332}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 21   and name HD2 ))
 OR {  332}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 21   and name HD3 ))
 OR {  332}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 68   and name HB3 ))
 OR {  332}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 70   and name HG2 ))
 OR {  332}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 71   and name HB2 ))
 OR {  332}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 71   and name HD2 ))
 OR {  332}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 71   and name HD3 ))
 OR {  332}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 76   and name HG  ))
 OR {  332}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 78   and name HB3 ))
 OR {  332}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 78   and name HD2 ))
 OR {  332}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 78   and name HD3 ))
 OR {  332}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 84   and name HB3 ))
 OR {  332}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 85   and name HB2 ))
 OR {  332}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 86   and name HD3 ))
 OR {  332}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 86   and name HD2 ))
 ASSI {  333}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 47   and name HG  ))
      3.100     1.200     1.200 peak   333 spectrum    1 weight  0.10000E+01 volume  0.30761E-02 ppm1      0.783 ppm2      1.496 CV     1
 OR {  333}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 52   and name HB  ))
 OR {  333}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 50   and name HG2 ))
 OR {  333}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 61   and name HB3 ))
 OR {  333}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 15   and name HB2 ))
 OR {  333}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 15   and name HG2 ))
 OR {  333}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 3    and name HB3 ))
 OR {  333}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 3    and name HB2 ))
 OR {  333}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 16   and name HD3 ))
 OR {  333}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 2    and name HB3 ))
 OR {  333}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 2    and name HB2 ))
 OR {  333}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 2    and name HG  ))
 OR {  333}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 27   and name HG12))
 OR {  333}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 18   and name HB2 ))
 OR {  333}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 23   and name HB2 ))
 OR {  333}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 21   and name HG2 ))
 OR {  333}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 70   and name HG3 ))
 OR {  333}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 72   and name HB3 ))
 OR {  333}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 72   and name HG  ))
 OR {  333}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 76   and name HB2 ))
 OR {  333}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 76   and name HB3 ))
 OR {  333}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 79   and name HG  ))
 OR {  333}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 79   and name HB2 ))
 OR {  333}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 84   and name HB2 ))
 OR {  333}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 84   and name HG  ))
 OR {  333}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 85   and name HG2 ))
 OR {  333}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 85   and name HG3 ))
 ASSI {  334}
   (  segid "    " and resid 54   and name HD1%)
   (  segid "    " and resid 48   and name HB% )
      4.200     2.200     1.800 peak   334 spectrum    1 weight  0.10000E+01 volume  0.14936E-02 ppm1      0.783 ppm2      1.368 CV     1
 OR {  334}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 56   and name HG2 ))
 OR {  334}
   (  segid "    " and resid 54   and name HD1%)
   (  segid "    " and resid 8    and name HB% )
 OR {  334}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 40   and name HB2 ))
 OR {  334}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 61   and name HB2 ))
 OR {  334}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 15   and name HB2 ))
 OR {  334}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 15   and name HG3 ))
 OR {  334}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 25   and name HG2 ))
 OR {  334}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 23   and name HG  ))
 OR {  334}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 21   and name HG3 ))
 OR {  334}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 22   and name HG  ))
 OR {  334}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 21   and name HG2 ))
 OR {  334}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 71   and name HG3 ))
 OR {  334}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 72   and name HB2 ))
 OR {  334}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 78   and name HG2 ))
 OR {  334}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 78   and name HG3 ))
 OR {  334}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 79   and name HG  ))
 OR {  334}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 79   and name HB2 ))
 OR {  334}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 86   and name HG2 ))
 OR {  334}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 86   and name HG3 ))
 ASSI {  335}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 47   and name HB2 ))
      2.600     0.800     0.800 peak   335 spectrum    1 weight  0.10000E+01 volume  0.12937E-02 ppm1      0.784 ppm2      1.733 CV     1
 OR {  335}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 56   and name HG3 ))
 OR {  335}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 41   and name HB2 ))
 OR {  335}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 41   and name HB3 ))
 OR {  335}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 29   and name HB  ))
 OR {  335}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 32   and name HB3 ))
 OR {  335}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 16   and name HB2 ))
 OR {  335}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 17   and name HB3 ))
 OR {  335}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 18   and name HG  ))
 OR {  335}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 25   and name HD3 ))
 OR {  335}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 24   and name HB3 ))
 OR {  335}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 24   and name HG3 ))
 OR {  335}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 24   and name HG2 ))
 OR {  335}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 21   and name HB3 ))
 OR {  335}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 21   and name HB2 ))
 OR {  335}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 68   and name HB3 ))
 OR {  335}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 68   and name HG3 ))
 OR {  335}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 70   and name HB2 ))
 OR {  335}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 70   and name HB3 ))
 OR {  335}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 71   and name HB2 ))
 OR {  335}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 71   and name HB3 ))
 OR {  335}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 77   and name HB2 ))
 OR {  335}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 78   and name HB3 ))
 OR {  335}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 78   and name HB2 ))
 OR {  335}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 85   and name HB3 ))
 OR {  335}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 85   and name HB2 ))
 OR {  335}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 86   and name HB2 ))
 OR {  335}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 86   and name HB3 ))
 ASSI {  336}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 46   and name HB3 ))
      1.800     0.400     0.400 peak   336 spectrum    1 weight  0.10000E+01 volume  0.54914E-02 ppm1      0.783 ppm2      3.098 CV     1
 OR {  336}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 46   and name HB2 ))
 OR {  336}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 50   and name HD3 ))
 OR {  336}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 50   and name HD2 ))
 OR {  336}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 38   and name HB3 ))
 OR {  336}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 58   and name HB3 ))
 OR {  336}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 39   and name HB2 ))
 OR {  336}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 14   and name HB2 ))
 OR {  336}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 14   and name HB3 ))
 OR {  336}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 1    and name HB3 ))
 OR {  336}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 1    and name HB2 ))
 OR {  336}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 64   and name HB2 ))
 OR {  336}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 65   and name HB2 ))
 OR {  336}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 24   and name HD3 ))
 OR {  336}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 24   and name HD2 ))
 OR {  336}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 67   and name HB3 ))
 OR {  336}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 70   and name HD2 ))
 OR {  336}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 70   and name HD3 ))
 OR {  336}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 73   and name HB2 ))
 OR {  336}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 81   and name HB2 ))
 OR {  336}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 85   and name HD3 ))
 OR {  336}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 85   and name HD2 ))
 ASSI {  337}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 55   and name HB2 ))
      4.500     2.500     1.500 peak   337 spectrum    1 weight  0.10000E+01 volume  0.13326E-02 ppm1      0.787 ppm2      2.812 CV     1
 OR {  337}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 58   and name HB2 ))
 OR {  337}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 15   and name HD3 ))
 OR {  337}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 15   and name HD2 ))
 OR {  337}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 80   and name HB3 ))
 ASSI {  338}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 53   and name HB2 ))
      2.400     0.700     0.700 peak   338 spectrum    1 weight  0.10000E+01 volume  0.92171E-03 ppm1      0.781 ppm2      2.595 CV     1
 OR {  338}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 10   and name HB3 ))
 OR {  338}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 43   and name HB3 ))
 OR {  338}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 43   and name HB2 ))
 OR {  338}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 9    and name HB2 ))
 OR {  338}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 35   and name HB3 ))
 OR {  338}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 37   and name HB2 ))
 OR {  338}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 35   and name HB2 ))
 OR {  338}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 20   and name HB2 ))
 OR {  338}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 20   and name HB3 ))
 OR {  338}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 80   and name HB2 ))
 OR {  338}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 87   and name HG2 ))
 ASSI {  339}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 52   and name HA  ))
      2.300     0.600     0.600 peak   339 spectrum    1 weight  0.10000E+01 volume  0.15714E-02 ppm1      0.785 ppm2      4.486 CV     1
 OR {  339}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 49   and name HA  ))
 OR {  339}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 44   and name HA  ))
 OR {  339}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 10   and name HA  ))
 OR {  339}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 57   and name HA  ))
 OR {  339}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 9    and name HA  ))
 OR {  339}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 12   and name HA  ))
 OR {  339}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 14   and name HA  ))
 OR {  339}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 31   and name HA  ))
 OR {  339}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 32   and name HA  ))
 OR {  339}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 3    and name HA  ))
 OR {  339}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 17   and name HA  ))
 OR {  339}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 18   and name HA  ))
 OR {  339}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 67   and name HA  ))
 OR {  339}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 76   and name HA  ))
 OR {  339}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 81   and name HA  ))
 OR {  339}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 87   and name HA  ))
 ASSI {  340}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 55   and name HA  ))
      4.000     2.000     2.000 peak   340 spectrum    1 weight  0.10000E+01 volume  0.21321E-02 ppm1      0.783 ppm2      4.353 CV     1
 OR {  340}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 56   and name HA  ))
 OR {  340}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 42   and name HA  ))
 OR {  340}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 40   and name HA  ))
 OR {  340}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 11   and name HA  ))
 OR {  340}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 8    and name HA  ))
 OR {  340}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 59   and name HA  ))
 OR {  340}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 13   and name HA  ))
 OR {  340}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 6    and name HA  ))
 OR {  340}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 60   and name HA  ))
 OR {  340}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 33   and name HA  ))
 OR {  340}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 5    and name HA  ))
 OR {  340}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 15   and name HA  ))
 OR {  340}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 16   and name HA  ))
 OR {  340}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 2    and name HA  ))
 OR {  340}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 25   and name HA  ))
 OR {  340}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 19   and name HA  ))
 OR {  340}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
 OR {  340}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 77   and name HA  ))
 OR {  340}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 83   and name HA  ))
 ASSI {  341}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 55   and name HD2 ))
      3.300     1.300     1.300 peak   341 spectrum    1 weight  0.10000E+01 volume  0.27540E-02 ppm1      0.781 ppm2      7.021 CV     1
 OR {  341}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 50   and name HE  ))
 OR {  341}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 43   and name HZ  ))
 OR {  341}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 41   and name HE22))
 OR {  341}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 40   and name H   ))
 OR {  341}
   (  segid "    " and resid 54   and name HD1%)
   (  segid "    " and resid 14   and name HD% )
 OR {  341}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 32   and name HE22))
 OR {  341}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 15   and name HE  ))
 OR {  341}
   (  segid "    " and resid 54   and name HD1%)
   (  segid "    " and resid 65   and name HE% )
 OR {  341}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 64   and name HE3 ))
 OR {  341}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 67   and name HD2 ))
 ASSI {  342}
   (  segid "    " and resid 54   and name HD1%)
   (  segid "    " and resid 14   and name HE% )
      2.300     0.700     0.700 peak   342 spectrum    1 weight  0.10000E+01 volume  0.11049E-02 ppm1      0.774 ppm2      6.676 CV     1
 OR {  342}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 28   and name HE22))
 OR {  342}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 64   and name HZ3 ))
 ASSI {  343}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 45   and name H   ))
      2.500     0.800     0.800 peak   343 spectrum    1 weight  0.10000E+01 volume  0.62188E-03 ppm1      0.777 ppm2      9.069 CV     1
 OR {  343}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 30   and name H   ))
 OR {  343}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 27   and name H   ))
 ASSI {  344}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 54   and name HD1%)
      3.500     1.500     1.500 peak   344 spectrum    1 weight  0.10000E+01 volume  0.15991E-02 ppm1      5.055 ppm2      0.773 CV     1
 OR {  344}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 52   and name HG13))
 OR {  344}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  344}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  344}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  344}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  344}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  344}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  344}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  344}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  344}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  344}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  344}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  344}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {  344}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  344}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  344}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  344}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  344}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  344}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  344}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  345}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 53   and name H   ))
      2.500     0.800     0.800 peak   345 spectrum    1 weight  0.10000E+01 volume  0.49028E-02 ppm1      4.464 ppm2      8.892 CV     1
 OR {  345}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 48   and name H   ))
 OR {  345}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 46   and name H   ))
 OR {  345}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 11   and name H   ))
 OR {  345}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 14   and name H   ))
 OR {  345}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 32   and name H   ))
 OR {  345}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 31   and name H   ))
 OR {  345}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 20   and name H   ))
 ASSI {  346}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name H   ))
      3.000     1.100     1.100 peak   346 spectrum    1 weight  0.10000E+01 volume  0.14325E-02 ppm1      4.454 ppm2      8.742 CV     1
 OR {  346}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 42   and name H   ))
 OR {  346}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 47   and name H   ))
 OR {  346}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 34   and name H   ))
 OR {  346}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 29   and name H   ))
 OR {  346}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 60   and name H   ))
 ASSI {  347}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 50   and name HD3 ))
      2.200     0.600     0.600 peak   347 spectrum    1 weight  0.10000E+01 volume  0.16380E-02 ppm1      1.500 ppm2      3.085 CV     1
 OR {  347}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 46   and name HB3 ))
 OR {  347}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 50   and name HD2 ))
 OR {  347}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 39   and name HB2 ))
 OR {  347}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 14   and name HB2 ))
 OR {  347}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 14   and name HB3 ))
 OR {  347}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 58   and name HB3 ))
 OR {  347}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 1    and name HB3 ))
 OR {  347}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 1    and name HB2 ))
 OR {  347}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 24   and name HD3 ))
 OR {  347}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 64   and name HB3 ))
 OR {  347}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 64   and name HB2 ))
 OR {  347}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 65   and name HB2 ))
 OR {  347}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 67   and name HB3 ))
 OR {  347}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 70   and name HD2 ))
 OR {  347}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 70   and name HD3 ))
 OR {  347}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 73   and name HB2 ))
 OR {  347}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 81   and name HB2 ))
 OR {  347}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 85   and name HD3 ))
 OR {  347}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 85   and name HD2 ))
 ASSI {  348}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 77   and name HD3 ))
      4.300     2.300     1.700 peak   348 spectrum    1 weight  0.10000E+01 volume  0.22321E-02 ppm1      1.537 ppm2      3.740 CV     1
 OR {  348}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 36   and name HA2 ))
 OR {  348}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 5    and name HD2 ))
 OR {  348}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 17   and name HD3 ))
 OR {  348}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 21   and name HA  ))
 OR {  348}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 88   and name HA2 ))
 OR {  348}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 88   and name HA3 ))
 OR {  348}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 36   and name HA2 ))
 OR {  348}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 5    and name HD2 ))
 OR {  348}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 77   and name HD3 ))
 OR {  348}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 17   and name HD3 ))
 OR {  348}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 21   and name HA  ))
 OR {  348}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 77   and name HD3 ))
 OR {  348}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 88   and name HA3 ))
 OR {  348}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 88   and name HA2 ))
 OR {  348}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 36   and name HA2 ))
 OR {  348}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 5    and name HD2 ))
 OR {  348}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 17   and name HD3 ))
 OR {  348}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 88   and name HA3 ))
 OR {  348}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 88   and name HA2 ))
 OR {  348}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 21   and name HA  ))
 ASSI {  349}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 77   and name HD2 ))
      3.600     1.700     1.700 peak   349 spectrum    1 weight  0.10000E+01 volume  0.29761E-02 ppm1      1.535 ppm2      3.506 CV     1
 OR {  349}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 5    and name HD3 ))
 OR {  349}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 4    and name HD2 ))
 OR {  349}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 17   and name HD2 ))
 OR {  349}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 5    and name HD3 ))
 OR {  349}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 77   and name HD2 ))
 OR {  349}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 4    and name HD2 ))
 OR {  349}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 17   and name HD2 ))
 OR {  349}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 77   and name HD2 ))
 OR {  349}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 5    and name HD3 ))
 OR {  349}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 4    and name HD2 ))
 OR {  349}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 17   and name HD2 ))
 ASSI {  351}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 76   and name HA  ))
      2.400     0.700     0.700 peak   351 spectrum    1 weight  0.10000E+01 volume  0.64020E-02 ppm1      1.534 ppm2      4.532 CV     1
 OR {  351}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 52   and name HA  ))
 OR {  351}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 44   and name HA  ))
 OR {  351}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 10   and name HA  ))
 OR {  351}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 45   and name HA  ))
 OR {  351}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 9    and name HA  ))
 OR {  351}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 73   and name HA  ))
 OR {  351}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 12   and name HA  ))
 OR {  351}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 57   and name HA  ))
 OR {  351}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 57   and name HA  ))
 OR {  351}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 14   and name HA  ))
 OR {  351}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 31   and name HA  ))
 OR {  351}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 32   and name HA  ))
 OR {  351}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 4    and name HA  ))
 OR {  351}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 3    and name HA  ))
 OR {  351}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 17   and name HA  ))
 OR {  351}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 52   and name HA  ))
 OR {  351}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 45   and name HA  ))
 OR {  351}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 44   and name HA  ))
 OR {  351}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 10   and name HA  ))
 OR {  351}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 87   and name HA  ))
 OR {  351}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 9    and name HA  ))
 OR {  351}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 12   and name HA  ))
 OR {  351}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 73   and name HA  ))
 OR {  351}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 14   and name HA  ))
 OR {  351}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 32   and name HA  ))
 OR {  351}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 31   and name HA  ))
 OR {  351}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 76   and name HA  ))
 OR {  351}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 4    and name HA  ))
 OR {  351}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 3    and name HA  ))
 OR {  351}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 17   and name HA  ))
 OR {  351}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 57   and name HA  ))
 OR {  351}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 73   and name HA  ))
 OR {  351}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 45   and name HA  ))
 OR {  351}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 52   and name HA  ))
 OR {  351}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 44   and name HA  ))
 OR {  351}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 76   and name HA  ))
 OR {  351}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 10   and name HA  ))
 OR {  351}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 87   and name HA  ))
 OR {  351}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 9    and name HA  ))
 OR {  351}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 12   and name HA  ))
 OR {  351}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 14   and name HA  ))
 OR {  351}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 32   and name HA  ))
 OR {  351}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 31   and name HA  ))
 OR {  351}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 4    and name HA  ))
 OR {  351}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 3    and name HA  ))
 OR {  351}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 17   and name HA  ))
 OR {  351}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 87   and name HA  ))
 ASSI {  352}
   (( segid "    " and resid 3    and name HB3 ))
   (( segid "    " and resid 28   and name HA  ))
      3.200     1.300     1.300 peak   352 spectrum    1 weight  0.10000E+01 volume  0.19822E-02 ppm1      1.502 ppm2      4.739 CV     1
 OR {  352}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 28   and name HA  ))
 OR {  352}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 54   and name HA  ))
 OR {  352}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 58   and name HA  ))
 OR {  352}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 28   and name HA  ))
 OR {  352}
   (( segid "    " and resid 3    and name HB3 ))
   (( segid "    " and resid 54   and name HA  ))
 OR {  352}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 54   and name HA  ))
 OR {  352}
   (( segid "    " and resid 3    and name HB3 ))
   (( segid "    " and resid 58   and name HA  ))
 OR {  352}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 58   and name HA  ))
 OR {  352}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 58   and name HA  ))
 OR {  352}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 58   and name HA  ))
 OR {  352}
   (( segid "    " and resid 76   and name HB3 ))
   (( segid "    " and resid 58   and name HA  ))
 OR {  352}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 54   and name HA  ))
 OR {  352}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 54   and name HA  ))
 OR {  352}
   (( segid "    " and resid 76   and name HB3 ))
   (( segid "    " and resid 54   and name HA  ))
 OR {  352}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 58   and name HA  ))
 OR {  352}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 28   and name HA  ))
 OR {  352}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 54   and name HA  ))
 OR {  352}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 28   and name HA  ))
 OR {  352}
   (( segid "    " and resid 76   and name HB3 ))
   (( segid "    " and resid 28   and name HA  ))
 OR {  352}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 28   and name HA  ))
 ASSI {  355}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 76   and name H   ))
      2.500     0.800     0.800 peak   355 spectrum    1 weight  0.10000E+01 volume  0.67907E-02 ppm1      1.535 ppm2      8.256 CV     1
 OR {  355}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 78   and name H   ))
 OR {  355}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 74   and name H   ))
 OR {  355}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 9    and name H   ))
 OR {  355}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 73   and name H   ))
 OR {  355}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 8    and name H   ))
 OR {  355}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 58   and name H   ))
 OR {  355}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 80   and name H   ))
 OR {  355}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 81   and name H   ))
 OR {  355}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 58   and name H   ))
 OR {  355}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 3    and name H   ))
 OR {  355}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 86   and name H   ))
 OR {  355}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 9    and name H   ))
 OR {  355}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 73   and name H   ))
 OR {  355}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 8    and name H   ))
 OR {  355}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 74   and name H   ))
 OR {  355}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 76   and name H   ))
 OR {  355}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 3    and name H   ))
 OR {  355}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 78   and name H   ))
 OR {  355}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 58   and name H   ))
 OR {  355}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 80   and name H   ))
 OR {  355}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 81   and name H   ))
 OR {  355}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 73   and name H   ))
 OR {  355}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 74   and name H   ))
 OR {  355}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 76   and name H   ))
 OR {  355}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 86   and name H   ))
 OR {  355}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 78   and name H   ))
 OR {  355}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 9    and name H   ))
 OR {  355}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 8    and name H   ))
 OR {  355}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 80   and name H   ))
 OR {  355}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 81   and name H   ))
 OR {  355}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 3    and name H   ))
 OR {  355}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 86   and name H   ))
 ASSI {  356}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 53   and name H   ))
      3.700     1.700     1.700 peak   356 spectrum    1 weight  0.10000E+01 volume  0.15991E-02 ppm1      1.494 ppm2      8.893 CV     1
 OR {  356}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 46   and name H   ))
 OR {  356}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 48   and name H   ))
 OR {  356}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 11   and name H   ))
 OR {  356}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 14   and name H   ))
 OR {  356}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 32   and name H   ))
 OR {  356}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 31   and name H   ))
 OR {  356}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 20   and name H   ))
 ASSI {  357}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 52   and name H   ))
      2.900     1.100     1.100 peak   357 spectrum    1 weight  0.10000E+01 volume  0.20378E-02 ppm1      1.492 ppm2      8.762 CV     1
 OR {  357}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 42   and name H   ))
 OR {  357}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 47   and name H   ))
 OR {  357}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 34   and name H   ))
 OR {  357}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 29   and name H   ))
 OR {  357}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 60   and name H   ))
 ASSI {  358}
   (( segid "    " and resid 61   and name HG  ))
   (  segid "    " and resid 61   and name HD1%)
      2.200     0.600     0.600 peak   358 spectrum    1 weight  0.10000E+01 volume  0.93726E-02 ppm1      1.256 ppm2      0.475 CV     1
 OR {  358}
   (( segid "    " and resid 52   and name HG12))
   (  segid "    " and resid 52   and name HD1%)
 OR {  358}
   (( segid "    " and resid 40   and name HG  ))
   (  segid "    " and resid 52   and name HD1%)
 OR {  358}
   (( segid "    " and resid 40   and name HG  ))
   (  segid "    " and resid 29   and name HG2%)
 OR {  358}
   (( segid "    " and resid 52   and name HG12))
   (  segid "    " and resid 29   and name HG2%)
 OR {  358}
   (( segid "    " and resid 40   and name HG  ))
   (  segid "    " and resid 23   and name HD1%)
 OR {  358}
   (( segid "    " and resid 61   and name HG  ))
   (  segid "    " and resid 52   and name HD1%)
 OR {  358}
   (( segid "    " and resid 52   and name HG12))
   (  segid "    " and resid 61   and name HD1%)
 OR {  358}
   (( segid "    " and resid 52   and name HG12))
   (  segid "    " and resid 23   and name HD1%)
 OR {  358}
   (( segid "    " and resid 40   and name HG  ))
   (  segid "    " and resid 61   and name HD1%)
 OR {  358}
   (( segid "    " and resid 61   and name HG  ))
   (  segid "    " and resid 29   and name HG2%)
 OR {  358}
   (( segid "    " and resid 61   and name HG  ))
   (  segid "    " and resid 23   and name HD1%)
 ASSI {  359}
   (( segid "    " and resid 52   and name HG12))
   (( segid "    " and resid 52   and name HG13))
      1.700     0.400     0.500 peak   359 spectrum    1 weight  0.10000E+01 volume  0.19428E-01 ppm1      1.262 ppm2      0.803 CV     1
 OR {  359}
   (( segid "    " and resid 40   and name HG  ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  359}
   (( segid "    " and resid 52   and name HG12))
   (  segid "    " and resid 44   and name HG2%)
 OR {  359}
   (( segid "    " and resid 52   and name HG12))
   (  segid "    " and resid 54   and name HD1%)
 OR {  359}
   (( segid "    " and resid 40   and name HG  ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  359}
   (( segid "    " and resid 40   and name HG  ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  359}
   (( segid "    " and resid 40   and name HG  ))
   (( segid "    " and resid 52   and name HG13))
 OR {  359}
   (( segid "    " and resid 52   and name HG12))
   (  segid "    " and resid 40   and name HD1%)
 OR {  359}
   (( segid "    " and resid 40   and name HG  ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  359}
   (( segid "    " and resid 40   and name HG  ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  359}
   (( segid "    " and resid 40   and name HG  ))
   (  segid "    " and resid 3    and name HD1%)
 OR {  359}
   (( segid "    " and resid 40   and name HG  ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  359}
   (( segid "    " and resid 52   and name HG12))
   (  segid "    " and resid 29   and name HG1%)
 OR {  359}
   (( segid "    " and resid 40   and name HG  ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  359}
   (( segid "    " and resid 40   and name HG  ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  359}
   (( segid "    " and resid 61   and name HG  ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  359}
   (( segid "    " and resid 52   and name HG12))
   (  segid "    " and resid 3    and name HD2%)
 OR {  359}
   (( segid "    " and resid 52   and name HG12))
   (  segid "    " and resid 26   and name HG1%)
 OR {  359}
   (( segid "    " and resid 52   and name HG12))
   (  segid "    " and resid 3    and name HD1%)
 OR {  359}
   (( segid "    " and resid 52   and name HG12))
   (  segid "    " and resid 2    and name HD1%)
 OR {  359}
   (( segid "    " and resid 61   and name HG  ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  359}
   (( segid "    " and resid 40   and name HG  ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  359}
   (( segid "    " and resid 52   and name HG12))
   (  segid "    " and resid 2    and name HD2%)
 OR {  359}
   (( segid "    " and resid 40   and name HG  ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {  359}
   (( segid "    " and resid 61   and name HG  ))
   (( segid "    " and resid 52   and name HG13))
 OR {  359}
   (( segid "    " and resid 52   and name HG12))
   (  segid "    " and resid 22   and name HD1%)
 OR {  359}
   (( segid "    " and resid 61   and name HG  ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  359}
   (( segid "    " and resid 61   and name HG  ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  359}
   (( segid "    " and resid 61   and name HG  ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  359}
   (( segid "    " and resid 52   and name HG12))
   (( segid "    " and resid 23   and name HB3 ))
 OR {  359}
   (( segid "    " and resid 61   and name HG  ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  359}
   (( segid "    " and resid 61   and name HG  ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  359}
   (( segid "    " and resid 61   and name HG  ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  359}
   (( segid "    " and resid 61   and name HG  ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  359}
   (( segid "    " and resid 61   and name HG  ))
   (  segid "    " and resid 3    and name HD1%)
 OR {  359}
   (( segid "    " and resid 61   and name HG  ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  359}
   (( segid "    " and resid 61   and name HG  ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  359}
   (( segid "    " and resid 61   and name HG  ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  359}
   (( segid "    " and resid 52   and name HG12))
   (  segid "    " and resid 72   and name HD2%)
 OR {  359}
   (( segid "    " and resid 61   and name HG  ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  359}
   (( segid "    " and resid 52   and name HG12))
   (  segid "    " and resid 72   and name HD1%)
 OR {  359}
   (( segid "    " and resid 61   and name HG  ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {  359}
   (( segid "    " and resid 61   and name HG  ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  359}
   (( segid "    " and resid 61   and name HG  ))
   (  segid "    " and resid 84   and name HD1%)
 OR {  359}
   (( segid "    " and resid 40   and name HG  ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  359}
   (( segid "    " and resid 40   and name HG  ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  359}
   (( segid "    " and resid 52   and name HG12))
   (  segid "    " and resid 76   and name HD2%)
 OR {  359}
   (( segid "    " and resid 52   and name HG12))
   (  segid "    " and resid 76   and name HD1%)
 OR {  359}
   (( segid "    " and resid 40   and name HG  ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  359}
   (( segid "    " and resid 40   and name HG  ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  359}
   (( segid "    " and resid 52   and name HG12))
   (  segid "    " and resid 84   and name HD2%)
 OR {  359}
   (( segid "    " and resid 52   and name HG12))
   (  segid "    " and resid 84   and name HD1%)
 OR {  359}
   (( segid "    " and resid 40   and name HG  ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  359}
   (( segid "    " and resid 40   and name HG  ))
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  360}
   (( segid "    " and resid 52   and name HG13))
   (  segid "    " and resid 52   and name HG2%)
      2.400     0.700     0.700 peak   360 spectrum    1 weight  0.10000E+01 volume  0.78734E-02 ppm1      0.821 ppm2      0.667 CV     1
 OR {  360}
   (( segid "    " and resid 52   and name HG13))
   (  segid "    " and resid 45   and name HD1%)
 OR {  360}
   (( segid "    " and resid 52   and name HG13))
   (  segid "    " and resid 47   and name HD1%)
 OR {  360}
   (( segid "    " and resid 52   and name HG13))
   (  segid "    " and resid 40   and name HD2%)
 OR {  360}
   (( segid "    " and resid 52   and name HG13))
   (  segid "    " and resid 47   and name HD2%)
 OR {  360}
   (( segid "    " and resid 52   and name HG13))
   (  segid "    " and resid 31   and name HD1%)
 OR {  360}
   (( segid "    " and resid 52   and name HG13))
   (  segid "    " and resid 29   and name HG1%)
 OR {  360}
   (( segid "    " and resid 52   and name HG13))
   (( segid "    " and resid 57   and name H   ))
 OR {  360}
   (( segid "    " and resid 52   and name HG13))
   (  segid "    " and resid 27   and name HD1%)
 OR {  360}
   (( segid "    " and resid 52   and name HG13))
   (  segid "    " and resid 26   and name HG2%)
 OR {  360}
   (( segid "    " and resid 52   and name HG13))
   (  segid "    " and resid 18   and name HD2%)
 OR {  360}
   (( segid "    " and resid 52   and name HG13))
   (  segid "    " and resid 18   and name HD1%)
 OR {  360}
   (( segid "    " and resid 52   and name HG13))
   (  segid "    " and resid 22   and name HD2%)
 OR {  360}
   (( segid "    " and resid 52   and name HG13))
   (  segid "    " and resid 79   and name HD1%)
 OR {  360}
   (( segid "    " and resid 52   and name HG13))
   (  segid "    " and resid 79   and name HD2%)
 ASSI {  361}
   (( segid "    " and resid 52   and name HG13))
   (( segid "    " and resid 52   and name HA  ))
      3.700     1.700     1.700 peak   361 spectrum    1 weight  0.10000E+01 volume  0.13270E-02 ppm1      0.827 ppm2      4.472 CV     1
 OR {  361}
   (( segid "    " and resid 52   and name HG13))
   (( segid "    " and resid 44   and name HA  ))
 OR {  361}
   (( segid "    " and resid 52   and name HG13))
   (( segid "    " and resid 10   and name HA  ))
 OR {  361}
   (( segid "    " and resid 52   and name HG13))
   (( segid "    " and resid 9    and name HA  ))
 OR {  361}
   (( segid "    " and resid 52   and name HG13))
   (( segid "    " and resid 49   and name HA  ))
 OR {  361}
   (( segid "    " and resid 52   and name HG13))
   (( segid "    " and resid 40   and name HA  ))
 OR {  361}
   (( segid "    " and resid 52   and name HG13))
   (( segid "    " and resid 12   and name HA  ))
 OR {  361}
   (( segid "    " and resid 52   and name HG13))
   (( segid "    " and resid 14   and name HA  ))
 OR {  361}
   (( segid "    " and resid 52   and name HG13))
   (( segid "    " and resid 57   and name HA  ))
 OR {  361}
   (( segid "    " and resid 52   and name HG13))
   (( segid "    " and resid 32   and name HA  ))
 OR {  361}
   (( segid "    " and resid 52   and name HG13))
   (( segid "    " and resid 31   and name HA  ))
 OR {  361}
   (( segid "    " and resid 52   and name HG13))
   (( segid "    " and resid 59   and name HA  ))
 OR {  361}
   (( segid "    " and resid 52   and name HG13))
   (( segid "    " and resid 3    and name HA  ))
 OR {  361}
   (( segid "    " and resid 52   and name HG13))
   (( segid "    " and resid 17   and name HA  ))
 OR {  361}
   (( segid "    " and resid 52   and name HG13))
   (( segid "    " and resid 18   and name HA  ))
 OR {  361}
   (( segid "    " and resid 52   and name HG13))
   (( segid "    " and resid 67   and name HA  ))
 OR {  361}
   (( segid "    " and resid 52   and name HG13))
   (( segid "    " and resid 76   and name HA  ))
 OR {  361}
   (( segid "    " and resid 52   and name HG13))
   (( segid "    " and resid 81   and name HA  ))
 OR {  361}
   (( segid "    " and resid 52   and name HG13))
   (( segid "    " and resid 87   and name HA  ))
 ASSI {  362}
   (( segid "    " and resid 40   and name HG  ))
   (( segid "    " and resid 40   and name H   ))
      3.500     1.500     1.500 peak   362 spectrum    1 weight  0.10000E+01 volume  0.85508E-03 ppm1      1.269 ppm2      7.027 CV     1
 OR {  362}
   (( segid "    " and resid 52   and name HG12))
   (( segid "    " and resid 43   and name HZ  ))
 OR {  362}
   (( segid "    " and resid 52   and name HG12))
   (( segid "    " and resid 50   and name HE  ))
 OR {  362}
   (( segid "    " and resid 40   and name HG  ))
   (( segid "    " and resid 41   and name HE22))
 OR {  362}
   (( segid "    " and resid 40   and name HG  ))
   (  segid "    " and resid 14   and name HD% )
 OR {  362}
   (( segid "    " and resid 52   and name HG12))
   (( segid "    " and resid 41   and name HE22))
 OR {  362}
   (( segid "    " and resid 52   and name HG12))
   (( segid "    " and resid 40   and name H   ))
 OR {  362}
   (( segid "    " and resid 52   and name HG12))
   (( segid "    " and resid 55   and name HD2 ))
 OR {  362}
   (( segid "    " and resid 61   and name HG  ))
   (( segid "    " and resid 64   and name HE3 ))
 OR {  362}
   (( segid "    " and resid 40   and name HG  ))
   (( segid "    " and resid 43   and name HZ  ))
 OR {  362}
   (( segid "    " and resid 61   and name HG  ))
   (  segid "    " and resid 65   and name HE% )
 OR {  362}
   (( segid "    " and resid 40   and name HG  ))
   (( segid "    " and resid 15   and name HE  ))
 OR {  362}
   (( segid "    " and resid 40   and name HG  ))
   (( segid "    " and resid 32   and name HE22))
 OR {  362}
   (( segid "    " and resid 52   and name HG12))
   (  segid "    " and resid 14   and name HD% )
 OR {  362}
   (( segid "    " and resid 40   and name HG  ))
   (( segid "    " and resid 50   and name HE  ))
 OR {  362}
   (( segid "    " and resid 52   and name HG12))
   (( segid "    " and resid 32   and name HE22))
 OR {  362}
   (( segid "    " and resid 61   and name HG  ))
   (( segid "    " and resid 55   and name HD2 ))
 OR {  362}
   (( segid "    " and resid 40   and name HG  ))
   (( segid "    " and resid 55   and name HD2 ))
 OR {  362}
   (( segid "    " and resid 61   and name HG  ))
   (( segid "    " and resid 67   and name HD2 ))
 OR {  362}
   (( segid "    " and resid 52   and name HG12))
   (( segid "    " and resid 15   and name HE  ))
 OR {  362}
   (( segid "    " and resid 61   and name HG  ))
   (( segid "    " and resid 50   and name HE  ))
 OR {  362}
   (( segid "    " and resid 61   and name HG  ))
   (( segid "    " and resid 43   and name HZ  ))
 OR {  362}
   (( segid "    " and resid 61   and name HG  ))
   (( segid "    " and resid 41   and name HE22))
 OR {  362}
   (( segid "    " and resid 61   and name HG  ))
   (( segid "    " and resid 40   and name H   ))
 OR {  362}
   (( segid "    " and resid 52   and name HG12))
   (  segid "    " and resid 65   and name HE% )
 OR {  362}
   (( segid "    " and resid 52   and name HG12))
   (( segid "    " and resid 64   and name HE3 ))
 OR {  362}
   (( segid "    " and resid 61   and name HG  ))
   (  segid "    " and resid 14   and name HD% )
 OR {  362}
   (( segid "    " and resid 61   and name HG  ))
   (( segid "    " and resid 32   and name HE22))
 OR {  362}
   (( segid "    " and resid 40   and name HG  ))
   (  segid "    " and resid 65   and name HE% )
 OR {  362}
   (( segid "    " and resid 52   and name HG12))
   (( segid "    " and resid 67   and name HD2 ))
 OR {  362}
   (( segid "    " and resid 40   and name HG  ))
   (( segid "    " and resid 64   and name HE3 ))
 OR {  362}
   (( segid "    " and resid 61   and name HG  ))
   (( segid "    " and resid 15   and name HE  ))
 OR {  362}
   (( segid "    " and resid 40   and name HG  ))
   (( segid "    " and resid 67   and name HD2 ))
 ASSI {  363}
   (( segid "    " and resid 52   and name HG13))
   (( segid "    " and resid 53   and name H   ))
      4.500     2.600     1.500 peak   363 spectrum    1 weight  0.10000E+01 volume  0.97168E-03 ppm1      0.819 ppm2      8.889 CV     1
 OR {  363}
   (( segid "    " and resid 52   and name HG13))
   (( segid "    " and resid 46   and name H   ))
 OR {  363}
   (( segid "    " and resid 52   and name HG13))
   (( segid "    " and resid 11   and name H   ))
 OR {  363}
   (( segid "    " and resid 52   and name HG13))
   (( segid "    " and resid 48   and name H   ))
 OR {  363}
   (( segid "    " and resid 52   and name HG13))
   (( segid "    " and resid 14   and name H   ))
 OR {  363}
   (( segid "    " and resid 52   and name HG13))
   (( segid "    " and resid 32   and name H   ))
 OR {  363}
   (( segid "    " and resid 52   and name HG13))
   (( segid "    " and resid 31   and name H   ))
 OR {  363}
   (( segid "    " and resid 52   and name HG13))
   (( segid "    " and resid 20   and name H   ))
 ASSI {  364}
   (( segid "    " and resid 40   and name HG  ))
   (( segid "    " and resid 41   and name H   ))
      4.400     2.500     1.600 peak   364 spectrum    1 weight  0.10000E+01 volume  0.10383E-02 ppm1      1.258 ppm2      8.440 CV     1
 OR {  364}
   (( segid "    " and resid 52   and name HG12))
   (( segid "    " and resid 49   and name H   ))
 OR {  364}
   (( segid "    " and resid 40   and name HG  ))
   (( segid "    " and resid 38   and name H   ))
 OR {  364}
   (( segid "    " and resid 52   and name HG12))
   (( segid "    " and resid 43   and name H   ))
 OR {  364}
   (( segid "    " and resid 40   and name HG  ))
   (( segid "    " and resid 37   and name H   ))
 OR {  364}
   (( segid "    " and resid 52   and name HG12))
   (( segid "    " and resid 55   and name H   ))
 OR {  364}
   (( segid "    " and resid 40   and name HG  ))
   (( segid "    " and resid 43   and name H   ))
 OR {  364}
   (( segid "    " and resid 52   and name HG12))
   (( segid "    " and resid 41   and name H   ))
 OR {  364}
   (( segid "    " and resid 52   and name HG12))
   (( segid "    " and resid 38   and name H   ))
 OR {  364}
   (( segid "    " and resid 52   and name HG12))
   (( segid "    " and resid 37   and name H   ))
 OR {  364}
   (( segid "    " and resid 40   and name HG  ))
   (( segid "    " and resid 33   and name H   ))
 OR {  364}
   (( segid "    " and resid 52   and name HG12))
   (( segid "    " and resid 33   and name H   ))
 OR {  364}
   (( segid "    " and resid 40   and name HG  ))
   (( segid "    " and resid 49   and name H   ))
 OR {  364}
   (( segid "    " and resid 40   and name HG  ))
   (( segid "    " and resid 55   and name H   ))
 OR {  364}
   (( segid "    " and resid 40   and name HG  ))
   (( segid "    " and resid 2    and name H   ))
 OR {  364}
   (( segid "    " and resid 40   and name HG  ))
   (( segid "    " and resid 18   and name H   ))
 OR {  364}
   (( segid "    " and resid 61   and name HG  ))
   (( segid "    " and resid 55   and name H   ))
 OR {  364}
   (( segid "    " and resid 61   and name HG  ))
   (( segid "    " and resid 49   and name H   ))
 OR {  364}
   (( segid "    " and resid 52   and name HG12))
   (( segid "    " and resid 18   and name H   ))
 OR {  364}
   (( segid "    " and resid 52   and name HG12))
   (( segid "    " and resid 2    and name H   ))
 OR {  364}
   (( segid "    " and resid 61   and name HG  ))
   (( segid "    " and resid 43   and name H   ))
 OR {  364}
   (( segid "    " and resid 61   and name HG  ))
   (( segid "    " and resid 41   and name H   ))
 OR {  364}
   (( segid "    " and resid 61   and name HG  ))
   (( segid "    " and resid 38   and name H   ))
 OR {  364}
   (( segid "    " and resid 61   and name HG  ))
   (( segid "    " and resid 37   and name H   ))
 OR {  364}
   (( segid "    " and resid 61   and name HG  ))
   (( segid "    " and resid 33   and name H   ))
 OR {  364}
   (( segid "    " and resid 61   and name HG  ))
   (( segid "    " and resid 2    and name H   ))
 OR {  364}
   (( segid "    " and resid 61   and name HG  ))
   (( segid "    " and resid 18   and name H   ))
 OR {  364}
   (( segid "    " and resid 61   and name HG  ))
   (( segid "    " and resid 82   and name H   ))
 OR {  364}
   (( segid "    " and resid 61   and name HG  ))
   (( segid "    " and resid 87   and name H   ))
 OR {  364}
   (( segid "    " and resid 52   and name HG12))
   (( segid "    " and resid 82   and name H   ))
 OR {  364}
   (( segid "    " and resid 40   and name HG  ))
   (( segid "    " and resid 82   and name H   ))
 OR {  364}
   (( segid "    " and resid 52   and name HG12))
   (( segid "    " and resid 87   and name H   ))
 OR {  364}
   (( segid "    " and resid 40   and name HG  ))
   (( segid "    " and resid 87   and name H   ))
 ASSI {  365}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 52   and name HG13))
      2.000     0.500     0.500 peak   365 spectrum    1 weight  0.10000E+01 volume  0.24525E-01 ppm1      0.644 ppm2      0.782 CV     1
 OR {  365}
   (  segid "    " and resid 52   and name HG2%)
   (  segid "    " and resid 44   and name HG2%)
 OR {  365}
   (  segid "    " and resid 52   and name HG2%)
   (  segid "    " and resid 54   and name HD1%)
 OR {  365}
   (  segid "    " and resid 52   and name HG2%)
   (  segid "    " and resid 40   and name HD2%)
 OR {  365}
   (  segid "    " and resid 52   and name HG2%)
   (  segid "    " and resid 40   and name HD1%)
 OR {  365}
   (  segid "    " and resid 52   and name HG2%)
   (  segid "    " and resid 29   and name HG1%)
 OR {  365}
   (  segid "    " and resid 52   and name HG2%)
   (  segid "    " and resid 3    and name HD2%)
 OR {  365}
   (  segid "    " and resid 52   and name HG2%)
   (  segid "    " and resid 27   and name HD1%)
 OR {  365}
   (  segid "    " and resid 52   and name HG2%)
   (  segid "    " and resid 3    and name HD1%)
 OR {  365}
   (  segid "    " and resid 52   and name HG2%)
   (  segid "    " and resid 26   and name HG1%)
 OR {  365}
   (  segid "    " and resid 52   and name HG2%)
   (  segid "    " and resid 2    and name HD1%)
 OR {  365}
   (  segid "    " and resid 52   and name HG2%)
   (  segid "    " and resid 18   and name HD2%)
 OR {  365}
   (  segid "    " and resid 52   and name HG2%)
   (  segid "    " and resid 2    and name HD2%)
 OR {  365}
   (  segid "    " and resid 52   and name HG2%)
   (  segid "    " and resid 22   and name HD1%)
 OR {  365}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 23   and name HB3 ))
 OR {  365}
   (  segid "    " and resid 52   and name HG2%)
   (  segid "    " and resid 72   and name HD2%)
 OR {  365}
   (  segid "    " and resid 52   and name HG2%)
   (  segid "    " and resid 72   and name HD1%)
 OR {  365}
   (  segid "    " and resid 52   and name HG2%)
   (  segid "    " and resid 76   and name HD2%)
 OR {  365}
   (  segid "    " and resid 52   and name HG2%)
   (  segid "    " and resid 76   and name HD1%)
 OR {  365}
   (  segid "    " and resid 52   and name HG2%)
   (  segid "    " and resid 79   and name HD2%)
 OR {  365}
   (  segid "    " and resid 52   and name HG2%)
   (  segid "    " and resid 84   and name HD2%)
 OR {  365}
   (  segid "    " and resid 52   and name HG2%)
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  366}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 45   and name HG  ))
      1.900     0.400     0.400 peak   366 spectrum    1 weight  0.10000E+01 volume  0.39423E-02 ppm1      0.643 ppm2      1.609 CV     1
 OR {  366}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 45   and name HB3 ))
 OR {  366}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 33   and name HB3 ))
 OR {  366}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 13   and name HG  ))
 OR {  366}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 31   and name HB2 ))
 OR {  366}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 16   and name HD2 ))
 OR {  366}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 3    and name HG  ))
 OR {  366}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 25   and name HG3 ))
 OR {  366}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 25   and name HD2 ))
 OR {  366}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 22   and name HB2 ))
 OR {  366}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 22   and name HB3 ))
 OR {  366}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 21   and name HB3 ))
 OR {  366}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 21   and name HB2 ))
 OR {  366}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 21   and name HD2 ))
 OR {  366}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 21   and name HD3 ))
 OR {  366}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 68   and name HB3 ))
 OR {  366}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 70   and name HG2 ))
 OR {  366}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 71   and name HB2 ))
 OR {  366}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 71   and name HD2 ))
 OR {  366}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 71   and name HD3 ))
 OR {  366}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 76   and name HB2 ))
 OR {  366}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 76   and name HG  ))
 OR {  366}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 78   and name HB3 ))
 OR {  366}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 78   and name HD2 ))
 OR {  366}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 78   and name HD3 ))
 OR {  366}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 84   and name HB3 ))
 OR {  366}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 86   and name HD3 ))
 OR {  366}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 86   and name HD2 ))
 ASSI {  367}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 50   and name HB2 ))
      2.400     0.700     0.700 peak   367 spectrum    1 weight  0.10000E+01 volume  0.85508E-03 ppm1      0.642 ppm2      1.765 CV     1
 OR {  367}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 47   and name HB2 ))
 OR {  367}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 41   and name HB2 ))
 OR {  367}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 41   and name HB3 ))
 OR {  367}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 32   and name HB3 ))
 OR {  367}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 29   and name HB  ))
 OR {  367}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 16   and name HB2 ))
 OR {  367}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 4    and name HB2 ))
 OR {  367}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 27   and name HB  ))
 OR {  367}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 17   and name HB3 ))
 OR {  367}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 18   and name HG  ))
 OR {  367}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 24   and name HB3 ))
 OR {  367}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 24   and name HG2 ))
 OR {  367}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 24   and name HG3 ))
 OR {  367}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 68   and name HG3 ))
 OR {  367}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 70   and name HB2 ))
 OR {  367}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 70   and name HB3 ))
 OR {  367}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 71   and name HB3 ))
 OR {  367}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 77   and name HB2 ))
 OR {  367}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 78   and name HB2 ))
 OR {  367}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 85   and name HB3 ))
 OR {  367}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 86   and name HB3 ))
 ASSI {  368}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 54   and name HA  ))
      3.600     1.600     1.600 peak   368 spectrum    1 weight  0.10000E+01 volume  0.16880E-02 ppm1      0.644 ppm2      4.746 CV     1
 OR {  368}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 58   and name HA  ))
 ASSI {  369}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 53   and name HA  ))
      4.300     2.300     1.700 peak   369 spectrum    1 weight  0.10000E+01 volume  0.78290E-03 ppm1      0.644 ppm2      5.100 CV     1
 OR {  369}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 43   and name HA  ))
 ASSI {  370}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 43   and name HZ  ))
      3.100     1.200     1.200 peak   370 spectrum    1 weight  0.10000E+01 volume  0.13770E-02 ppm1      0.642 ppm2      7.029 CV     1
 OR {  370}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 50   and name HE  ))
 OR {  370}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 40   and name H   ))
 OR {  370}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 41   and name HE22))
 OR {  370}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 55   and name HD2 ))
 OR {  370}
   (  segid "    " and resid 52   and name HG2%)
   (  segid "    " and resid 14   and name HD% )
 OR {  370}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 32   and name HE22))
 OR {  370}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 15   and name HE  ))
 OR {  370}
   (  segid "    " and resid 52   and name HG2%)
   (  segid "    " and resid 65   and name HE% )
 OR {  370}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 64   and name HE3 ))
 OR {  370}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 67   and name HD2 ))
 OR {  370}
   (  segid "    " and resid 52   and name HG2%)
   (  segid "    " and resid 81   and name HD% )
 ASSI {  371}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 45   and name H   ))
      2.400     0.700     0.700 peak   371 spectrum    1 weight  0.10000E+01 volume  0.98279E-03 ppm1      0.643 ppm2      9.048 CV     1
 OR {  371}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 30   and name H   ))
 OR {  371}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 27   and name H   ))
 ASSI {  372}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 50   and name HD3 ))
      2.400     0.700     0.700 peak   372 spectrum    1 weight  0.10000E+01 volume  0.91061E-03 ppm1      0.487 ppm2      3.057 CV     1
 OR {  372}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 50   and name HD2 ))
 OR {  372}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 46   and name HB3 ))
 OR {  372}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 39   and name HB2 ))
 OR {  372}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 14   and name HB2 ))
 OR {  372}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 14   and name HB3 ))
 OR {  372}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 58   and name HB3 ))
 OR {  372}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 1    and name HB3 ))
 OR {  372}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 1    and name HB2 ))
 OR {  372}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 24   and name HD3 ))
 OR {  372}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 64   and name HB3 ))
 OR {  372}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 64   and name HB2 ))
 OR {  372}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 65   and name HB3 ))
 OR {  372}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 67   and name HB3 ))
 OR {  372}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 70   and name HD2 ))
 OR {  372}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 70   and name HD3 ))
 OR {  372}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 73   and name HB2 ))
 OR {  372}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 81   and name HB2 ))
 OR {  372}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 85   and name HD3 ))
 OR {  372}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 85   and name HD2 ))
 ASSI {  373}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 52   and name HB  ))
      4.100     2.100     1.900 peak   373 spectrum    1 weight  0.10000E+01 volume  0.10494E-02 ppm1      5.442 ppm2      1.504 CV     1
 OR {  373}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 50   and name HG2 ))
 OR {  373}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 47   and name HG  ))
 OR {  373}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 13   and name HG  ))
 OR {  373}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 15   and name HG2 ))
 OR {  373}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {  373}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 61   and name HB3 ))
 OR {  373}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 3    and name HB3 ))
 OR {  373}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 3    and name HB2 ))
 OR {  373}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 27   and name HG12))
 OR {  373}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 2    and name HB3 ))
 OR {  373}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 18   and name HB2 ))
 OR {  373}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 2    and name HB2 ))
 OR {  373}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 2    and name HG  ))
 OR {  373}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 23   and name HB2 ))
 OR {  373}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {  373}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 22   and name HB3 ))
 OR {  373}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 70   and name HG3 ))
 OR {  373}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {  373}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {  373}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 72   and name HB3 ))
 OR {  373}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 72   and name HG  ))
 OR {  373}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 76   and name HB2 ))
 OR {  373}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 76   and name HB3 ))
 OR {  373}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 79   and name HG  ))
 OR {  373}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 79   and name HB2 ))
 OR {  373}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 84   and name HB2 ))
 OR {  373}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 84   and name HB3 ))
 OR {  373}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 84   and name HG  ))
 OR {  373}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {  373}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 85   and name HG3 ))
 ASSI {  374}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 44   and name HG1%)
      2.400     0.700     0.700 peak   374 spectrum    1 weight  0.10000E+01 volume  0.96614E-03 ppm1      5.433 ppm2      0.397 CV     1
 OR {  374}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 31   and name HD2%)
 OR {  374}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 61   and name HD2%)
 ASSI {  375}
   (( segid "    " and resid 51   and name HB3 ))
   (  segid "    " and resid 44   and name HG1%)
      1.900     0.500     0.500 peak   375 spectrum    1 weight  0.10000E+01 volume  0.33481E-02 ppm1      3.381 ppm2      0.397 CV     1
 OR {  375}
   (( segid "    " and resid 51   and name HB3 ))
   (  segid "    " and resid 31   and name HD2%)
 OR {  375}
   (( segid "    " and resid 51   and name HB3 ))
   (  segid "    " and resid 61   and name HD2%)
 ASSI {  376}
   (( segid "    " and resid 51   and name HB3 ))
   (( segid "    " and resid 52   and name HG13))
      4.200     2.200     1.800 peak   376 spectrum    1 weight  0.10000E+01 volume  0.13270E-02 ppm1      3.377 ppm2      0.782 CV     1
 OR {  376}
   (( segid "    " and resid 51   and name HB3 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  376}
   (( segid "    " and resid 51   and name HB3 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  376}
   (( segid "    " and resid 51   and name HB3 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  376}
   (( segid "    " and resid 51   and name HB3 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  376}
   (( segid "    " and resid 51   and name HB3 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  376}
   (( segid "    " and resid 51   and name HB3 ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  376}
   (( segid "    " and resid 51   and name HB3 ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  376}
   (( segid "    " and resid 51   and name HB3 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  376}
   (( segid "    " and resid 51   and name HB3 ))
   (  segid "    " and resid 3    and name HD1%)
 OR {  376}
   (( segid "    " and resid 51   and name HB3 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  376}
   (( segid "    " and resid 51   and name HB3 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  376}
   (( segid "    " and resid 51   and name HB3 ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  376}
   (( segid "    " and resid 51   and name HB3 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  376}
   (( segid "    " and resid 51   and name HB3 ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {  376}
   (( segid "    " and resid 51   and name HB3 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  376}
   (( segid "    " and resid 51   and name HB3 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  376}
   (( segid "    " and resid 51   and name HB3 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  376}
   (( segid "    " and resid 51   and name HB3 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  376}
   (( segid "    " and resid 51   and name HB3 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  376}
   (( segid "    " and resid 51   and name HB3 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  376}
   (( segid "    " and resid 51   and name HB3 ))
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  377}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 52   and name HG13))
      4.500     2.600     1.500 peak   377 spectrum    1 weight  0.10000E+01 volume  0.11383E-02 ppm1      3.426 ppm2      0.836 CV     1
 OR {  377}
   (( segid "    " and resid 51   and name HB2 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  377}
   (( segid "    " and resid 51   and name HB2 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  377}
   (( segid "    " and resid 51   and name HB2 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  377}
   (( segid "    " and resid 51   and name HB2 ))
   (  segid "    " and resid 13   and name HD1%)
 OR {  377}
   (( segid "    " and resid 51   and name HB2 ))
   (  segid "    " and resid 27   and name HG2%)
 OR {  377}
   (( segid "    " and resid 51   and name HB2 ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  377}
   (( segid "    " and resid 51   and name HB2 ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  377}
   (( segid "    " and resid 51   and name HB2 ))
   (  segid "    " and resid 3    and name HD1%)
 OR {  377}
   (( segid "    " and resid 51   and name HB2 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  377}
   (( segid "    " and resid 51   and name HB2 ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  377}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {  377}
   (( segid "    " and resid 51   and name HB2 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  377}
   (( segid "    " and resid 51   and name HB2 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  377}
   (( segid "    " and resid 51   and name HB2 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  377}
   (( segid "    " and resid 51   and name HB2 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  377}
   (( segid "    " and resid 51   and name HB2 ))
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  378}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 52   and name HB  ))
      4.200     2.200     1.800 peak   378 spectrum    1 weight  0.10000E+01 volume  0.13548E-02 ppm1      3.431 ppm2      1.475 CV     1
 OR {  378}
   (( segid "    " and resid 51   and name HB2 ))
   (  segid "    " and resid 48   and name HB% )
 OR {  378}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 50   and name HG2 ))
 OR {  378}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 47   and name HG  ))
 OR {  378}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 15   and name HB2 ))
 OR {  378}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 15   and name HG2 ))
 OR {  378}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 61   and name HB3 ))
 OR {  378}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {  378}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 3    and name HB3 ))
 OR {  378}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 3    and name HB2 ))
 OR {  378}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 27   and name HG12))
 OR {  378}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 2    and name HB3 ))
 OR {  378}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 18   and name HB2 ))
 OR {  378}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 2    and name HB2 ))
 OR {  378}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 2    and name HG  ))
 OR {  378}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 23   and name HB2 ))
 OR {  378}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 22   and name HG  ))
 OR {  378}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 21   and name HG2 ))
 OR {  378}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 70   and name HG3 ))
 OR {  378}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 72   and name HB3 ))
 OR {  378}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 72   and name HG  ))
 OR {  378}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 76   and name HB2 ))
 OR {  378}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 76   and name HB3 ))
 OR {  378}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 79   and name HG  ))
 OR {  378}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 79   and name HB2 ))
 OR {  378}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 84   and name HB2 ))
 OR {  378}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 84   and name HG  ))
 OR {  378}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {  378}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 85   and name HG3 ))
 ASSI {  379}
   (( segid "    " and resid 51   and name HB3 ))
   (( segid "    " and resid 52   and name HB  ))
      3.900     1.900     1.900 peak   379 spectrum    1 weight  0.10000E+01 volume  0.13937E-02 ppm1      3.374 ppm2      1.473 CV     1
 OR {  379}
   (( segid "    " and resid 51   and name HB3 ))
   (( segid "    " and resid 47   and name HG  ))
 OR {  379}
   (( segid "    " and resid 51   and name HB3 ))
   (  segid "    " and resid 48   and name HB% )
 OR {  379}
   (( segid "    " and resid 51   and name HB3 ))
   (( segid "    " and resid 50   and name HG2 ))
 OR {  379}
   (( segid "    " and resid 51   and name HB3 ))
   (( segid "    " and resid 40   and name HB2 ))
 OR {  379}
   (( segid "    " and resid 51   and name HB3 ))
   (( segid "    " and resid 15   and name HB2 ))
 OR {  379}
   (( segid "    " and resid 51   and name HB3 ))
   (( segid "    " and resid 15   and name HG2 ))
 OR {  379}
   (( segid "    " and resid 51   and name HB3 ))
   (( segid "    " and resid 61   and name HB3 ))
 OR {  379}
   (( segid "    " and resid 51   and name HB3 ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {  379}
   (( segid "    " and resid 51   and name HB3 ))
   (( segid "    " and resid 3    and name HB3 ))
 OR {  379}
   (( segid "    " and resid 51   and name HB3 ))
   (( segid "    " and resid 3    and name HB2 ))
 OR {  379}
   (( segid "    " and resid 51   and name HB3 ))
   (( segid "    " and resid 27   and name HG12))
 OR {  379}
   (( segid "    " and resid 51   and name HB3 ))
   (( segid "    " and resid 2    and name HB3 ))
 OR {  379}
   (( segid "    " and resid 51   and name HB3 ))
   (( segid "    " and resid 2    and name HB2 ))
 OR {  379}
   (( segid "    " and resid 51   and name HB3 ))
   (( segid "    " and resid 18   and name HB2 ))
 OR {  379}
   (( segid "    " and resid 51   and name HB3 ))
   (( segid "    " and resid 2    and name HG  ))
 OR {  379}
   (( segid "    " and resid 51   and name HB3 ))
   (( segid "    " and resid 23   and name HB2 ))
 OR {  379}
   (( segid "    " and resid 51   and name HB3 ))
   (( segid "    " and resid 22   and name HG  ))
 OR {  379}
   (( segid "    " and resid 51   and name HB3 ))
   (( segid "    " and resid 21   and name HG2 ))
 OR {  379}
   (( segid "    " and resid 51   and name HB3 ))
   (( segid "    " and resid 70   and name HG3 ))
 OR {  379}
   (( segid "    " and resid 51   and name HB3 ))
   (( segid "    " and resid 72   and name HB3 ))
 OR {  379}
   (( segid "    " and resid 51   and name HB3 ))
   (( segid "    " and resid 72   and name HG  ))
 OR {  379}
   (( segid "    " and resid 51   and name HB3 ))
   (( segid "    " and resid 76   and name HB2 ))
 OR {  379}
   (( segid "    " and resid 51   and name HB3 ))
   (( segid "    " and resid 76   and name HB3 ))
 OR {  379}
   (( segid "    " and resid 51   and name HB3 ))
   (( segid "    " and resid 79   and name HG  ))
 OR {  379}
   (( segid "    " and resid 51   and name HB3 ))
   (( segid "    " and resid 79   and name HB2 ))
 OR {  379}
   (( segid "    " and resid 51   and name HB3 ))
   (( segid "    " and resid 84   and name HB2 ))
 OR {  379}
   (( segid "    " and resid 51   and name HB3 ))
   (( segid "    " and resid 84   and name HG  ))
 OR {  379}
   (( segid "    " and resid 51   and name HB3 ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {  379}
   (( segid "    " and resid 51   and name HB3 ))
   (( segid "    " and resid 85   and name HG3 ))
 ASSI {  380}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 52   and name H   ))
      3.900     1.900     1.900 peak   380 spectrum    1 weight  0.10000E+01 volume  0.20433E-02 ppm1      3.419 ppm2      8.755 CV     1
 OR {  380}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 47   and name H   ))
 OR {  380}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 42   and name H   ))
 OR {  380}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 34   and name H   ))
 OR {  380}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 60   and name H   ))
 OR {  380}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 29   and name H   ))
 ASSI {  381}
   (( segid "    " and resid 51   and name HB3 ))
   (( segid "    " and resid 52   and name H   ))
      2.600     0.800     0.800 peak   381 spectrum    1 weight  0.10000E+01 volume  0.19711E-02 ppm1      3.372 ppm2      8.757 CV     1
 OR {  381}
   (( segid "    " and resid 51   and name HB3 ))
   (( segid "    " and resid 47   and name H   ))
 OR {  381}
   (( segid "    " and resid 51   and name HB3 ))
   (( segid "    " and resid 42   and name H   ))
 OR {  381}
   (( segid "    " and resid 51   and name HB3 ))
   (( segid "    " and resid 34   and name H   ))
 OR {  381}
   (( segid "    " and resid 51   and name HB3 ))
   (( segid "    " and resid 60   and name H   ))
 OR {  381}
   (( segid "    " and resid 51   and name HB3 ))
   (( segid "    " and resid 29   and name H   ))
 ASSI {  382}
   (( segid "    " and resid 70   and name HD3 ))
   (  segid "    " and resid 72   and name HD1%)
      3.800     1.800     1.800 peak   382 spectrum    1 weight  0.10000E+01 volume  0.27929E-02 ppm1      3.025 ppm2      0.702 CV     1
 OR {  382}
   (( segid "    " and resid 50   and name HD3 ))
   (  segid "    " and resid 52   and name HG2%)
 OR {  382}
   (( segid "    " and resid 70   and name HD2 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  382}
   (( segid "    " and resid 50   and name HD2 ))
   (  segid "    " and resid 52   and name HG2%)
 OR {  382}
   (( segid "    " and resid 50   and name HD3 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  382}
   (( segid "    " and resid 50   and name HD3 ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  382}
   (( segid "    " and resid 50   and name HD3 ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  382}
   (( segid "    " and resid 50   and name HD2 ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  382}
   (( segid "    " and resid 50   and name HD2 ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  382}
   (( segid "    " and resid 50   and name HD2 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  382}
   (( segid "    " and resid 50   and name HD3 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  382}
   (( segid "    " and resid 50   and name HD2 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  382}
   (( segid "    " and resid 50   and name HD3 ))
   (  segid "    " and resid 31   and name HD1%)
 OR {  382}
   (( segid "    " and resid 50   and name HD2 ))
   (  segid "    " and resid 31   and name HD1%)
 OR {  382}
   (( segid "    " and resid 50   and name HD3 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  382}
   (( segid "    " and resid 50   and name HD2 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  382}
   (( segid "    " and resid 70   and name HD3 ))
   (  segid "    " and resid 79   and name HD1%)
 OR {  382}
   (( segid "    " and resid 70   and name HD2 ))
   (  segid "    " and resid 79   and name HD1%)
 OR {  382}
   (( segid "    " and resid 70   and name HD3 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  382}
   (( segid "    " and resid 70   and name HD2 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  382}
   (( segid "    " and resid 50   and name HD3 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  382}
   (( segid "    " and resid 50   and name HD2 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  382}
   (( segid "    " and resid 50   and name HD3 ))
   (  segid "    " and resid 26   and name HG2%)
 OR {  382}
   (( segid "    " and resid 50   and name HD2 ))
   (  segid "    " and resid 26   and name HG2%)
 OR {  382}
   (( segid "    " and resid 50   and name HD3 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  382}
   (( segid "    " and resid 50   and name HD3 ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  382}
   (( segid "    " and resid 50   and name HD2 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  382}
   (( segid "    " and resid 50   and name HD2 ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  382}
   (( segid "    " and resid 50   and name HD3 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  382}
   (( segid "    " and resid 50   and name HD3 ))
   (  segid "    " and resid 22   and name HD2%)
 OR {  382}
   (( segid "    " and resid 50   and name HD2 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  382}
   (( segid "    " and resid 50   and name HD2 ))
   (  segid "    " and resid 22   and name HD2%)
 OR {  382}
   (( segid "    " and resid 70   and name HD3 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  382}
   (( segid "    " and resid 70   and name HD2 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  382}
   (( segid "    " and resid 70   and name HD2 ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  382}
   (( segid "    " and resid 70   and name HD3 ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  382}
   (( segid "    " and resid 70   and name HD2 ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  382}
   (( segid "    " and resid 70   and name HD3 ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  382}
   (( segid "    " and resid 70   and name HD2 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  382}
   (( segid "    " and resid 70   and name HD3 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  382}
   (( segid "    " and resid 70   and name HD2 ))
   (  segid "    " and resid 52   and name HG2%)
 OR {  382}
   (( segid "    " and resid 70   and name HD3 ))
   (  segid "    " and resid 52   and name HG2%)
 OR {  382}
   (( segid "    " and resid 50   and name HD2 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  382}
   (( segid "    " and resid 50   and name HD3 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  382}
   (( segid "    " and resid 70   and name HD2 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  382}
   (( segid "    " and resid 70   and name HD3 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  382}
   (( segid "    " and resid 70   and name HD2 ))
   (  segid "    " and resid 31   and name HD1%)
 OR {  382}
   (( segid "    " and resid 70   and name HD3 ))
   (  segid "    " and resid 31   and name HD1%)
 OR {  382}
   (( segid "    " and resid 70   and name HD2 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  382}
   (( segid "    " and resid 70   and name HD3 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  382}
   (( segid "    " and resid 50   and name HD2 ))
   (  segid "    " and resid 79   and name HD1%)
 OR {  382}
   (( segid "    " and resid 50   and name HD3 ))
   (  segid "    " and resid 79   and name HD1%)
 OR {  382}
   (( segid "    " and resid 50   and name HD2 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  382}
   (( segid "    " and resid 50   and name HD3 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  382}
   (( segid "    " and resid 70   and name HD2 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  382}
   (( segid "    " and resid 70   and name HD3 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  382}
   (( segid "    " and resid 70   and name HD2 ))
   (  segid "    " and resid 26   and name HG2%)
 OR {  382}
   (( segid "    " and resid 70   and name HD3 ))
   (  segid "    " and resid 26   and name HG2%)
 OR {  382}
   (( segid "    " and resid 70   and name HD2 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  382}
   (( segid "    " and resid 70   and name HD3 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  382}
   (( segid "    " and resid 70   and name HD2 ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  382}
   (( segid "    " and resid 70   and name HD3 ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  382}
   (( segid "    " and resid 70   and name HD2 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  382}
   (( segid "    " and resid 70   and name HD3 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  382}
   (( segid "    " and resid 70   and name HD2 ))
   (  segid "    " and resid 22   and name HD2%)
 OR {  382}
   (( segid "    " and resid 70   and name HD3 ))
   (  segid "    " and resid 22   and name HD2%)
 OR {  382}
   (( segid "    " and resid 50   and name HD2 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  382}
   (( segid "    " and resid 50   and name HD3 ))
   (  segid "    " and resid 84   and name HD2%)
 ASSI {  383}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 50   and name HG3 ))
      2.600     0.800     0.800 peak   383 spectrum    1 weight  0.10000E+01 volume  0.33870E-02 ppm1      3.020 ppm2      1.250 CV     1
 OR {  383}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 50   and name HG3 ))
 OR {  383}
   (( segid "    " and resid 70   and name HD3 ))
   (( segid "    " and resid 71   and name HG2 ))
 OR {  383}
   (( segid "    " and resid 70   and name HD2 ))
   (( segid "    " and resid 71   and name HG2 ))
 OR {  383}
   (( segid "    " and resid 50   and name HD3 ))
   (  segid "    " and resid 54   and name HG2%)
 OR {  383}
   (( segid "    " and resid 50   and name HD2 ))
   (  segid "    " and resid 54   and name HG2%)
 OR {  383}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 52   and name HG12))
 OR {  383}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 52   and name HG12))
 OR {  383}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 54   and name HG13))
 OR {  383}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 54   and name HG12))
 OR {  383}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 54   and name HG13))
 OR {  383}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 54   and name HG12))
 OR {  383}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 45   and name HB2 ))
 OR {  383}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 45   and name HB2 ))
 OR {  383}
   (( segid "    " and resid 50   and name HD3 ))
   (  segid "    " and resid 8    and name HB% )
 OR {  383}
   (( segid "    " and resid 50   and name HD2 ))
   (  segid "    " and resid 8    and name HB% )
 OR {  383}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 40   and name HB3 ))
 OR {  383}
   (( segid "    " and resid 50   and name HD3 ))
   (  segid "    " and resid 34   and name HB% )
 OR {  383}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 40   and name HB3 ))
 OR {  383}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 40   and name HG  ))
 OR {  383}
   (( segid "    " and resid 50   and name HD2 ))
   (  segid "    " and resid 34   and name HB% )
 OR {  383}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 40   and name HG  ))
 OR {  383}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 31   and name HB3 ))
 OR {  383}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 31   and name HB3 ))
 OR {  383}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 61   and name HG  ))
 OR {  383}
   (( segid "    " and resid 70   and name HD3 ))
   (( segid "    " and resid 79   and name HB3 ))
 OR {  383}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 61   and name HG  ))
 OR {  383}
   (( segid "    " and resid 70   and name HD2 ))
   (( segid "    " and resid 79   and name HB3 ))
 OR {  383}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 16   and name HG3 ))
 OR {  383}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 16   and name HB3 ))
 OR {  383}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 16   and name HG2 ))
 OR {  383}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 16   and name HG3 ))
 OR {  383}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 16   and name HB3 ))
 OR {  383}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 16   and name HG2 ))
 OR {  383}
   (( segid "    " and resid 70   and name HD2 ))
   (( segid "    " and resid 61   and name HG  ))
 OR {  383}
   (( segid "    " and resid 70   and name HD3 ))
   (( segid "    " and resid 61   and name HG  ))
 OR {  383}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 18   and name HB3 ))
 OR {  383}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 18   and name HB3 ))
 OR {  383}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 21   and name HG3 ))
 OR {  383}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 21   and name HG3 ))
 OR {  383}
   (( segid "    " and resid 70   and name HD2 ))
   (  segid "    " and resid 54   and name HG2%)
 OR {  383}
   (( segid "    " and resid 70   and name HD3 ))
   (  segid "    " and resid 54   and name HG2%)
 OR {  383}
   (( segid "    " and resid 70   and name HD2 ))
   (( segid "    " and resid 54   and name HG13))
 OR {  383}
   (( segid "    " and resid 70   and name HD2 ))
   (( segid "    " and resid 54   and name HG12))
 OR {  383}
   (( segid "    " and resid 70   and name HD3 ))
   (( segid "    " and resid 54   and name HG13))
 OR {  383}
   (( segid "    " and resid 70   and name HD3 ))
   (( segid "    " and resid 54   and name HG12))
 OR {  383}
   (( segid "    " and resid 70   and name HD2 ))
   (( segid "    " and resid 50   and name HG3 ))
 OR {  383}
   (( segid "    " and resid 70   and name HD3 ))
   (( segid "    " and resid 50   and name HG3 ))
 OR {  383}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 71   and name HG2 ))
 OR {  383}
   (( segid "    " and resid 70   and name HD2 ))
   (( segid "    " and resid 45   and name HB2 ))
 OR {  383}
   (( segid "    " and resid 70   and name HD3 ))
   (( segid "    " and resid 45   and name HB2 ))
 OR {  383}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 71   and name HG2 ))
 OR {  383}
   (( segid "    " and resid 70   and name HD2 ))
   (( segid "    " and resid 52   and name HG12))
 OR {  383}
   (( segid "    " and resid 70   and name HD3 ))
   (( segid "    " and resid 52   and name HG12))
 OR {  383}
   (( segid "    " and resid 70   and name HD2 ))
   (  segid "    " and resid 8    and name HB% )
 OR {  383}
   (( segid "    " and resid 70   and name HD3 ))
   (  segid "    " and resid 8    and name HB% )
 OR {  383}
   (( segid "    " and resid 70   and name HD2 ))
   (  segid "    " and resid 34   and name HB% )
 OR {  383}
   (( segid "    " and resid 70   and name HD3 ))
   (  segid "    " and resid 34   and name HB% )
 OR {  383}
   (( segid "    " and resid 70   and name HD2 ))
   (( segid "    " and resid 40   and name HB3 ))
 OR {  383}
   (( segid "    " and resid 70   and name HD3 ))
   (( segid "    " and resid 40   and name HB3 ))
 OR {  383}
   (( segid "    " and resid 70   and name HD2 ))
   (( segid "    " and resid 40   and name HG  ))
 OR {  383}
   (( segid "    " and resid 70   and name HD3 ))
   (( segid "    " and resid 40   and name HG  ))
 OR {  383}
   (( segid "    " and resid 70   and name HD2 ))
   (( segid "    " and resid 31   and name HB3 ))
 OR {  383}
   (( segid "    " and resid 70   and name HD3 ))
   (( segid "    " and resid 31   and name HB3 ))
 OR {  383}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 79   and name HB3 ))
 OR {  383}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 79   and name HB3 ))
 OR {  383}
   (( segid "    " and resid 70   and name HD2 ))
   (( segid "    " and resid 16   and name HB3 ))
 OR {  383}
   (( segid "    " and resid 70   and name HD2 ))
   (( segid "    " and resid 16   and name HG3 ))
 OR {  383}
   (( segid "    " and resid 70   and name HD3 ))
   (( segid "    " and resid 16   and name HB3 ))
 OR {  383}
   (( segid "    " and resid 70   and name HD3 ))
   (( segid "    " and resid 16   and name HG3 ))
 OR {  383}
   (( segid "    " and resid 70   and name HD2 ))
   (( segid "    " and resid 16   and name HG2 ))
 OR {  383}
   (( segid "    " and resid 70   and name HD3 ))
   (( segid "    " and resid 16   and name HG2 ))
 OR {  383}
   (( segid "    " and resid 70   and name HD2 ))
   (( segid "    " and resid 18   and name HB3 ))
 OR {  383}
   (( segid "    " and resid 70   and name HD3 ))
   (( segid "    " and resid 18   and name HB3 ))
 OR {  383}
   (( segid "    " and resid 70   and name HD2 ))
   (( segid "    " and resid 21   and name HG3 ))
 OR {  383}
   (( segid "    " and resid 70   and name HD3 ))
   (( segid "    " and resid 21   and name HG3 ))
 ASSI {  385}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 51   and name H   ))
      4.200     2.200     1.800 peak   385 spectrum    1 weight  0.10000E+01 volume  0.99389E-03 ppm1      3.068 ppm2      8.523 CV     1
 OR {  385}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 51   and name H   ))
 OR {  385}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 41   and name H   ))
 OR {  385}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 41   and name H   ))
 OR {  385}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 13   and name H   ))
 OR {  385}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 13   and name H   ))
 OR {  385}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 37   and name H   ))
 OR {  385}
   (( segid "    " and resid 24   and name HD3 ))
   (( segid "    " and resid 37   and name H   ))
 OR {  385}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 37   and name H   ))
 OR {  385}
   (( segid "    " and resid 24   and name HD3 ))
   (( segid "    " and resid 13   and name H   ))
 OR {  385}
   (( segid "    " and resid 24   and name HD3 ))
   (( segid "    " and resid 41   and name H   ))
 OR {  385}
   (( segid "    " and resid 24   and name HD3 ))
   (( segid "    " and resid 51   and name H   ))
 OR {  385}
   (( segid "    " and resid 70   and name HD2 ))
   (( segid "    " and resid 51   and name H   ))
 OR {  385}
   (( segid "    " and resid 70   and name HD3 ))
   (( segid "    " and resid 51   and name H   ))
 OR {  385}
   (( segid "    " and resid 70   and name HD2 ))
   (( segid "    " and resid 41   and name H   ))
 OR {  385}
   (( segid "    " and resid 70   and name HD3 ))
   (( segid "    " and resid 41   and name H   ))
 OR {  385}
   (( segid "    " and resid 70   and name HD2 ))
   (( segid "    " and resid 13   and name H   ))
 OR {  385}
   (( segid "    " and resid 70   and name HD3 ))
   (( segid "    " and resid 13   and name H   ))
 OR {  385}
   (( segid "    " and resid 70   and name HD2 ))
   (( segid "    " and resid 37   and name H   ))
 OR {  385}
   (( segid "    " and resid 70   and name HD3 ))
   (( segid "    " and resid 37   and name H   ))
 OR {  385}
   (( segid "    " and resid 85   and name HD3 ))
   (( segid "    " and resid 51   and name H   ))
 OR {  385}
   (( segid "    " and resid 85   and name HD2 ))
   (( segid "    " and resid 51   and name H   ))
 OR {  385}
   (( segid "    " and resid 85   and name HD3 ))
   (( segid "    " and resid 41   and name H   ))
 OR {  385}
   (( segid "    " and resid 85   and name HD2 ))
   (( segid "    " and resid 41   and name H   ))
 OR {  385}
   (( segid "    " and resid 85   and name HD3 ))
   (( segid "    " and resid 13   and name H   ))
 OR {  385}
   (( segid "    " and resid 85   and name HD2 ))
   (( segid "    " and resid 13   and name H   ))
 OR {  385}
   (( segid "    " and resid 85   and name HD3 ))
   (( segid "    " and resid 37   and name H   ))
 OR {  385}
   (( segid "    " and resid 85   and name HD2 ))
   (( segid "    " and resid 37   and name H   ))
 ASSI {  387}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 50   and name H   ))
      4.000     2.000     2.000 peak   387 spectrum    1 weight  0.10000E+01 volume  0.11827E-02 ppm1      1.866 ppm2      7.235 CV     1
 OR {  387}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 26   and name H   ))
 OR {  387}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 50   and name H   ))
 OR {  387}
   (( segid "    " and resid 50   and name HB3 ))
   (  segid "    " and resid 43   and name HE% )
 OR {  387}
   (( segid "    " and resid 28   and name HB3 ))
   (  segid "    " and resid 1    and name HE% )
 OR {  387}
   (( segid "    " and resid 15   and name HB3 ))
   (  segid "    " and resid 1    and name HE% )
 OR {  387}
   (( segid "    " and resid 56   and name HB3 ))
   (  segid "    " and resid 43   and name HE% )
 OR {  387}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 26   and name H   ))
 OR {  387}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 1    and name HZ  ))
 OR {  387}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 22   and name H   ))
 OR {  387}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 1    and name HZ  ))
 OR {  387}
   (( segid "    " and resid 15   and name HB3 ))
   (  segid "    " and resid 43   and name HE% )
 OR {  387}
   (( segid "    " and resid 28   and name HB3 ))
   (  segid "    " and resid 43   and name HE% )
 OR {  387}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 22   and name H   ))
 OR {  387}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 50   and name H   ))
 OR {  387}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 50   and name H   ))
 OR {  387}
   (( segid "    " and resid 56   and name HB3 ))
   (  segid "    " and resid 65   and name HD% )
 OR {  387}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 64   and name HZ2 ))
 OR {  387}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 26   and name H   ))
 OR {  387}
   (( segid "    " and resid 50   and name HB3 ))
   (  segid "    " and resid 1    and name HE% )
 OR {  387}
   (( segid "    " and resid 50   and name HB3 ))
   (  segid "    " and resid 65   and name HD% )
 OR {  387}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 64   and name HZ2 ))
 OR {  387}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 1    and name HZ  ))
 OR {  387}
   (( segid "    " and resid 56   and name HB3 ))
   (  segid "    " and resid 1    and name HE% )
 OR {  387}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 26   and name H   ))
 OR {  387}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 22   and name H   ))
 OR {  387}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 1    and name HZ  ))
 OR {  387}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 22   and name H   ))
 OR {  387}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 70   and name HE  ))
 OR {  387}
   (( segid "    " and resid 15   and name HB3 ))
   (  segid "    " and resid 65   and name HD% )
 OR {  387}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 70   and name HE  ))
 OR {  387}
   (( segid "    " and resid 28   and name HB3 ))
   (  segid "    " and resid 65   and name HD% )
 OR {  387}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 64   and name HZ2 ))
 OR {  387}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 64   and name HZ2 ))
 OR {  387}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 70   and name HE  ))
 OR {  387}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 70   and name HE  ))
 OR {  387}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 85   and name HE  ))
 OR {  387}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 85   and name HE  ))
 OR {  387}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 85   and name HE  ))
 OR {  387}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 85   and name HE  ))
 ASSI {  388}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 51   and name H   ))
      3.300     1.300     1.300 peak   388 spectrum    1 weight  0.10000E+01 volume  0.19489E-02 ppm1      1.872 ppm2      8.535 CV     1
 OR {  388}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 13   and name H   ))
 OR {  388}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 37   and name H   ))
 ASSI {  389}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 51   and name H   ))
      3.300     1.400     1.400 peak   389 spectrum    1 weight  0.10000E+01 volume  0.22099E-02 ppm1      1.799 ppm2      8.538 CV     1
 OR {  389}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 13   and name H   ))
 OR {  389}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 37   and name H   ))
 ASSI {  390}
   (( segid "    " and resid 40   and name HG  ))
   (( segid "    " and resid 39   and name HA  ))
      3.800     1.800     1.800 peak   390 spectrum    1 weight  0.10000E+01 volume  0.97168E-03 ppm1      1.259 ppm2      4.630 CV     1
 OR {  390}
   (( segid "    " and resid 50   and name HG3 ))
   (( segid "    " and resid 50   and name HA  ))
 OR {  390}
   (( segid "    " and resid 40   and name HG  ))
   (( segid "    " and resid 38   and name HA  ))
 OR {  390}
   (( segid "    " and resid 40   and name HG  ))
   (( segid "    " and resid 41   and name HA  ))
 OR {  390}
   (( segid "    " and resid 40   and name HG  ))
   (( segid "    " and resid 35   and name HA  ))
 OR {  390}
   (( segid "    " and resid 50   and name HG3 ))
   (( segid "    " and resid 45   and name HA  ))
 OR {  390}
   (( segid "    " and resid 40   and name HG  ))
   (( segid "    " and resid 4    and name HA  ))
 OR {  390}
   (( segid "    " and resid 40   and name HG  ))
   (( segid "    " and resid 45   and name HA  ))
 OR {  390}
   (( segid "    " and resid 50   and name HG3 ))
   (( segid "    " and resid 58   and name HA  ))
 OR {  390}
   (( segid "    " and resid 50   and name HG3 ))
   (( segid "    " and resid 41   and name HA  ))
 OR {  390}
   (( segid "    " and resid 40   and name HG  ))
   (( segid "    " and resid 28   and name HA  ))
 OR {  390}
   (( segid "    " and resid 40   and name HG  ))
   (( segid "    " and resid 50   and name HA  ))
 OR {  390}
   (( segid "    " and resid 50   and name HG3 ))
   (( segid "    " and resid 35   and name HA  ))
 OR {  390}
   (( segid "    " and resid 50   and name HG3 ))
   (( segid "    " and resid 38   and name HA  ))
 OR {  390}
   (( segid "    " and resid 50   and name HG3 ))
   (( segid "    " and resid 39   and name HA  ))
 OR {  390}
   (( segid "    " and resid 40   and name HG  ))
   (( segid "    " and resid 58   and name HA  ))
 OR {  390}
   (( segid "    " and resid 50   and name HG3 ))
   (( segid "    " and resid 4    and name HA  ))
 OR {  390}
   (( segid "    " and resid 50   and name HG3 ))
   (( segid "    " and resid 28   and name HA  ))
 OR {  390}
   (( segid "    " and resid 50   and name HG3 ))
   (( segid "    " and resid 73   and name HA  ))
 OR {  390}
   (( segid "    " and resid 40   and name HG  ))
   (( segid "    " and resid 73   and name HA  ))
 OR {  390}
   (( segid "    " and resid 50   and name HG3 ))
   (( segid "    " and resid 80   and name HA  ))
 OR {  390}
   (( segid "    " and resid 40   and name HG  ))
   (( segid "    " and resid 80   and name HA  ))
 ASSI {  391}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 42   and name HA  ))
      3.100     1.200     1.200 peak   391 spectrum    1 weight  0.10000E+01 volume  0.28151E-02 ppm1      2.300 ppm2      4.338 CV     1
 OR {  391}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 55   and name HA  ))
 OR {  391}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 55   and name HA  ))
 OR {  391}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 56   and name HA  ))
 OR {  391}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 56   and name HA  ))
 OR {  391}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 8    and name HA  ))
 OR {  391}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 11   and name HA  ))
 OR {  391}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 13   and name HA  ))
 OR {  391}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 6    and name HA  ))
 OR {  391}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 42   and name HA  ))
 OR {  391}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 42   and name HA  ))
 OR {  391}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 55   and name HA  ))
 OR {  391}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 5    and name HA  ))
 OR {  391}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 11   and name HA  ))
 OR {  391}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 11   and name HA  ))
 OR {  391}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 33   and name HA  ))
 OR {  391}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 56   and name HA  ))
 OR {  391}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 15   and name HA  ))
 OR {  391}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 60   and name HA  ))
 OR {  391}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 8    and name HA  ))
 OR {  391}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 8    and name HA  ))
 OR {  391}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 60   and name HA  ))
 OR {  391}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 16   and name HA  ))
 OR {  391}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 33   and name HA  ))
 OR {  391}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 33   and name HA  ))
 OR {  391}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 13   and name HA  ))
 OR {  391}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 13   and name HA  ))
 OR {  391}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 2    and name HA  ))
 OR {  391}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 6    and name HA  ))
 OR {  391}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 6    and name HA  ))
 OR {  391}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 25   and name HA  ))
 OR {  391}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 15   and name HA  ))
 OR {  391}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 5    and name HA  ))
 OR {  391}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 15   and name HA  ))
 OR {  391}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 5    and name HA  ))
 OR {  391}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 19   and name HA  ))
 OR {  391}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 60   and name HA  ))
 OR {  391}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 16   and name HA  ))
 OR {  391}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 16   and name HA  ))
 OR {  391}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 64   and name HA  ))
 OR {  391}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 64   and name HA  ))
 OR {  391}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 2    and name HA  ))
 OR {  391}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 2    and name HA  ))
 OR {  391}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 25   and name HA  ))
 OR {  391}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 25   and name HA  ))
 OR {  391}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 19   and name HA  ))
 OR {  391}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 19   and name HA  ))
 OR {  391}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 64   and name HA  ))
 OR {  391}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 75   and name HA  ))
 OR {  391}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 75   and name HA  ))
 OR {  391}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 77   and name HA  ))
 OR {  391}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 77   and name HA  ))
 OR {  391}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 75   and name HA  ))
 OR {  391}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 77   and name HA  ))
 OR {  391}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 83   and name HA  ))
 OR {  391}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 83   and name HA  ))
 OR {  391}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 83   and name HA  ))
 ASSI {  392}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 49   and name HE22))
      3.400     1.500     1.500 peak   392 spectrum    1 weight  0.10000E+01 volume  0.46085E-02 ppm1      2.279 ppm2      6.814 CV     1
 OR {  392}
   (( segid "    " and resid 63   and name HG2 ))
   (( segid "    " and resid 63   and name HE22))
 OR {  392}
   (( segid "    " and resid 63   and name HG3 ))
   (( segid "    " and resid 63   and name HE22))
 OR {  392}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 49   and name HE22))
 OR {  392}
   (( segid "    " and resid 63   and name HG2 ))
   (( segid "    " and resid 64   and name HD1 ))
 OR {  392}
   (( segid "    " and resid 63   and name HG3 ))
   (( segid "    " and resid 64   and name HD1 ))
 OR {  392}
   (( segid "    " and resid 41   and name HG2 ))
   (  segid "    " and resid 43   and name HD% )
 OR {  392}
   (( segid "    " and resid 49   and name HG3 ))
   (  segid "    " and resid 43   and name HD% )
 OR {  392}
   (( segid "    " and resid 63   and name HG2 ))
   (( segid "    " and resid 65   and name HZ  ))
 OR {  392}
   (( segid "    " and resid 49   and name HG2 ))
   (  segid "    " and resid 43   and name HD% )
 OR {  392}
   (( segid "    " and resid 63   and name HG3 ))
   (( segid "    " and resid 65   and name HZ  ))
 OR {  392}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 12   and name HE21))
 OR {  392}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 57   and name HE22))
 OR {  392}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 57   and name HE22))
 OR {  392}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 49   and name HE22))
 OR {  392}
   (( segid "    " and resid 63   and name HG2 ))
   (( segid "    " and resid 68   and name HE22))
 OR {  392}
   (( segid "    " and resid 63   and name HG3 ))
   (( segid "    " and resid 57   and name HE22))
 OR {  392}
   (( segid "    " and resid 63   and name HG2 ))
   (( segid "    " and resid 57   and name HE22))
 OR {  392}
   (( segid "    " and resid 63   and name HG3 ))
   (( segid "    " and resid 68   and name HE22))
 OR {  392}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 12   and name HE21))
 OR {  392}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 12   and name HE21))
 OR {  392}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 57   and name HE22))
 OR {  392}
   (( segid "    " and resid 63   and name HG3 ))
   (( segid "    " and resid 49   and name HE22))
 OR {  392}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 63   and name HE22))
 OR {  392}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 64   and name HD1 ))
 OR {  392}
   (( segid "    " and resid 63   and name HG2 ))
   (( segid "    " and resid 49   and name HE22))
 OR {  392}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 63   and name HE22))
 OR {  392}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 64   and name HD1 ))
 OR {  392}
   (( segid "    " and resid 63   and name HG3 ))
   (  segid "    " and resid 43   and name HD% )
 OR {  392}
   (( segid "    " and resid 63   and name HG2 ))
   (  segid "    " and resid 43   and name HD% )
 OR {  392}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 65   and name HZ  ))
 OR {  392}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 65   and name HZ  ))
 OR {  392}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 63   and name HE22))
 OR {  392}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 64   and name HD1 ))
 OR {  392}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 68   and name HE22))
 OR {  392}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 68   and name HE22))
 OR {  392}
   (( segid "    " and resid 63   and name HG3 ))
   (( segid "    " and resid 12   and name HE21))
 OR {  392}
   (( segid "    " and resid 63   and name HG2 ))
   (( segid "    " and resid 12   and name HE21))
 OR {  392}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 65   and name HZ  ))
 OR {  392}
   (( segid "    " and resid 63   and name HG2 ))
   (( segid "    " and resid 80   and name HD22))
 OR {  392}
   (( segid "    " and resid 63   and name HG3 ))
   (( segid "    " and resid 80   and name HD22))
 OR {  392}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 68   and name HE22))
 OR {  392}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 80   and name HD22))
 OR {  392}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 80   and name HD22))
 OR {  392}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 80   and name HD22))
 ASSI {  393}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 49   and name HE21))
      2.300     0.700     0.700 peak   393 spectrum    1 weight  0.10000E+01 volume  0.48863E-02 ppm1      2.280 ppm2      7.508 CV     1
 OR {  393}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 49   and name HE21))
 OR {  393}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 57   and name HE21))
 OR {  393}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 57   and name HE21))
 OR {  393}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 61   and name H   ))
 OR {  393}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 12   and name HE22))
 OR {  393}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 12   and name HE22))
 OR {  393}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 61   and name H   ))
 OR {  393}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 36   and name H   ))
 OR {  393}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 36   and name H   ))
 OR {  393}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 28   and name H   ))
 OR {  393}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 28   and name H   ))
 OR {  393}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 80   and name HD21))
 OR {  393}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 80   and name HD21))
 ASSI {  394}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 50   and name H   ))
      4.200     2.200     1.800 peak   394 spectrum    1 weight  0.10000E+01 volume  0.86064E-03 ppm1      2.218 ppm2      7.225 CV     1
 OR {  394}
   (( segid "    " and resid 49   and name HB2 ))
   (  segid "    " and resid 43   and name HE% )
 OR {  394}
   (( segid "    " and resid 49   and name HB2 ))
   (  segid "    " and resid 65   and name HD% )
 OR {  394}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 26   and name H   ))
 OR {  394}
   (( segid "    " and resid 49   and name HB2 ))
   (  segid "    " and resid 1    and name HE% )
 OR {  394}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 64   and name HZ2 ))
 OR {  394}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 1    and name HZ  ))
 OR {  394}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 22   and name H   ))
 OR {  394}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 70   and name HE  ))
 OR {  394}
   (( segid "    " and resid 49   and name HB2 ))
   (  segid "    " and resid 81   and name HE% )
 OR {  394}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 85   and name HE  ))
 ASSI {  395}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 52   and name HG13))
      3.400     1.400     1.400 peak   395 spectrum    1 weight  0.10000E+01 volume  0.29150E-02 ppm1      1.419 ppm2      0.866 CV     1
 OR {  395}
   (  segid "    " and resid 48   and name HB% )
   (  segid "    " and resid 13   and name HD1%)
 OR {  395}
   (  segid "    " and resid 48   and name HB% )
   (  segid "    " and resid 27   and name HG2%)
 OR {  395}
   (  segid "    " and resid 48   and name HB% )
   (  segid "    " and resid 3    and name HD2%)
 OR {  395}
   (  segid "    " and resid 48   and name HB% )
   (  segid "    " and resid 26   and name HG1%)
 OR {  395}
   (  segid "    " and resid 48   and name HB% )
   (  segid "    " and resid 3    and name HD1%)
 OR {  395}
   (  segid "    " and resid 48   and name HB% )
   (  segid "    " and resid 2    and name HD2%)
 OR {  395}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 23   and name HB3 ))
 OR {  395}
   (  segid "    " and resid 48   and name HB% )
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  396}
   (  segid "    " and resid 48   and name HB% )
   (  segid "    " and resid 47   and name HD2%)
      2.200     0.600     0.600 peak   396 spectrum    1 weight  0.10000E+01 volume  0.17451E-01 ppm1      1.419 ppm2      0.726 CV     1
 OR {  396}
   (  segid "    " and resid 48   and name HB% )
   (  segid "    " and resid 47   and name HD1%)
 OR {  396}
   (  segid "    " and resid 48   and name HB% )
   (  segid "    " and resid 54   and name HD1%)
 OR {  396}
   (  segid "    " and resid 48   and name HB% )
   (  segid "    " and resid 44   and name HG2%)
 OR {  396}
   (  segid "    " and resid 48   and name HB% )
   (  segid "    " and resid 40   and name HD2%)
 OR {  396}
   (  segid "    " and resid 48   and name HB% )
   (  segid "    " and resid 40   and name HD1%)
 OR {  396}
   (  segid "    " and resid 48   and name HB% )
   (  segid "    " and resid 29   and name HG1%)
 OR {  396}
   (  segid "    " and resid 48   and name HB% )
   (  segid "    " and resid 27   and name HD1%)
 OR {  396}
   (  segid "    " and resid 48   and name HB% )
   (  segid "    " and resid 26   and name HG2%)
 OR {  396}
   (  segid "    " and resid 48   and name HB% )
   (  segid "    " and resid 2    and name HD1%)
 OR {  396}
   (  segid "    " and resid 48   and name HB% )
   (  segid "    " and resid 18   and name HD2%)
 OR {  396}
   (  segid "    " and resid 48   and name HB% )
   (  segid "    " and resid 18   and name HD1%)
 OR {  396}
   (  segid "    " and resid 48   and name HB% )
   (  segid "    " and resid 22   and name HD1%)
 OR {  396}
   (  segid "    " and resid 48   and name HB% )
   (  segid "    " and resid 72   and name HD2%)
 OR {  396}
   (  segid "    " and resid 48   and name HB% )
   (  segid "    " and resid 72   and name HD1%)
 OR {  396}
   (  segid "    " and resid 48   and name HB% )
   (  segid "    " and resid 76   and name HD2%)
 OR {  396}
   (  segid "    " and resid 48   and name HB% )
   (  segid "    " and resid 76   and name HD1%)
 OR {  396}
   (  segid "    " and resid 48   and name HB% )
   (  segid "    " and resid 79   and name HD1%)
 OR {  396}
   (  segid "    " and resid 48   and name HB% )
   (  segid "    " and resid 79   and name HD2%)
 OR {  396}
   (  segid "    " and resid 48   and name HB% )
   (  segid "    " and resid 84   and name HD2%)
 ASSI {  397}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 56   and name HG3 ))
      2.700     0.900     0.900 peak   397 spectrum    1 weight  0.10000E+01 volume  0.29427E-02 ppm1      1.419 ppm2      1.737 CV     1
 OR {  397}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 47   and name HB2 ))
 OR {  397}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 41   and name HB2 ))
 OR {  397}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 41   and name HB3 ))
 OR {  397}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 29   and name HB  ))
 OR {  397}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 32   and name HB3 ))
 OR {  397}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 16   and name HB2 ))
 OR {  397}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 17   and name HB3 ))
 OR {  397}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 18   and name HG  ))
 OR {  397}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 25   and name HD3 ))
 OR {  397}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 24   and name HB3 ))
 OR {  397}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 68   and name HB3 ))
 OR {  397}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 24   and name HG2 ))
 OR {  397}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 24   and name HG3 ))
 OR {  397}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 68   and name HG3 ))
 OR {  397}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 21   and name HB3 ))
 OR {  397}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 21   and name HB2 ))
 OR {  397}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 70   and name HB2 ))
 OR {  397}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 70   and name HB3 ))
 OR {  397}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 71   and name HB2 ))
 OR {  397}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 71   and name HB3 ))
 OR {  397}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 77   and name HB2 ))
 OR {  397}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 78   and name HB3 ))
 OR {  397}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 78   and name HB2 ))
 OR {  397}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 85   and name HB3 ))
 OR {  397}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 85   and name HB2 ))
 OR {  397}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 86   and name HB2 ))
 OR {  397}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 86   and name HB3 ))
 ASSI {  398}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 47   and name HA  ))
      3.900     1.900     1.900 peak   398 spectrum    1 weight  0.10000E+01 volume  0.15103E-02 ppm1      1.418 ppm2      4.845 CV     1
 OR {  398}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 54   and name HA  ))
 OR {  398}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 46   and name HA  ))
 OR {  398}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 30   and name HA  ))
 ASSI {  399}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 50   and name H   ))
      3.500     1.600     1.600 peak   399 spectrum    1 weight  0.10000E+01 volume  0.21932E-02 ppm1      1.418 ppm2      7.237 CV     1
 OR {  399}
   (  segid "    " and resid 48   and name HB% )
   (  segid "    " and resid 43   and name HE% )
 OR {  399}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 64   and name HZ2 ))
 OR {  399}
   (  segid "    " and resid 48   and name HB% )
   (  segid "    " and resid 1    and name HE% )
 OR {  399}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 26   and name H   ))
 OR {  399}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 1    and name HZ  ))
 OR {  399}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 22   and name H   ))
 OR {  399}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 70   and name HE  ))
 OR {  399}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 85   and name HE  ))
 ASSI {  400}
   (( segid "    " and resid 47   and name HG  ))
   (  segid "    " and resid 54   and name HD1%)
      3.100     1.200     1.200 peak   400 spectrum    1 weight  0.10000E+01 volume  0.36259E-02 ppm1      1.526 ppm2      0.849 CV     1
 OR {  400}
   (( segid "    " and resid 47   and name HG  ))
   (( segid "    " and resid 52   and name HG13))
 OR {  400}
   (( segid "    " and resid 47   and name HG  ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  400}
   (( segid "    " and resid 47   and name HG  ))
   (  segid "    " and resid 13   and name HD1%)
 OR {  400}
   (( segid "    " and resid 47   and name HG  ))
   (  segid "    " and resid 27   and name HG2%)
 OR {  400}
   (( segid "    " and resid 47   and name HG  ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  400}
   (( segid "    " and resid 47   and name HG  ))
   (  segid "    " and resid 3    and name HD1%)
 OR {  400}
   (( segid "    " and resid 47   and name HG  ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  400}
   (( segid "    " and resid 47   and name HG  ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  400}
   (( segid "    " and resid 47   and name HG  ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {  400}
   (( segid "    " and resid 47   and name HG  ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  400}
   (( segid "    " and resid 47   and name HG  ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  400}
   (( segid "    " and resid 47   and name HG  ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  400}
   (( segid "    " and resid 47   and name HG  ))
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  401}
   (( segid "    " and resid 47   and name HG  ))
   (( segid "    " and resid 56   and name HB2 ))
      4.100     2.100     1.900 peak   401 spectrum    1 weight  0.10000E+01 volume  0.13715E-02 ppm1      1.525 ppm2      2.041 CV     1
 OR {  401}
   (( segid "    " and resid 47   and name HG  ))
   (( segid "    " and resid 59   and name HG3 ))
 OR {  401}
   (( segid "    " and resid 47   and name HG  ))
   (( segid "    " and resid 59   and name HG2 ))
 OR {  401}
   (( segid "    " and resid 47   and name HG  ))
   (( segid "    " and resid 12   and name HB3 ))
 OR {  401}
   (( segid "    " and resid 47   and name HG  ))
   (( segid "    " and resid 59   and name HB2 ))
 OR {  401}
   (( segid "    " and resid 47   and name HG  ))
   (( segid "    " and resid 33   and name HG3 ))
 OR {  401}
   (( segid "    " and resid 47   and name HG  ))
   (( segid "    " and resid 33   and name HB2 ))
 OR {  401}
   (( segid "    " and resid 47   and name HG  ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {  401}
   (( segid "    " and resid 47   and name HG  ))
   (( segid "    " and resid 28   and name HB2 ))
 OR {  401}
   (( segid "    " and resid 47   and name HG  ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {  401}
   (( segid "    " and resid 47   and name HG  ))
   (( segid "    " and resid 17   and name HG3 ))
 OR {  401}
   (( segid "    " and resid 47   and name HG  ))
   (( segid "    " and resid 25   and name HB3 ))
 OR {  401}
   (( segid "    " and resid 47   and name HG  ))
   (( segid "    " and resid 66   and name HB3 ))
 OR {  401}
   (( segid "    " and resid 47   and name HG  ))
   (( segid "    " and resid 69   and name HB3 ))
 OR {  401}
   (( segid "    " and resid 47   and name HG  ))
   (  segid "    " and resid 83   and name HE% )
 OR {  401}
   (( segid "    " and resid 47   and name HG  ))
   (( segid "    " and resid 83   and name HB3 ))
 OR {  401}
   (( segid "    " and resid 47   and name HG  ))
   (  segid "    " and resid 87   and name HE% )
 OR {  401}
   (( segid "    " and resid 47   and name HG  ))
   (( segid "    " and resid 87   and name HB2 ))
 ASSI {  402}
   (( segid "    " and resid 16   and name HD3 ))
   (  segid "    " and resid 14   and name HE% )
      4.400     2.400     1.600 peak   402 spectrum    1 weight  0.10000E+01 volume  0.99945E-03 ppm1      1.525 ppm2      6.679 CV     1
 OR {  402}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 28   and name HE22))
 OR {  402}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 64   and name HZ3 ))
 OR {  402}
   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 64   and name HZ3 ))
 OR {  402}
   (( segid "    " and resid 47   and name HG  ))
   (  segid "    " and resid 14   and name HE% )
 OR {  402}
   (( segid "    " and resid 47   and name HG  ))
   (( segid "    " and resid 28   and name HE22))
 OR {  402}
   (( segid "    " and resid 47   and name HG  ))
   (( segid "    " and resid 64   and name HZ3 ))
 OR {  402}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 64   and name HZ3 ))
 OR {  402}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 14   and name HE% )
 OR {  402}
   (( segid "    " and resid 71   and name HD3 ))
   (  segid "    " and resid 14   and name HE% )
 OR {  402}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 28   and name HE22))
 OR {  402}
   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 28   and name HE22))
 ASSI {  403}
   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 70   and name HE  ))
      3.900     1.900     1.900 peak   403 spectrum    1 weight  0.10000E+01 volume  0.14325E-02 ppm1      1.529 ppm2      7.218 CV     1
 OR {  403}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 70   and name HE  ))
 OR {  403}
   (( segid "    " and resid 47   and name HG  ))
   (( segid "    " and resid 50   and name H   ))
 OR {  403}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 26   and name H   ))
 OR {  403}
   (( segid "    " and resid 16   and name HD3 ))
   (  segid "    " and resid 1    and name HD% )
 OR {  403}
   (( segid "    " and resid 16   and name HD3 ))
   (  segid "    " and resid 1    and name HE% )
 OR {  403}
   (( segid "    " and resid 47   and name HG  ))
   (  segid "    " and resid 43   and name HE% )
 OR {  403}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 1    and name HZ  ))
 OR {  403}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 22   and name H   ))
 OR {  403}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 65   and name HD% )
 OR {  403}
   (( segid "    " and resid 71   and name HD3 ))
   (  segid "    " and resid 65   and name HD% )
 OR {  403}
   (( segid "    " and resid 16   and name HD3 ))
   (  segid "    " and resid 43   and name HE% )
 OR {  403}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 64   and name HZ2 ))
 OR {  403}
   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 64   and name HZ2 ))
 OR {  403}
   (( segid "    " and resid 71   and name HD3 ))
   (  segid "    " and resid 81   and name HE% )
 OR {  403}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 81   and name HE% )
 OR {  403}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 50   and name H   ))
 OR {  403}
   (( segid "    " and resid 47   and name HG  ))
   (  segid "    " and resid 65   and name HD% )
 OR {  403}
   (( segid "    " and resid 47   and name HG  ))
   (  segid "    " and resid 1    and name HD% )
 OR {  403}
   (( segid "    " and resid 47   and name HG  ))
   (  segid "    " and resid 1    and name HE% )
 OR {  403}
   (( segid "    " and resid 47   and name HG  ))
   (( segid "    " and resid 26   and name H   ))
 OR {  403}
   (( segid "    " and resid 47   and name HG  ))
   (( segid "    " and resid 64   and name HZ2 ))
 OR {  403}
   (( segid "    " and resid 47   and name HG  ))
   (( segid "    " and resid 1    and name HZ  ))
 OR {  403}
   (( segid "    " and resid 47   and name HG  ))
   (( segid "    " and resid 22   and name H   ))
 OR {  403}
   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 85   and name HE  ))
 OR {  403}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 85   and name HE  ))
 OR {  403}
   (( segid "    " and resid 47   and name HG  ))
   (( segid "    " and resid 70   and name HE  ))
 OR {  403}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 50   and name H   ))
 OR {  403}
   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 50   and name H   ))
 OR {  403}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 43   and name HE% )
 OR {  403}
   (( segid "    " and resid 71   and name HD3 ))
   (  segid "    " and resid 43   and name HE% )
 OR {  403}
   (( segid "    " and resid 16   and name HD3 ))
   (  segid "    " and resid 65   and name HD% )
 OR {  403}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 64   and name HZ2 ))
 OR {  403}
   (( segid "    " and resid 47   and name HG  ))
   (  segid "    " and resid 81   and name HE% )
 OR {  403}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 1    and name HD% )
 OR {  403}
   (( segid "    " and resid 71   and name HD3 ))
   (  segid "    " and resid 1    and name HD% )
 OR {  403}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 70   and name HE  ))
 OR {  403}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 1    and name HE% )
 OR {  403}
   (( segid "    " and resid 71   and name HD3 ))
   (  segid "    " and resid 1    and name HE% )
 OR {  403}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 26   and name H   ))
 OR {  403}
   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 26   and name H   ))
 OR {  403}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 1    and name HZ  ))
 OR {  403}
   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 1    and name HZ  ))
 OR {  403}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 22   and name H   ))
 OR {  403}
   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 22   and name H   ))
 OR {  403}
   (( segid "    " and resid 47   and name HG  ))
   (( segid "    " and resid 85   and name HE  ))
 OR {  403}
   (( segid "    " and resid 16   and name HD3 ))
   (  segid "    " and resid 81   and name HE% )
 OR {  403}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 85   and name HE  ))
 ASSI {  404}
   (( segid "    " and resid 47   and name HG  ))
   (( segid "    " and resid 48   and name H   ))
      2.300     0.700     0.700 peak   404 spectrum    1 weight  0.10000E+01 volume  0.20932E-02 ppm1      1.531 ppm2      8.763 CV     1
 OR {  404}
   (( segid "    " and resid 47   and name HG  ))
   (( segid "    " and resid 47   and name H   ))
 OR {  404}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 29   and name H   ))
 OR {  404}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 29   and name H   ))
 OR {  404}
   (( segid "    " and resid 47   and name HG  ))
   (( segid "    " and resid 52   and name H   ))
 OR {  404}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 34   and name H   ))
 OR {  404}
   (( segid "    " and resid 47   and name HG  ))
   (( segid "    " and resid 42   and name H   ))
 OR {  404}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 34   and name H   ))
 OR {  404}
   (( segid "    " and resid 47   and name HG  ))
   (( segid "    " and resid 60   and name H   ))
 OR {  404}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 42   and name H   ))
 OR {  404}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 42   and name H   ))
 OR {  404}
   (( segid "    " and resid 47   and name HG  ))
   (( segid "    " and resid 34   and name H   ))
 OR {  404}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 52   and name H   ))
 OR {  404}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 52   and name H   ))
 OR {  404}
   (( segid "    " and resid 47   and name HG  ))
   (( segid "    " and resid 29   and name H   ))
 OR {  404}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 48   and name H   ))
 OR {  404}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 47   and name H   ))
 OR {  404}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 48   and name H   ))
 OR {  404}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 47   and name H   ))
 OR {  404}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 60   and name H   ))
 OR {  404}
   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 60   and name H   ))
 OR {  404}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 60   and name H   ))
 OR {  404}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 60   and name H   ))
 OR {  404}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 48   and name H   ))
 OR {  404}
   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 48   and name H   ))
 OR {  404}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 47   and name H   ))
 OR {  404}
   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 47   and name H   ))
 OR {  404}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 52   and name H   ))
 OR {  404}
   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 52   and name H   ))
 OR {  404}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 42   and name H   ))
 OR {  404}
   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 42   and name H   ))
 OR {  404}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 34   and name H   ))
 OR {  404}
   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 34   and name H   ))
 OR {  404}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 29   and name H   ))
 OR {  404}
   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 29   and name H   ))
 ASSI {  405}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 27   and name H   ))
      3.900     1.900     1.900 peak   405 spectrum    1 weight  0.10000E+01 volume  0.10217E-02 ppm1      1.528 ppm2      9.074 CV     1
 OR {  405}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 30   and name H   ))
 OR {  405}
   (( segid "    " and resid 47   and name HG  ))
   (( segid "    " and resid 45   and name H   ))
 OR {  405}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 45   and name H   ))
 OR {  405}
   (( segid "    " and resid 47   and name HG  ))
   (( segid "    " and resid 30   and name H   ))
 OR {  405}
   (( segid "    " and resid 47   and name HG  ))
   (( segid "    " and resid 27   and name H   ))
 OR {  405}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 45   and name H   ))
 OR {  405}
   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 45   and name H   ))
 OR {  405}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 30   and name H   ))
 OR {  405}
   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 30   and name H   ))
 OR {  405}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 27   and name H   ))
 OR {  405}
   (( segid "    " and resid 71   and name HD3 ))
   (( segid "    " and resid 27   and name H   ))
 ASSI {  406}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 56   and name HB2 ))
      2.800     1.000     1.000 peak   406 spectrum    1 weight  0.10000E+01 volume  0.81344E-02 ppm1      0.711 ppm2      2.025 CV     1
 OR {  406}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 17   and name HG3 ))
 OR {  406}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 25   and name HB3 ))
 OR {  406}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 25   and name HB2 ))
 OR {  406}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 4    and name HG2 ))
 OR {  406}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 56   and name HB2 ))
 OR {  406}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 28   and name HB2 ))
 OR {  406}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 57   and name HB3 ))
 OR {  406}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 57   and name HB3 ))
 OR {  406}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 30   and name HB2 ))
 OR {  406}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 59   and name HG3 ))
 OR {  406}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 59   and name HG2 ))
 OR {  406}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 59   and name HG3 ))
 OR {  406}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 59   and name HB2 ))
 OR {  406}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 12   and name HB3 ))
 OR {  406}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 59   and name HG2 ))
 OR {  406}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 33   and name HB2 ))
 OR {  406}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 59   and name HB2 ))
 OR {  406}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 12   and name HB3 ))
 OR {  406}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 33   and name HG3 ))
 OR {  406}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 12   and name HB3 ))
 OR {  406}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 33   and name HG3 ))
 OR {  406}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 33   and name HB2 ))
 OR {  406}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 33   and name HG3 ))
 OR {  406}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 33   and name HB2 ))
 OR {  406}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 63   and name HB2 ))
 OR {  406}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 30   and name HB2 ))
 OR {  406}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 63   and name HB3 ))
 OR {  406}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 30   and name HB2 ))
 OR {  406}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 63   and name HB2 ))
 OR {  406}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 63   and name HB3 ))
 OR {  406}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 28   and name HB2 ))
 OR {  406}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 4    and name HG2 ))
 OR {  406}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 28   and name HB2 ))
 OR {  406}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 4    and name HG2 ))
 OR {  406}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 17   and name HG3 ))
 OR {  406}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 17   and name HG3 ))
 OR {  406}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 25   and name HB3 ))
 OR {  406}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 25   and name HB2 ))
 OR {  406}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 25   and name HB3 ))
 OR {  406}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 66   and name HB3 ))
 OR {  406}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 25   and name HB2 ))
 OR {  406}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 66   and name HB3 ))
 OR {  406}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 56   and name HB2 ))
 OR {  406}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 57   and name HB3 ))
 OR {  406}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 69   and name HB3 ))
 OR {  406}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 69   and name HB3 ))
 OR {  406}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 59   and name HG3 ))
 OR {  406}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 59   and name HG2 ))
 OR {  406}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 59   and name HB2 ))
 OR {  406}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 63   and name HB2 ))
 OR {  406}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 63   and name HB3 ))
 OR {  406}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 66   and name HB3 ))
 OR {  406}
   (  segid "    " and resid 47   and name HD2%)
   (  segid "    " and resid 83   and name HE% )
 OR {  406}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 69   and name HB3 ))
 OR {  406}
   (  segid "    " and resid 47   and name HD1%)
   (  segid "    " and resid 83   and name HE% )
 OR {  406}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 83   and name HB3 ))
 OR {  406}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 83   and name HB3 ))
 OR {  406}
   (  segid "    " and resid 47   and name HD2%)
   (  segid "    " and resid 87   and name HE% )
 OR {  406}
   (  segid "    " and resid 47   and name HD1%)
   (  segid "    " and resid 87   and name HE% )
 OR {  406}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 87   and name HB2 ))
 OR {  406}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 87   and name HB2 ))
 OR {  406}
   (  segid "    " and resid 18   and name HD1%)
   (  segid "    " and resid 83   and name HE% )
 OR {  406}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 83   and name HB3 ))
 OR {  406}
   (  segid "    " and resid 18   and name HD1%)
   (  segid "    " and resid 87   and name HE% )
 OR {  406}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 87   and name HB2 ))
 ASSI {  407}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 47   and name HB3 ))
      2.200     0.600     0.600 peak   407 spectrum    1 weight  0.10000E+01 volume  0.11943E-01 ppm1      0.710 ppm2      1.921 CV     1
 OR {  407}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 47   and name HB3 ))
 OR {  407}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 49   and name HB3 ))
 OR {  407}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 49   and name HB3 ))
 OR {  407}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 44   and name HB  ))
 OR {  407}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 44   and name HB  ))
 OR {  407}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 57   and name HB3 ))
 OR {  407}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 50   and name HB3 ))
 OR {  407}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 41   and name HG3 ))
 OR {  407}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 50   and name HB3 ))
 OR {  407}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 57   and name HB3 ))
 OR {  407}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 41   and name HG3 ))
 OR {  407}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 59   and name HG2 ))
 OR {  407}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 59   and name HB2 ))
 OR {  407}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 12   and name HB3 ))
 OR {  407}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 59   and name HG2 ))
 OR {  407}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 12   and name HB2 ))
 OR {  407}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 59   and name HB2 ))
 OR {  407}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 12   and name HB2 ))
 OR {  407}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 12   and name HB3 ))
 OR {  407}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 13   and name HB3 ))
 OR {  407}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 13   and name HB3 ))
 OR {  407}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 5    and name HG2 ))
 OR {  407}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 5    and name HG3 ))
 OR {  407}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 5    and name HG2 ))
 OR {  407}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 32   and name HB2 ))
 OR {  407}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 63   and name HB2 ))
 OR {  407}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 30   and name HB2 ))
 OR {  407}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 5    and name HG3 ))
 OR {  407}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 32   and name HB2 ))
 OR {  407}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 30   and name HB2 ))
 OR {  407}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 63   and name HB2 ))
 OR {  407}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 4    and name HG3 ))
 OR {  407}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 4    and name HG3 ))
 OR {  407}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 17   and name HG2 ))
 OR {  407}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 17   and name HG2 ))
 OR {  407}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 25   and name HB2 ))
 OR {  407}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 66   and name HB2 ))
 OR {  407}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 66   and name HB3 ))
 OR {  407}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 24   and name HB2 ))
 OR {  407}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 25   and name HB2 ))
 OR {  407}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 66   and name HB2 ))
 OR {  407}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 66   and name HB3 ))
 OR {  407}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 24   and name HB2 ))
 OR {  407}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 68   and name HG2 ))
 OR {  407}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 68   and name HB2 ))
 OR {  407}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 68   and name HG2 ))
 OR {  407}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 68   and name HB2 ))
 OR {  407}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 69   and name HB3 ))
 OR {  407}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 69   and name HB2 ))
 OR {  407}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 69   and name HB3 ))
 OR {  407}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 69   and name HB2 ))
 OR {  407}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 77   and name HG2 ))
 OR {  407}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 77   and name HG3 ))
 OR {  407}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 77   and name HG2 ))
 OR {  407}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 77   and name HG3 ))
 OR {  407}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 83   and name HB2 ))
 OR {  407}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 83   and name HB2 ))
 OR {  407}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 87   and name HB3 ))
 OR {  407}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 87   and name HB3 ))
 ASSI {  408}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 9    and name HB3 ))
      2.000     0.500     0.500 peak   408 spectrum    1 weight  0.10000E+01 volume  0.22877E-02 ppm1      0.713 ppm2      2.935 CV     1
 OR {  408}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 9    and name HB3 ))
 OR {  408}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 38   and name HB2 ))
 OR {  408}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 38   and name HB2 ))
 OR {  408}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 16   and name HE3 ))
 OR {  408}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 16   and name HE2 ))
 OR {  408}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 16   and name HE3 ))
 OR {  408}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 16   and name HE2 ))
 OR {  408}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 25   and name HE2 ))
 OR {  408}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 25   and name HE3 ))
 OR {  408}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 25   and name HE2 ))
 OR {  408}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 25   and name HE3 ))
 OR {  408}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 21   and name HE3 ))
 OR {  408}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 21   and name HE2 ))
 OR {  408}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 21   and name HE3 ))
 OR {  408}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 21   and name HE2 ))
 OR {  408}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 71   and name HE2 ))
 OR {  408}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 71   and name HE3 ))
 OR {  408}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 71   and name HE2 ))
 OR {  408}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 71   and name HE3 ))
 OR {  408}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 78   and name HE3 ))
 OR {  408}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 78   and name HE2 ))
 OR {  408}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 78   and name HE3 ))
 OR {  408}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 78   and name HE2 ))
 OR {  408}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 81   and name HB3 ))
 OR {  408}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 81   and name HB3 ))
 OR {  408}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 86   and name HE2 ))
 OR {  408}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 86   and name HE3 ))
 OR {  408}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 86   and name HE2 ))
 OR {  408}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 86   and name HE3 ))
 ASSI {  409}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 56   and name HD2 ))
      2.700     0.900     0.900 peak   409 spectrum    1 weight  0.10000E+01 volume  0.84010E-02 ppm1      0.705 ppm2      3.656 CV     1
 OR {  409}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 53   and name HB3 ))
 OR {  409}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 56   and name HD2 ))
 OR {  409}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 53   and name HB3 ))
 OR {  409}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 59   and name HD2 ))
 OR {  409}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 59   and name HD2 ))
 OR {  409}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 60   and name HB2 ))
 OR {  409}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 60   and name HB2 ))
 OR {  409}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 5    and name HD2 ))
 OR {  409}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 5    and name HD2 ))
 OR {  409}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 17   and name HD3 ))
 OR {  409}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 17   and name HD3 ))
 OR {  409}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 26   and name HA  ))
 OR {  409}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 26   and name HA  ))
 OR {  409}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 23   and name HA  ))
 OR {  409}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 23   and name HA  ))
 OR {  409}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 88   and name HA2 ))
 OR {  409}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 88   and name HA3 ))
 OR {  409}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 88   and name HA2 ))
 OR {  409}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 88   and name HA3 ))
 ASSI {  410}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 48   and name HA  ))
      3.300     1.400     1.400 peak   410 spectrum    1 weight  0.10000E+01 volume  0.42699E-02 ppm1      0.708 ppm2      3.984 CV     1
 OR {  410}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 48   and name HA  ))
 OR {  410}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 59   and name HD3 ))
 OR {  410}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 59   and name HD3 ))
 OR {  410}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 36   and name HA3 ))
 OR {  410}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 61   and name HA  ))
 OR {  410}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 36   and name HA3 ))
 OR {  410}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 61   and name HA  ))
 OR {  410}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 62   and name HB2 ))
 OR {  410}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 62   and name HB3 ))
 OR {  410}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 62   and name HB2 ))
 OR {  410}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 62   and name HB3 ))
 OR {  410}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 66   and name HA  ))
 OR {  410}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 66   and name HA  ))
 OR {  410}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 22   and name HA  ))
 OR {  410}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 68   and name HA  ))
 OR {  410}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 22   and name HA  ))
 OR {  410}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 68   and name HA  ))
 OR {  410}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 69   and name HA  ))
 OR {  410}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 69   and name HA  ))
 OR {  410}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 74   and name HA3 ))
 OR {  410}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 74   and name HA2 ))
 OR {  410}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 74   and name HA3 ))
 OR {  410}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 74   and name HA2 ))
 ASSI {  411}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 56   and name HA  ))
      3.200     1.300     1.300 peak   411 spectrum    1 weight  0.10000E+01 volume  0.38201E-02 ppm1      0.708 ppm2      4.344 CV     1
 OR {  411}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 55   and name HA  ))
 OR {  411}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 55   and name HA  ))
 OR {  411}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 56   and name HA  ))
 OR {  411}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 42   and name HA  ))
 OR {  411}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 42   and name HA  ))
 OR {  411}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 11   and name HA  ))
 OR {  411}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 8    and name HA  ))
 OR {  411}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 11   and name HA  ))
 OR {  411}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 60   and name HA  ))
 OR {  411}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 8    and name HA  ))
 OR {  411}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 60   and name HA  ))
 OR {  411}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 13   and name HA  ))
 OR {  411}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 6    and name HA  ))
 OR {  411}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 13   and name HA  ))
 OR {  411}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 33   and name HA  ))
 OR {  411}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 6    and name HA  ))
 OR {  411}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 33   and name HA  ))
 OR {  411}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 5    and name HA  ))
 OR {  411}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 15   and name HA  ))
 OR {  411}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 5    and name HA  ))
 OR {  411}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 15   and name HA  ))
 OR {  411}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 16   and name HA  ))
 OR {  411}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 64   and name HA  ))
 OR {  411}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 16   and name HA  ))
 OR {  411}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 2    and name HA  ))
 OR {  411}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 64   and name HA  ))
 OR {  411}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 2    and name HA  ))
 OR {  411}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 25   and name HA  ))
 OR {  411}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 19   and name HA  ))
 OR {  411}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 25   and name HA  ))
 OR {  411}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 19   and name HA  ))
 OR {  411}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 75   and name HA  ))
 OR {  411}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
 OR {  411}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 77   and name HA  ))
 OR {  411}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 77   and name HA  ))
 OR {  411}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 83   and name HA  ))
 OR {  411}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 83   and name HA  ))
 ASSI {  412}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 45   and name H   ))
      2.100     0.500     0.500 peak   412 spectrum    1 weight  0.10000E+01 volume  0.22211E-02 ppm1      0.714 ppm2      9.067 CV     1
 OR {  412}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 45   and name H   ))
 OR {  412}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 30   and name H   ))
 OR {  412}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 30   and name H   ))
 OR {  412}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 27   and name H   ))
 OR {  412}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 27   and name H   ))
 ASSI {  413}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name H   ))
      2.900     1.100     1.100 peak   413 spectrum    1 weight  0.10000E+01 volume  0.20710E-02 ppm1      4.560 ppm2      9.057 CV     1
 OR {  413}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 30   and name H   ))
 OR {  413}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 27   and name H   ))
 ASSI {  414}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 47   and name HD1%)
      3.600     1.600     1.600 peak   414 spectrum    1 weight  0.10000E+01 volume  0.38311E-02 ppm1      1.289 ppm2      0.695 CV     1
 OR {  414}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 52   and name HG2%)
 OR {  414}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  414}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  414}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  414}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 31   and name HD1%)
 OR {  414}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  414}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 26   and name HG2%)
 OR {  414}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  414}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  414}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  414}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 22   and name HD2%)
 OR {  414}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  414}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 79   and name HD1%)
 OR {  414}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 79   and name HD2%)
 ASSI {  415}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 44   and name HG2%)
      3.500     1.600     1.600 peak   415 spectrum    1 weight  0.10000E+01 volume  0.26263E-02 ppm1      1.285 ppm2      0.841 CV     1
 OR {  415}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 52   and name HG13))
 OR {  415}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  415}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  415}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 13   and name HD1%)
 OR {  415}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 27   and name HG2%)
 OR {  415}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  415}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  415}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 3    and name HD1%)
 OR {  415}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  415}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  415}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {  415}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  415}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  415}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  415}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  416}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 45   and name HA  ))
      3.000     1.100     1.100 peak   416 spectrum    1 weight  0.10000E+01 volume  0.14603E-02 ppm1      1.618 ppm2      4.529 CV     1
 OR {  416}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 44   and name HA  ))
 OR {  416}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 52   and name HA  ))
 OR {  416}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 10   and name HA  ))
 OR {  416}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 9    and name HA  ))
 OR {  416}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 12   and name HA  ))
 OR {  416}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 57   and name HA  ))
 OR {  416}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 14   and name HA  ))
 OR {  416}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 32   and name HA  ))
 OR {  416}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 31   and name HA  ))
 OR {  416}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 4    and name HA  ))
 OR {  416}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 3    and name HA  ))
 OR {  416}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 17   and name HA  ))
 OR {  416}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 73   and name HA  ))
 OR {  416}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 76   and name HA  ))
 OR {  416}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 87   and name HA  ))
 ASSI {  417}
   (( segid "    " and resid 3    and name HG  ))
   (  segid "    " and resid 3    and name HD2%)
      1.900     0.400     0.400 peak   417 spectrum    1 weight  0.10000E+01 volume  0.29978E-01 ppm1      1.585 ppm2      0.817 CV     1
 OR {  417}
   (( segid "    " and resid 3    and name HG  ))
   (  segid "    " and resid 3    and name HD1%)
 OR {  417}
   (( segid "    " and resid 76   and name HG  ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  417}
   (( segid "    " and resid 76   and name HG  ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  417}
   (( segid "    " and resid 3    and name HG  ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  417}
   (( segid "    " and resid 3    and name HG  ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  417}
   (( segid "    " and resid 3    and name HG  ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  417}
   (( segid "    " and resid 70   and name HG2 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  417}
   (( segid "    " and resid 3    and name HG  ))
   (  segid "    " and resid 27   and name HG2%)
 OR {  417}
   (( segid "    " and resid 76   and name HG  ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  417}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {  417}
   (( segid "    " and resid 3    and name HG  ))
   (  segid "    " and resid 13   and name HD1%)
 OR {  417}
   (( segid "    " and resid 3    and name HG  ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  417}
   (( segid "    " and resid 70   and name HG2 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  417}
   (( segid "    " and resid 70   and name HG2 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  417}
   (( segid "    " and resid 76   and name HG  ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  417}
   (( segid "    " and resid 3    and name HG  ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  417}
   (( segid "    " and resid 76   and name HG  ))
   (  segid "    " and resid 84   and name HD1%)
 OR {  417}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 52   and name HG13))
 OR {  417}
   (( segid "    " and resid 3    and name HG  ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  417}
   (( segid "    " and resid 70   and name HG2 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  417}
   (( segid "    " and resid 70   and name HG2 ))
   (  segid "    " and resid 84   and name HD1%)
 OR {  417}
   (( segid "    " and resid 70   and name HG2 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  417}
   (( segid "    " and resid 70   and name HG2 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  417}
   (( segid "    " and resid 70   and name HG2 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  417}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 52   and name HG13))
 OR {  417}
   (( segid "    " and resid 76   and name HG  ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  417}
   (( segid "    " and resid 70   and name HG2 ))
   (  segid "    " and resid 13   and name HD1%)
 OR {  417}
   (( segid "    " and resid 76   and name HG  ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  417}
   (( segid "    " and resid 70   and name HG2 ))
   (  segid "    " and resid 27   and name HG2%)
 OR {  417}
   (( segid "    " and resid 70   and name HG2 ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  417}
   (( segid "    " and resid 70   and name HG2 ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  417}
   (( segid "    " and resid 70   and name HG2 ))
   (  segid "    " and resid 3    and name HD1%)
 OR {  417}
   (( segid "    " and resid 76   and name HG  ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  417}
   (( segid "    " and resid 70   and name HG2 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  417}
   (( segid "    " and resid 70   and name HG2 ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  417}
   (( segid "    " and resid 76   and name HG  ))
   (( segid "    " and resid 52   and name HG13))
 OR {  417}
   (( segid "    " and resid 3    and name HG  ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  417}
   (( segid "    " and resid 76   and name HG  ))
   (  segid "    " and resid 13   and name HD1%)
 OR {  417}
   (( segid "    " and resid 76   and name HG  ))
   (  segid "    " and resid 27   and name HG2%)
 OR {  417}
   (( segid "    " and resid 76   and name HG  ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  417}
   (( segid "    " and resid 3    and name HG  ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  417}
   (( segid "    " and resid 76   and name HG  ))
   (  segid "    " and resid 3    and name HD1%)
 OR {  417}
   (( segid "    " and resid 76   and name HG  ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  417}
   (( segid "    " and resid 3    and name HG  ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  417}
   (( segid "    " and resid 76   and name HG  ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  417}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {  417}
   (( segid "    " and resid 76   and name HG  ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  417}
   (( segid "    " and resid 76   and name HG  ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {  417}
   (( segid "    " and resid 3    and name HG  ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  417}
   (( segid "    " and resid 3    and name HG  ))
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  418}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 49   and name HB2 ))
      4.000     2.000     2.000 peak   418 spectrum    1 weight  0.10000E+01 volume  0.12771E-02 ppm1      1.594 ppm2      2.197 CV     1
 OR {  418}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 54   and name HB  ))
 OR {  418}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 12   and name HG2 ))
 OR {  418}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 12   and name HG3 ))
 OR {  418}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 33   and name HG2 ))
 OR {  418}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 32   and name HG3 ))
 OR {  418}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 5    and name HB2 ))
 OR {  418}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 30   and name HG2 ))
 OR {  418}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 28   and name HG3 ))
 OR {  418}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 17   and name HB2 ))
 OR {  418}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 26   and name HB  ))
 OR {  418}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 63   and name HG3 ))
 OR {  418}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 63   and name HG2 ))
 OR {  418}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 69   and name HG2 ))
 OR {  418}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 69   and name HG3 ))
 OR {  418}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 77   and name HB3 ))
 ASSI {  419}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 3    and name HA  ))
      2.500     0.800     0.800 peak   419 spectrum    1 weight  0.10000E+01 volume  0.70573E-02 ppm1      1.589 ppm2      4.534 CV     1
 OR {  419}
   (( segid "    " and resid 76   and name HG  ))
   (( segid "    " and resid 76   and name HA  ))
 OR {  419}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 17   and name HA  ))
 OR {  419}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 4    and name HA  ))
 OR {  419}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 73   and name HA  ))
 OR {  419}
   (( segid "    " and resid 76   and name HG  ))
   (( segid "    " and resid 73   and name HA  ))
 OR {  419}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 14   and name HA  ))
 OR {  419}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 31   and name HA  ))
 OR {  419}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 32   and name HA  ))
 OR {  419}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 12   and name HA  ))
 OR {  419}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 76   and name HA  ))
 OR {  419}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 9    and name HA  ))
 OR {  419}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 10   and name HA  ))
 OR {  419}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 44   and name HA  ))
 OR {  419}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 52   and name HA  ))
 OR {  419}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 45   and name HA  ))
 OR {  419}
   (( segid "    " and resid 76   and name HG  ))
   (( segid "    " and resid 87   and name HA  ))
 OR {  419}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 57   and name HA  ))
 OR {  419}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 57   and name HA  ))
 OR {  419}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 87   and name HA  ))
 OR {  419}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 45   and name HA  ))
 OR {  419}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 52   and name HA  ))
 OR {  419}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 44   and name HA  ))
 OR {  419}
   (( segid "    " and resid 76   and name HG  ))
   (( segid "    " and resid 57   and name HA  ))
 OR {  419}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 10   and name HA  ))
 OR {  419}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 9    and name HA  ))
 OR {  419}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 12   and name HA  ))
 OR {  419}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 14   and name HA  ))
 OR {  419}
   (( segid "    " and resid 76   and name HG  ))
   (( segid "    " and resid 45   and name HA  ))
 OR {  419}
   (( segid "    " and resid 76   and name HG  ))
   (( segid "    " and resid 52   and name HA  ))
 OR {  419}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 32   and name HA  ))
 OR {  419}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 31   and name HA  ))
 OR {  419}
   (( segid "    " and resid 76   and name HG  ))
   (( segid "    " and resid 44   and name HA  ))
 OR {  419}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 4    and name HA  ))
 OR {  419}
   (( segid "    " and resid 76   and name HG  ))
   (( segid "    " and resid 10   and name HA  ))
 OR {  419}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 3    and name HA  ))
 OR {  419}
   (( segid "    " and resid 76   and name HG  ))
   (( segid "    " and resid 9    and name HA  ))
 OR {  419}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 17   and name HA  ))
 OR {  419}
   (( segid "    " and resid 76   and name HG  ))
   (( segid "    " and resid 12   and name HA  ))
 OR {  419}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 73   and name HA  ))
 OR {  419}
   (( segid "    " and resid 76   and name HG  ))
   (( segid "    " and resid 14   and name HA  ))
 OR {  419}
   (( segid "    " and resid 76   and name HG  ))
   (( segid "    " and resid 32   and name HA  ))
 OR {  419}
   (( segid "    " and resid 76   and name HG  ))
   (( segid "    " and resid 31   and name HA  ))
 OR {  419}
   (( segid "    " and resid 76   and name HG  ))
   (( segid "    " and resid 4    and name HA  ))
 OR {  419}
   (( segid "    " and resid 76   and name HG  ))
   (( segid "    " and resid 3    and name HA  ))
 OR {  419}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 76   and name HA  ))
 OR {  419}
   (( segid "    " and resid 76   and name HG  ))
   (( segid "    " and resid 17   and name HA  ))
 OR {  419}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 87   and name HA  ))
 ASSI {  420}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 3    and name H   ))
      2.600     0.800     0.800 peak   420 spectrum    1 weight  0.10000E+01 volume  0.91727E-02 ppm1      1.590 ppm2      8.261 CV     1
 OR {  420}
   (( segid "    " and resid 76   and name HG  ))
   (( segid "    " and resid 76   and name H   ))
 OR {  420}
   (( segid "    " and resid 76   and name HG  ))
   (( segid "    " and resid 78   and name H   ))
 OR {  420}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 73   and name H   ))
 OR {  420}
   (( segid "    " and resid 76   and name HG  ))
   (( segid "    " and resid 74   and name H   ))
 OR {  420}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 74   and name H   ))
 OR {  420}
   (( segid "    " and resid 76   and name HG  ))
   (( segid "    " and resid 73   and name H   ))
 OR {  420}
   (( segid "    " and resid 76   and name HG  ))
   (( segid "    " and resid 80   and name H   ))
 OR {  420}
   (( segid "    " and resid 76   and name HG  ))
   (( segid "    " and resid 81   and name H   ))
 OR {  420}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 8    and name H   ))
 OR {  420}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 76   and name H   ))
 OR {  420}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 9    and name H   ))
 OR {  420}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 78   and name H   ))
 OR {  420}
   (( segid "    " and resid 76   and name HG  ))
   (( segid "    " and resid 86   and name H   ))
 OR {  420}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 80   and name H   ))
 OR {  420}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 81   and name H   ))
 OR {  420}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 58   and name H   ))
 OR {  420}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 58   and name H   ))
 OR {  420}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 86   and name H   ))
 OR {  420}
   (( segid "    " and resid 76   and name HG  ))
   (( segid "    " and resid 58   and name H   ))
 OR {  420}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 9    and name H   ))
 OR {  420}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 8    and name H   ))
 OR {  420}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 3    and name H   ))
 OR {  420}
   (( segid "    " and resid 76   and name HG  ))
   (( segid "    " and resid 9    and name H   ))
 OR {  420}
   (( segid "    " and resid 76   and name HG  ))
   (( segid "    " and resid 8    and name H   ))
 OR {  420}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 73   and name H   ))
 OR {  420}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 74   and name H   ))
 OR {  420}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 76   and name H   ))
 OR {  420}
   (( segid "    " and resid 76   and name HG  ))
   (( segid "    " and resid 3    and name H   ))
 OR {  420}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 78   and name H   ))
 OR {  420}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 80   and name H   ))
 OR {  420}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 81   and name H   ))
 OR {  420}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 86   and name H   ))
 ASSI {  421}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 44   and name HG1%)
      1.700     0.400     0.500 peak   421 spectrum    1 weight  0.10000E+01 volume  0.61966E-02 ppm1      0.599 ppm2      0.367 CV     1
 OR {  421}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 31   and name HD2%)
 OR {  421}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 61   and name HD2%)
 ASSI {  422}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 52   and name HD1%)
      2.700     0.900     0.900 peak   422 spectrum    1 weight  0.10000E+01 volume  0.14631E-01 ppm1      0.598 ppm2      0.465 CV     1
 OR {  422}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 44   and name HG1%)
 OR {  422}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 29   and name HG2%)
 OR {  422}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 61   and name HD1%)
 OR {  422}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 23   and name HD1%)
 ASSI {  423}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 44   and name HG2%)
      2.500     0.800     0.800 peak   423 spectrum    1 weight  0.10000E+01 volume  0.15702E-01 ppm1      0.599 ppm2      0.818 CV     1
 OR {  423}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 52   and name HG13))
 OR {  423}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 54   and name HD1%)
 OR {  423}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 40   and name HD1%)
 OR {  423}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 13   and name HD1%)
 OR {  423}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 27   and name HG2%)
 OR {  423}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 3    and name HD2%)
 OR {  423}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 26   and name HG1%)
 OR {  423}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 3    and name HD1%)
 OR {  423}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 2    and name HD1%)
 OR {  423}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 2    and name HD2%)
 OR {  423}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 23   and name HB3 ))
 OR {  423}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 72   and name HD2%)
 OR {  423}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 76   and name HD2%)
 OR {  423}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 76   and name HD1%)
 OR {  423}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 84   and name HD2%)
 OR {  423}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  424}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 44   and name HG2%)
      1.900     0.400     0.400 peak   424 spectrum    1 weight  0.10000E+01 volume  0.25357E-01 ppm1      0.598 ppm2      0.730 CV     1
 OR {  424}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 47   and name HD1%)
 OR {  424}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 47   and name HD2%)
 OR {  424}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 54   and name HD1%)
 OR {  424}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 40   and name HD2%)
 OR {  424}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 40   and name HD1%)
 OR {  424}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 29   and name HG1%)
 OR {  424}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 27   and name HD1%)
 OR {  424}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 26   and name HG2%)
 OR {  424}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 2    and name HD1%)
 OR {  424}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 18   and name HD2%)
 OR {  424}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 18   and name HD1%)
 OR {  424}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 22   and name HD1%)
 OR {  424}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 72   and name HD2%)
 OR {  424}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 72   and name HD1%)
 OR {  424}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 76   and name HD2%)
 OR {  424}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 76   and name HD1%)
 OR {  424}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 79   and name HD1%)
 OR {  424}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 79   and name HD2%)
 OR {  424}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 84   and name HD2%)
 ASSI {  425}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HB2 ))
      2.100     0.500     0.500 peak   425 spectrum    1 weight  0.10000E+01 volume  0.11066E-01 ppm1      0.599 ppm2      1.261 CV     1
 OR {  425}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 52   and name HG12))
 OR {  425}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 54   and name HG2%)
 OR {  425}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 54   and name HG12))
 OR {  425}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 54   and name HG13))
 OR {  425}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 50   and name HG3 ))
 OR {  425}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 40   and name HB3 ))
 OR {  425}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 8    and name HB% )
 OR {  425}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 40   and name HG  ))
 OR {  425}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 34   and name HB% )
 OR {  425}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 31   and name HB3 ))
 OR {  425}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 16   and name HB3 ))
 OR {  425}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 16   and name HG3 ))
 OR {  425}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 16   and name HG2 ))
 OR {  425}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 61   and name HG  ))
 OR {  425}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 18   and name HB3 ))
 OR {  425}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 21   and name HG3 ))
 OR {  425}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 71   and name HG2 ))
 OR {  425}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 79   and name HB3 ))
 ASSI {  426}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 43   and name HE% )
      4.000     2.000     2.000 peak   426 spectrum    1 weight  0.10000E+01 volume  0.15547E-02 ppm1      0.597 ppm2      7.199 CV     1
 OR {  426}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 50   and name H   ))
 OR {  426}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 1    and name HD% )
 OR {  426}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 26   and name H   ))
 OR {  426}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 65   and name HD% )
 OR {  426}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 22   and name H   ))
 OR {  426}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 64   and name HZ2 ))
 OR {  426}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 70   and name HE  ))
 OR {  426}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 81   and name HE% )
 OR {  426}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 85   and name HE  ))
 ASSI {  427}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 52   and name H   ))
      4.800     2.800     1.200 peak   427 spectrum    1 weight  0.10000E+01 volume  0.76624E-03 ppm1      0.600 ppm2      8.743 CV     1
 OR {  427}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 47   and name H   ))
 OR {  427}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 42   and name H   ))
 OR {  427}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 34   and name H   ))
 OR {  427}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 60   and name H   ))
 OR {  427}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 29   and name H   ))
 ASSI {  428}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 46   and name H   ))
      2.600     0.900     0.900 peak   428 spectrum    1 weight  0.10000E+01 volume  0.14881E-02 ppm1      0.599 ppm2      8.895 CV     1
 OR {  428}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 48   and name H   ))
 OR {  428}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 53   and name H   ))
 OR {  428}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 11   and name H   ))
 OR {  428}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 14   and name H   ))
 OR {  428}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 32   and name H   ))
 OR {  428}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 31   and name H   ))
 OR {  428}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 20   and name H   ))
 ASSI {  429}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 52   and name H   ))
      4.900     2.900     1.100 peak   429 spectrum    1 weight  0.10000E+01 volume  0.83287E-03 ppm1      0.580 ppm2      8.735 CV     1
 OR {  429}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 47   and name H   ))
 OR {  429}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 42   and name H   ))
 OR {  429}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 34   and name H   ))
 OR {  429}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 29   and name H   ))
 OR {  429}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 60   and name H   ))
 ASSI {  430}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 45   and name HA  ))
      3.400     1.400     1.400 peak   430 spectrum    1 weight  0.10000E+01 volume  0.49362E-02 ppm1      0.580 ppm2      4.530 CV     1
 OR {  430}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 44   and name HA  ))
 OR {  430}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 52   and name HA  ))
 OR {  430}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 10   and name HA  ))
 OR {  430}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 9    and name HA  ))
 OR {  430}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 12   and name HA  ))
 OR {  430}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 57   and name HA  ))
 OR {  430}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 14   and name HA  ))
 OR {  430}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 32   and name HA  ))
 OR {  430}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 31   and name HA  ))
 OR {  430}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 4    and name HA  ))
 OR {  430}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 3    and name HA  ))
 OR {  430}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 17   and name HA  ))
 OR {  430}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 73   and name HA  ))
 OR {  430}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 76   and name HA  ))
 OR {  430}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 87   and name HA  ))
 ASSI {  431}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 43   and name HB3 ))
      2.900     1.100     1.100 peak   431 spectrum    1 weight  0.10000E+01 volume  0.34147E-02 ppm1      0.573 ppm2      2.563 CV     1
 OR {  431}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 43   and name HB2 ))
 OR {  431}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 35   and name HB2 ))
 OR {  431}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 37   and name HB2 ))
 OR {  431}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 10   and name HB3 ))
 OR {  431}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 9    and name HB2 ))
 OR {  431}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 9    and name HB2 ))
 OR {  431}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 10   and name HB3 ))
 OR {  431}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 43   and name HB2 ))
 OR {  431}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 43   and name HB3 ))
 OR {  431}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 35   and name HB2 ))
 OR {  431}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 37   and name HB2 ))
 OR {  431}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 20   and name HB2 ))
 OR {  431}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 20   and name HB3 ))
 OR {  431}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 20   and name HB2 ))
 OR {  431}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 20   and name HB3 ))
 OR {  431}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 80   and name HB2 ))
 OR {  431}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 83   and name HG2 ))
 OR {  431}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 80   and name HB2 ))
 OR {  431}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 87   and name HG2 ))
 OR {  431}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 83   and name HG2 ))
 OR {  431}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 87   and name HG2 ))
 ASSI {  432}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 50   and name HB2 ))
      3.700     1.700     1.700 peak   432 spectrum    1 weight  0.10000E+01 volume  0.13604E-02 ppm1      0.583 ppm2      1.769 CV     1
 OR {  432}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 47   and name HB2 ))
 OR {  432}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 41   and name HB3 ))
 OR {  432}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 41   and name HB2 ))
 OR {  432}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 29   and name HB  ))
 OR {  432}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 32   and name HB3 ))
 OR {  432}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 16   and name HB2 ))
 OR {  432}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 4    and name HB2 ))
 OR {  432}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 27   and name HB  ))
 OR {  432}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 17   and name HB3 ))
 OR {  432}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 18   and name HG  ))
 OR {  432}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 24   and name HB3 ))
 OR {  432}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 24   and name HG2 ))
 OR {  432}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 68   and name HG3 ))
 OR {  432}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 70   and name HB2 ))
 OR {  432}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 70   and name HB3 ))
 OR {  432}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 71   and name HB3 ))
 OR {  432}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 77   and name HB2 ))
 OR {  432}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 78   and name HB2 ))
 OR {  432}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 85   and name HB3 ))
 OR {  432}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 86   and name HB3 ))
 ASSI {  433}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 13   and name HG  ))
      2.000     0.500     0.500 peak   433 spectrum    1 weight  0.10000E+01 volume  0.15569E-01 ppm1      0.577 ppm2      1.587 CV     1
 OR {  433}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 45   and name HG  ))
 OR {  433}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 45   and name HB3 ))
 OR {  433}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 31   and name HB2 ))
 OR {  433}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 33   and name HB3 ))
 OR {  433}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 47   and name HG  ))
 OR {  433}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 16   and name HD3 ))
 OR {  433}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 16   and name HD2 ))
 OR {  433}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 3    and name HG  ))
 OR {  433}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 33   and name HB3 ))
 OR {  433}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 25   and name HG3 ))
 OR {  433}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 13   and name HG  ))
 OR {  433}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 31   and name HB2 ))
 OR {  433}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 45   and name HG  ))
 OR {  433}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 25   and name HD2 ))
 OR {  433}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 45   and name HB3 ))
 OR {  433}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 22   and name HB2 ))
 OR {  433}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 22   and name HB3 ))
 OR {  433}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 47   and name HG  ))
 OR {  433}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 21   and name HD2 ))
 OR {  433}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 21   and name HD3 ))
 OR {  433}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 16   and name HD2 ))
 OR {  433}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 16   and name HD3 ))
 OR {  433}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 3    and name HG  ))
 OR {  433}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 25   and name HG3 ))
 OR {  433}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 61   and name HB3 ))
 OR {  433}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 25   and name HD2 ))
 OR {  433}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 22   and name HB2 ))
 OR {  433}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 22   and name HB3 ))
 OR {  433}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 21   and name HD2 ))
 OR {  433}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 21   and name HD3 ))
 OR {  433}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 61   and name HB3 ))
 OR {  433}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 70   and name HG3 ))
 OR {  433}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 70   and name HG2 ))
 OR {  433}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 71   and name HD2 ))
 OR {  433}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 71   and name HD3 ))
 OR {  433}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 70   and name HG3 ))
 OR {  433}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 70   and name HG2 ))
 OR {  433}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 76   and name HB2 ))
 OR {  433}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 76   and name HG  ))
 OR {  433}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 71   and name HD2 ))
 OR {  433}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 71   and name HD3 ))
 OR {  433}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 78   and name HD2 ))
 OR {  433}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 78   and name HD3 ))
 OR {  433}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 76   and name HB2 ))
 OR {  433}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 76   and name HG  ))
 OR {  433}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 78   and name HD2 ))
 OR {  433}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 78   and name HD3 ))
 OR {  433}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 84   and name HB3 ))
 OR {  433}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 84   and name HG  ))
 OR {  433}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 85   and name HG2 ))
 OR {  433}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 85   and name HG3 ))
 OR {  433}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 86   and name HD3 ))
 OR {  433}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 86   and name HD2 ))
 OR {  433}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 84   and name HB3 ))
 OR {  433}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 84   and name HG  ))
 OR {  433}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 85   and name HG2 ))
 OR {  433}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 85   and name HG3 ))
 OR {  433}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 86   and name HD3 ))
 OR {  433}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 86   and name HD2 ))
 ASSI {  434}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 45   and name HB2 ))
      2.600     0.900     0.900 peak   434 spectrum    1 weight  0.10000E+01 volume  0.77123E-02 ppm1      0.582 ppm2      1.262 CV     1
 OR {  434}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 52   and name HG12))
 OR {  434}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 54   and name HG2%)
 OR {  434}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 50   and name HG3 ))
 OR {  434}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 54   and name HG12))
 OR {  434}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 54   and name HG13))
 OR {  434}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 40   and name HB3 ))
 OR {  434}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 8    and name HB% )
 OR {  434}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 34   and name HB% )
 OR {  434}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 40   and name HG  ))
 OR {  434}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 31   and name HB3 ))
 OR {  434}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 16   and name HB3 ))
 OR {  434}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 16   and name HG3 ))
 OR {  434}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 16   and name HG2 ))
 OR {  434}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 61   and name HG  ))
 OR {  434}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 18   and name HB3 ))
 OR {  434}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 21   and name HG3 ))
 OR {  434}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 71   and name HG3 ))
 OR {  434}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 71   and name HG2 ))
 OR {  434}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 79   and name HB3 ))
 ASSI {  435}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 13   and name HB2 ))
      2.800     1.000     1.000 peak   435 spectrum    1 weight  0.10000E+01 volume  0.15342E-01 ppm1      0.570 ppm2      1.073 CV     1
 OR {  435}
   (  segid "    " and resid 13   and name HD2%)
   (  segid "    " and resid 11   and name HG2%)
 OR {  435}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 31   and name HG  ))
 OR {  435}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 42   and name HB% )
 OR {  435}
   (  segid "    " and resid 13   and name HD2%)
   (  segid "    " and resid 42   and name HB% )
 OR {  435}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 11   and name HG2%)
 OR {  435}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 27   and name HG13))
 OR {  435}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 13   and name HB2 ))
 OR {  435}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 31   and name HG  ))
 OR {  435}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 27   and name HG13))
 OR {  435}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 75   and name HG2%)
 OR {  435}
   (  segid "    " and resid 13   and name HD2%)
   (  segid "    " and resid 75   and name HG2%)
 ASSI {  436}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 44   and name HG2%)
      1.800     0.400     0.400 peak   436 spectrum    1 weight  0.10000E+01 volume  0.22926E-01 ppm1      0.579 ppm2      0.717 CV     1
 OR {  436}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 54   and name HD1%)
 OR {  436}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 47   and name HD1%)
 OR {  436}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 47   and name HD2%)
 OR {  436}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 40   and name HD2%)
 OR {  436}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 40   and name HD1%)
 OR {  436}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 29   and name HG1%)
 OR {  436}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 31   and name HD1%)
 OR {  436}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 27   and name HD1%)
 OR {  436}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 26   and name HG2%)
 OR {  436}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 18   and name HD2%)
 OR {  436}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 2    and name HD1%)
 OR {  436}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 18   and name HD1%)
 OR {  436}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 22   and name HD1%)
 OR {  436}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 22   and name HD2%)
 OR {  436}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 72   and name HD2%)
 OR {  436}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 72   and name HD1%)
 OR {  436}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 79   and name HD1%)
 OR {  436}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 79   and name HD2%)
 OR {  436}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 84   and name HD2%)
 ASSI {  437}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 43   and name HE% )
      3.100     1.200     1.200 peak   437 spectrum    1 weight  0.10000E+01 volume  0.15103E-02 ppm1      0.586 ppm2      7.198 CV     1
 OR {  437}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 50   and name H   ))
 OR {  437}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 26   and name H   ))
 OR {  437}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 1    and name HD% )
 OR {  437}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 22   and name H   ))
 OR {  437}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 65   and name HD% )
 OR {  437}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 64   and name HZ2 ))
 OR {  437}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 70   and name HE  ))
 OR {  437}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 81   and name HE% )
 OR {  437}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 85   and name HE  ))
 ASSI {  438}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 43   and name HA  ))
      2.800     1.000     1.000 peak   438 spectrum    1 weight  0.10000E+01 volume  0.86064E-03 ppm1      0.571 ppm2      5.077 CV     1
 OR {  438}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 53   and name HA  ))
 OR {  438}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 43   and name HA  ))
 OR {  438}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 53   and name HA  ))
 ASSI {  439}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 49   and name HB2 ))
      4.000     2.000     2.000 peak   439 spectrum    1 weight  0.10000E+01 volume  0.12271E-02 ppm1      0.586 ppm2      2.173 CV     1
 OR {  439}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 5    and name HB2 ))
 OR {  439}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 54   and name HB  ))
 OR {  439}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 33   and name HG2 ))
 OR {  439}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 32   and name HG3 ))
 OR {  439}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 30   and name HG2 ))
 OR {  439}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 30   and name HG3 ))
 OR {  439}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 30   and name HB3 ))
 OR {  439}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 17   and name HB2 ))
 OR {  439}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 28   and name HG3 ))
 OR {  439}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 33   and name HG2 ))
 OR {  439}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 26   and name HB  ))
 OR {  439}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 32   and name HG3 ))
 OR {  439}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 54   and name HB  ))
 OR {  439}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 5    and name HB2 ))
 OR {  439}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 30   and name HB3 ))
 OR {  439}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 30   and name HG3 ))
 OR {  439}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 30   and name HG2 ))
 OR {  439}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 49   and name HB2 ))
 OR {  439}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 28   and name HG3 ))
 OR {  439}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 17   and name HB2 ))
 OR {  439}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 26   and name HB  ))
 OR {  439}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 63   and name HG3 ))
 OR {  439}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 63   and name HG2 ))
 OR {  439}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 66   and name HG2 ))
 OR {  439}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 63   and name HG3 ))
 OR {  439}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 63   and name HG2 ))
 OR {  439}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 69   and name HG2 ))
 OR {  439}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 69   and name HG3 ))
 OR {  439}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 66   and name HG2 ))
 OR {  439}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 69   and name HG2 ))
 OR {  439}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 69   and name HG3 ))
 OR {  439}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 77   and name HB3 ))
 OR {  439}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 77   and name HB3 ))
 ASSI {  440}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HB  ))
      3.300     1.400     1.400 peak   440 spectrum    1 weight  0.10000E+01 volume  0.87730E-03 ppm1      4.507 ppm2      1.936 CV     1
 OR {  440}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 49   and name HB3 ))
 OR {  440}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 47   and name HB3 ))
 OR {  440}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 41   and name HG3 ))
 OR {  440}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 50   and name HB3 ))
 OR {  440}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
 OR {  440}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 12   and name HB3 ))
 OR {  440}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 13   and name HB3 ))
 OR {  440}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 5    and name HG2 ))
 OR {  440}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 57   and name HB3 ))
 OR {  440}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 5    and name HG3 ))
 OR {  440}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 32   and name HB2 ))
 OR {  440}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
 OR {  440}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 4    and name HG3 ))
 OR {  440}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 59   and name HG2 ))
 OR {  440}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {  440}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 59   and name HB2 ))
 OR {  440}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
 OR {  440}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 24   and name HB2 ))
 OR {  440}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 63   and name HB2 ))
 OR {  440}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 66   and name HB2 ))
 OR {  440}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 66   and name HB3 ))
 OR {  440}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 68   and name HG2 ))
 OR {  440}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 68   and name HB2 ))
 OR {  440}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 69   and name HB3 ))
 OR {  440}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 69   and name HB2 ))
 OR {  440}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 77   and name HG2 ))
 OR {  440}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 77   and name HG3 ))
 OR {  440}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 83   and name HB2 ))
 OR {  440}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 87   and name HB3 ))
 ASSI {  441}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 45   and name H   ))
      2.400     0.700     0.700 peak   441 spectrum    1 weight  0.10000E+01 volume  0.49473E-02 ppm1      4.506 ppm2      9.058 CV     1
 OR {  441}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 30   and name H   ))
 OR {  441}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 27   and name H   ))
 ASSI {  442}
   (  segid "    " and resid 44   and name HG1%)
   (  segid "    " and resid 45   and name HD2%)
      3.600     1.700     1.700 peak   442 spectrum    1 weight  0.10000E+01 volume  0.25874E-02 ppm1      0.400 ppm2      0.627 CV     1
 OR {  442}
   (  segid "    " and resid 44   and name HG1%)
   (  segid "    " and resid 45   and name HD1%)
 OR {  442}
   (  segid "    " and resid 44   and name HG1%)
   (  segid "    " and resid 52   and name HG2%)
 OR {  442}
   (  segid "    " and resid 44   and name HG1%)
   (  segid "    " and resid 13   and name HD2%)
 OR {  442}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 57   and name H   ))
 OR {  442}
   (  segid "    " and resid 44   and name HG1%)
   (  segid "    " and resid 31   and name HD1%)
 OR {  442}
   (  segid "    " and resid 44   and name HG1%)
   (  segid "    " and resid 26   and name HG2%)
 OR {  442}
   (  segid "    " and resid 44   and name HG1%)
   (  segid "    " and resid 18   and name HD1%)
 OR {  442}
   (  segid "    " and resid 44   and name HG1%)
   (  segid "    " and resid 22   and name HD2%)
 OR {  442}
   (  segid "    " and resid 44   and name HG1%)
   (  segid "    " and resid 79   and name HD1%)
 ASSI {  443}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 45   and name HB3 ))
      4.000     2.000     2.000 peak   443 spectrum    1 weight  0.10000E+01 volume  0.13215E-02 ppm1      0.398 ppm2      1.613 CV     1
 OR {  443}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 45   and name HG  ))
 OR {  443}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 33   and name HB3 ))
 OR {  443}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 13   and name HG  ))
 OR {  443}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 31   and name HB2 ))
 OR {  443}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 16   and name HD2 ))
 OR {  443}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 3    and name HG  ))
 OR {  443}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 25   and name HG3 ))
 OR {  443}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 25   and name HD3 ))
 OR {  443}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 25   and name HD2 ))
 OR {  443}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 22   and name HB2 ))
 OR {  443}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 22   and name HB3 ))
 OR {  443}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 21   and name HB3 ))
 OR {  443}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 21   and name HB2 ))
 OR {  443}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 21   and name HD2 ))
 OR {  443}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 21   and name HD3 ))
 OR {  443}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 68   and name HB3 ))
 OR {  443}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 70   and name HG2 ))
 OR {  443}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 71   and name HB2 ))
 OR {  443}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 71   and name HD2 ))
 OR {  443}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 71   and name HD3 ))
 OR {  443}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 76   and name HG  ))
 OR {  443}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 78   and name HB3 ))
 OR {  443}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 78   and name HD2 ))
 OR {  443}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 78   and name HD3 ))
 OR {  443}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 84   and name HB3 ))
 OR {  443}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 85   and name HB2 ))
 OR {  443}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 86   and name HD3 ))
 OR {  443}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 86   and name HD2 ))
 ASSI {  444}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 41   and name HG2 ))
      2.500     0.800     0.800 peak   444 spectrum    1 weight  0.10000E+01 volume  0.10272E-02 ppm1      0.399 ppm2      2.231 CV     1
 OR {  444}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 54   and name HB  ))
 OR {  444}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 49   and name HB2 ))
 OR {  444}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 49   and name HG3 ))
 OR {  444}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 12   and name HG2 ))
 OR {  444}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 49   and name HG2 ))
 OR {  444}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 12   and name HG3 ))
 OR {  444}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 33   and name HG2 ))
 OR {  444}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 5    and name HB2 ))
 OR {  444}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 32   and name HG2 ))
 OR {  444}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 28   and name HG2 ))
 OR {  444}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 30   and name HG2 ))
 OR {  444}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 4    and name HB3 ))
 OR {  444}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 26   and name HB  ))
 OR {  444}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 17   and name HB2 ))
 OR {  444}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 63   and name HG3 ))
 OR {  444}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 63   and name HG2 ))
 OR {  444}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 66   and name HG3 ))
 OR {  444}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 69   and name HG3 ))
 OR {  444}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 77   and name HB3 ))
 ASSI {  446}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 45   and name HB2 ))
      3.800     1.800     1.800 peak   446 spectrum    1 weight  0.10000E+01 volume  0.15991E-02 ppm1      0.772 ppm2      1.265 CV     1
 OR {  446}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 52   and name HG12))
 OR {  446}
   (  segid "    " and resid 44   and name HG2%)
   (  segid "    " and resid 54   and name HG2%)
 OR {  446}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 54   and name HG12))
 OR {  446}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 54   and name HG13))
 OR {  446}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 40   and name HB3 ))
 OR {  446}
   (  segid "    " and resid 44   and name HG2%)
   (  segid "    " and resid 8    and name HB% )
 OR {  446}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 40   and name HG  ))
 OR {  446}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 50   and name HG3 ))
 OR {  446}
   (  segid "    " and resid 44   and name HG2%)
   (  segid "    " and resid 34   and name HB% )
 OR {  446}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 31   and name HB3 ))
 OR {  446}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 16   and name HB3 ))
 OR {  446}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 16   and name HG3 ))
 OR {  446}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 16   and name HG2 ))
 OR {  446}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 61   and name HG  ))
 OR {  446}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 18   and name HB3 ))
 OR {  446}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 21   and name HG3 ))
 OR {  446}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 71   and name HG3 ))
 OR {  446}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 71   and name HG2 ))
 OR {  446}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 78   and name HG2 ))
 OR {  446}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 79   and name HB3 ))
 ASSI {  447}
   (  segid "    " and resid 44   and name HG2%)
   (  segid "    " and resid 54   and name HG2%)
      3.400     1.500     1.500 peak   447 spectrum    1 weight  0.10000E+01 volume  0.13826E-02 ppm1      0.773 ppm2      1.176 CV     1
 OR {  447}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 40   and name HB3 ))
 OR {  447}
   (  segid "    " and resid 44   and name HG2%)
   (  segid "    " and resid 7    and name HG2%)
 OR {  447}
   (  segid "    " and resid 44   and name HG2%)
   (  segid "    " and resid 34   and name HB% )
 OR {  447}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 13   and name HB2 ))
 OR {  447}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 31   and name HB3 ))
 OR {  447}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 31   and name HG  ))
 OR {  447}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 16   and name HB3 ))
 OR {  447}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 16   and name HG3 ))
 OR {  447}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 16   and name HG2 ))
 OR {  447}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 61   and name HG  ))
 OR {  447}
   (  segid "    " and resid 44   and name HG2%)
   (  segid "    " and resid 75   and name HG2%)
 OR {  447}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 79   and name HB3 ))
 ASSI {  448}
   (  segid "    " and resid 44   and name HG2%)
   (  segid "    " and resid 42   and name HB% )
      1.800     0.400     0.400 peak   448 spectrum    1 weight  0.10000E+01 volume  0.52583E-02 ppm1      0.770 ppm2      1.079 CV     1
 OR {  448}
   (  segid "    " and resid 44   and name HG2%)
   (  segid "    " and resid 11   and name HG2%)
 OR {  448}
   (  segid "    " and resid 44   and name HG2%)
   (  segid "    " and resid 7    and name HG2%)
 OR {  448}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 13   and name HB2 ))
 OR {  448}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 31   and name HG  ))
 OR {  448}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 27   and name HG13))
 OR {  448}
   (  segid "    " and resid 44   and name HG2%)
   (  segid "    " and resid 75   and name HG2%)
 ASSI {  449}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 45   and name HG  ))
      4.000     2.000     2.000 peak   449 spectrum    1 weight  0.10000E+01 volume  0.21543E-02 ppm1      0.771 ppm2      1.619 CV     1
 OR {  449}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 45   and name HB3 ))
 OR {  449}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 56   and name HG3 ))
 OR {  449}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 33   and name HB3 ))
 OR {  449}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 13   and name HG  ))
 OR {  449}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 31   and name HB2 ))
 OR {  449}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 16   and name HD2 ))
 OR {  449}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 3    and name HG  ))
 OR {  449}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 25   and name HG3 ))
 OR {  449}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 25   and name HD3 ))
 OR {  449}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 25   and name HD2 ))
 OR {  449}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 22   and name HB2 ))
 OR {  449}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 22   and name HB3 ))
 OR {  449}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 21   and name HB3 ))
 OR {  449}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 21   and name HB2 ))
 OR {  449}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 21   and name HD2 ))
 OR {  449}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 21   and name HD3 ))
 OR {  449}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 68   and name HB3 ))
 OR {  449}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 70   and name HG2 ))
 OR {  449}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 71   and name HB2 ))
 OR {  449}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 71   and name HD2 ))
 OR {  449}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 71   and name HD3 ))
 OR {  449}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 76   and name HG  ))
 OR {  449}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 78   and name HB3 ))
 OR {  449}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 78   and name HD2 ))
 OR {  449}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 78   and name HD3 ))
 OR {  449}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 84   and name HB3 ))
 OR {  449}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 85   and name HB2 ))
 OR {  449}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 86   and name HD3 ))
 OR {  449}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 86   and name HD2 ))
 ASSI {  450}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 41   and name HG2 ))
      2.600     0.800     0.800 peak   450 spectrum    1 weight  0.10000E+01 volume  0.30928E-02 ppm1      0.769 ppm2      2.247 CV     1
 OR {  450}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 54   and name HB  ))
 OR {  450}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 49   and name HB2 ))
 OR {  450}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 49   and name HG3 ))
 OR {  450}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 49   and name HG2 ))
 OR {  450}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 12   and name HG2 ))
 OR {  450}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 12   and name HG3 ))
 OR {  450}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 33   and name HG2 ))
 OR {  450}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 5    and name HB2 ))
 OR {  450}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 32   and name HG2 ))
 OR {  450}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 30   and name HG2 ))
 OR {  450}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 28   and name HG2 ))
 OR {  450}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 4    and name HB3 ))
 OR {  450}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 17   and name HB2 ))
 OR {  450}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 63   and name HG3 ))
 OR {  450}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 63   and name HG2 ))
 OR {  450}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 66   and name HG3 ))
 OR {  450}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 69   and name HG3 ))
 ASSI {  451}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 43   and name HB3 ))
      3.400     1.400     1.400 peak   451 spectrum    1 weight  0.10000E+01 volume  0.14325E-02 ppm1      0.771 ppm2      2.616 CV     1
 OR {  451}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 53   and name HB2 ))
 OR {  451}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 43   and name HB2 ))
 OR {  451}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 9    and name HB2 ))
 OR {  451}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 35   and name HB3 ))
 OR {  451}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 37   and name HB2 ))
 OR {  451}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 35   and name HB2 ))
 OR {  451}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 20   and name HB2 ))
 OR {  451}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 20   and name HB3 ))
 OR {  451}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 80   and name HB2 ))
 OR {  451}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 87   and name HG2 ))
 ASSI {  452}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 46   and name H   ))
      3.600     1.600     1.600 peak   452 spectrum    1 weight  0.10000E+01 volume  0.20211E-02 ppm1      0.772 ppm2      8.854 CV     1
 OR {  452}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 48   and name H   ))
 OR {  452}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 53   and name H   ))
 OR {  452}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 11   and name H   ))
 OR {  452}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 32   and name H   ))
 OR {  452}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 31   and name H   ))
 OR {  452}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 20   and name H   ))
 ASSI {  453}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 43   and name HE% )
      3.800     1.800     1.800 peak   453 spectrum    1 weight  0.10000E+01 volume  0.12160E-02 ppm1      5.113 ppm2      7.184 CV     1
 OR {  453}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 50   and name H   ))
 OR {  453}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 58   and name HD22))
 OR {  453}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 26   and name H   ))
 OR {  453}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 1    and name HD% )
 OR {  453}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 22   and name H   ))
 OR {  453}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 65   and name HD% )
 OR {  453}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 64   and name HZ2 ))
 OR {  453}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 70   and name HE  ))
 OR {  453}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 73   and name HD2 ))
 OR {  453}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 81   and name HE% )
 OR {  453}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 85   and name HE  ))
 ASSI {  454}
   (( segid "    " and resid 43   and name HB3 ))
   (  segid "    " and resid 52   and name HG2%)
      3.600     1.600     1.600 peak   454 spectrum    1 weight  0.10000E+01 volume  0.14714E-02 ppm1      2.620 ppm2      0.596 CV     1
 OR {  454}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 52   and name HG2%)
 OR {  454}
   (( segid "    " and resid 43   and name HB3 ))
   (  segid "    " and resid 45   and name HD2%)
 OR {  454}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 45   and name HD2%)
 OR {  454}
   (( segid "    " and resid 43   and name HB3 ))
   (  segid "    " and resid 45   and name HD1%)
 OR {  454}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 45   and name HD1%)
 OR {  454}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 13   and name HD2%)
 OR {  454}
   (( segid "    " and resid 43   and name HB3 ))
   (  segid "    " and resid 13   and name HD2%)
 OR {  454}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 31   and name HD1%)
 OR {  454}
   (( segid "    " and resid 43   and name HB3 ))
   (  segid "    " and resid 31   and name HD1%)
 OR {  454}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 57   and name H   ))
 OR {  454}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 57   and name H   ))
 OR {  454}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 22   and name HD2%)
 OR {  454}
   (( segid "    " and resid 43   and name HB3 ))
   (  segid "    " and resid 22   and name HD2%)
 ASSI {  456}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 12   and name HG2 ))
      2.900     1.000     1.000 peak   456 spectrum    1 weight  0.10000E+01 volume  0.10716E-02 ppm1      2.560 ppm2      2.224 CV     1
 OR {  456}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 12   and name HG2 ))
 OR {  456}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 12   and name HG3 ))
 OR {  456}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 54   and name HB  ))
 OR {  456}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 12   and name HG3 ))
 OR {  456}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 54   and name HB  ))
 OR {  456}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 49   and name HB2 ))
 OR {  456}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 33   and name HG2 ))
 OR {  456}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 49   and name HG3 ))
 OR {  456}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 33   and name HG2 ))
 OR {  456}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 49   and name HB2 ))
 OR {  456}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 49   and name HG2 ))
 OR {  456}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 49   and name HG3 ))
 OR {  456}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 49   and name HG2 ))
 OR {  456}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 5    and name HB2 ))
 OR {  456}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 32   and name HG2 ))
 OR {  456}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 5    and name HB2 ))
 OR {  456}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 32   and name HG2 ))
 OR {  456}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 30   and name HG2 ))
 OR {  456}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 28   and name HG2 ))
 OR {  456}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 28   and name HG3 ))
 OR {  456}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 30   and name HG2 ))
 OR {  456}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 4    and name HB3 ))
 OR {  456}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 4    and name HB3 ))
 OR {  456}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 28   and name HG2 ))
 OR {  456}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 28   and name HG3 ))
 OR {  456}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 17   and name HB2 ))
 OR {  456}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 26   and name HB  ))
 OR {  456}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 17   and name HB2 ))
 OR {  456}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 26   and name HB  ))
 OR {  456}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 63   and name HG3 ))
 OR {  456}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 63   and name HG2 ))
 OR {  456}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 63   and name HG3 ))
 OR {  456}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 63   and name HG2 ))
 OR {  456}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 66   and name HG3 ))
 OR {  456}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 66   and name HG3 ))
 OR {  456}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 69   and name HG3 ))
 OR {  456}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 69   and name HG3 ))
 OR {  456}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 77   and name HB3 ))
 OR {  456}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 77   and name HB3 ))
 ASSI {  457}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 29   and name HG2%)
      2.700     0.900     0.900 peak   457 spectrum    1 weight  0.10000E+01 volume  0.18434E-02 ppm1      2.547 ppm2      0.574 CV     1
 OR {  457}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 13   and name HD2%)
 OR {  457}
   (( segid "    " and resid 10   and name HB3 ))
   (  segid "    " and resid 45   and name HD2%)
 OR {  457}
   (( segid "    " and resid 10   and name HB3 ))
   (  segid "    " and resid 45   and name HD1%)
 OR {  457}
   (( segid "    " and resid 10   and name HB3 ))
   (  segid "    " and resid 13   and name HD2%)
 OR {  457}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 45   and name HD2%)
 OR {  457}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 45   and name HD1%)
 OR {  457}
   (( segid "    " and resid 10   and name HB3 ))
   (  segid "    " and resid 29   and name HG2%)
 OR {  457}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 57   and name H   ))
 OR {  457}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 57   and name H   ))
 ASSI {  458}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 44   and name H   ))
      4.200     2.200     1.800 peak   458 spectrum    1 weight  0.10000E+01 volume  0.94948E-03 ppm1      2.600 ppm2      9.539 CV     1
 OR {  458}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 44   and name H   ))
 OR {  458}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 10   and name H   ))
 OR {  458}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 10   and name H   ))
 ASSI {  460}
   (  segid "    " and resid 42   and name HB% )
   (  segid "    " and resid 45   and name HD2%)
      2.500     0.800     0.800 peak   460 spectrum    1 weight  0.10000E+01 volume  0.13953E-01 ppm1      1.066 ppm2      0.571 CV     1
 OR {  460}
   (  segid "    " and resid 42   and name HB% )
   (  segid "    " and resid 45   and name HD1%)
 OR {  460}
   (  segid "    " and resid 42   and name HB% )
   (  segid "    " and resid 13   and name HD2%)
 OR {  460}
   (  segid "    " and resid 42   and name HB% )
   (  segid "    " and resid 29   and name HG2%)
 OR {  460}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 57   and name H   ))
 ASSI {  461}
   (  segid "    " and resid 42   and name HB% )
   (  segid "    " and resid 40   and name HD1%)
      2.800     1.000     1.000 peak   461 spectrum    1 weight  0.10000E+01 volume  0.59023E-02 ppm1      1.064 ppm2      0.835 CV     1
 OR {  461}
   (  segid "    " and resid 42   and name HB% )
   (  segid "    " and resid 44   and name HG2%)
 OR {  461}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 52   and name HG13))
 OR {  461}
   (  segid "    " and resid 42   and name HB% )
   (  segid "    " and resid 13   and name HD1%)
 OR {  461}
   (  segid "    " and resid 42   and name HB% )
   (  segid "    " and resid 54   and name HD1%)
 OR {  461}
   (  segid "    " and resid 42   and name HB% )
   (  segid "    " and resid 3    and name HD2%)
 OR {  461}
   (  segid "    " and resid 42   and name HB% )
   (  segid "    " and resid 27   and name HG2%)
 OR {  461}
   (  segid "    " and resid 42   and name HB% )
   (  segid "    " and resid 26   and name HG1%)
 OR {  461}
   (  segid "    " and resid 42   and name HB% )
   (  segid "    " and resid 3    and name HD1%)
 OR {  461}
   (  segid "    " and resid 42   and name HB% )
   (  segid "    " and resid 2    and name HD1%)
 OR {  461}
   (  segid "    " and resid 42   and name HB% )
   (  segid "    " and resid 2    and name HD2%)
 OR {  461}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 23   and name HB3 ))
 OR {  461}
   (  segid "    " and resid 42   and name HB% )
   (  segid "    " and resid 72   and name HD2%)
 OR {  461}
   (  segid "    " and resid 42   and name HB% )
   (  segid "    " and resid 76   and name HD2%)
 OR {  461}
   (  segid "    " and resid 42   and name HB% )
   (  segid "    " and resid 76   and name HD1%)
 OR {  461}
   (  segid "    " and resid 42   and name HB% )
   (  segid "    " and resid 84   and name HD2%)
 OR {  461}
   (  segid "    " and resid 42   and name HB% )
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  462}
   (  segid "    " and resid 42   and name HB% )
   (  segid "    " and resid 40   and name HD2%)
      2.300     0.600     0.600 peak   462 spectrum    1 weight  0.10000E+01 volume  0.89562E-02 ppm1      1.068 ppm2      0.763 CV     1
 OR {  462}
   (  segid "    " and resid 42   and name HB% )
   (  segid "    " and resid 40   and name HD1%)
 OR {  462}
   (  segid "    " and resid 42   and name HB% )
   (  segid "    " and resid 44   and name HG2%)
 OR {  462}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 52   and name HG13))
 OR {  462}
   (  segid "    " and resid 42   and name HB% )
   (  segid "    " and resid 29   and name HG1%)
 OR {  462}
   (  segid "    " and resid 42   and name HB% )
   (  segid "    " and resid 54   and name HD1%)
 OR {  462}
   (  segid "    " and resid 42   and name HB% )
   (  segid "    " and resid 47   and name HD1%)
 OR {  462}
   (  segid "    " and resid 42   and name HB% )
   (  segid "    " and resid 47   and name HD2%)
 OR {  462}
   (  segid "    " and resid 42   and name HB% )
   (  segid "    " and resid 27   and name HD1%)
 OR {  462}
   (  segid "    " and resid 42   and name HB% )
   (  segid "    " and resid 2    and name HD1%)
 OR {  462}
   (  segid "    " and resid 42   and name HB% )
   (  segid "    " and resid 18   and name HD2%)
 OR {  462}
   (  segid "    " and resid 42   and name HB% )
   (  segid "    " and resid 2    and name HD2%)
 OR {  462}
   (  segid "    " and resid 42   and name HB% )
   (  segid "    " and resid 18   and name HD1%)
 OR {  462}
   (  segid "    " and resid 42   and name HB% )
   (  segid "    " and resid 22   and name HD1%)
 OR {  462}
   (  segid "    " and resid 42   and name HB% )
   (  segid "    " and resid 72   and name HD2%)
 OR {  462}
   (  segid "    " and resid 42   and name HB% )
   (  segid "    " and resid 72   and name HD1%)
 OR {  462}
   (  segid "    " and resid 42   and name HB% )
   (  segid "    " and resid 76   and name HD2%)
 OR {  462}
   (  segid "    " and resid 42   and name HB% )
   (  segid "    " and resid 76   and name HD1%)
 OR {  462}
   (  segid "    " and resid 42   and name HB% )
   (  segid "    " and resid 79   and name HD2%)
 OR {  462}
   (  segid "    " and resid 42   and name HB% )
   (  segid "    " and resid 84   and name HD2%)
 OR {  462}
   (  segid "    " and resid 42   and name HB% )
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  463}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 45   and name HG  ))
      3.700     1.700     1.700 peak   463 spectrum    1 weight  0.10000E+01 volume  0.11494E-02 ppm1      1.069 ppm2      1.572 CV     1
 OR {  463}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 45   and name HB3 ))
 OR {  463}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 13   and name HG  ))
 OR {  463}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 31   and name HB2 ))
 OR {  463}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 47   and name HG  ))
 OR {  463}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 16   and name HD2 ))
 OR {  463}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 16   and name HD3 ))
 OR {  463}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 3    and name HG  ))
 OR {  463}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 25   and name HG3 ))
 OR {  463}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 25   and name HD2 ))
 OR {  463}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 22   and name HB2 ))
 OR {  463}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 22   and name HB3 ))
 OR {  463}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 21   and name HD2 ))
 OR {  463}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 21   and name HD3 ))
 OR {  463}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 61   and name HB3 ))
 OR {  463}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 70   and name HG3 ))
 OR {  463}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 70   and name HG2 ))
 OR {  463}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 71   and name HD2 ))
 OR {  463}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 71   and name HD3 ))
 OR {  463}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 72   and name HB3 ))
 OR {  463}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 76   and name HB2 ))
 OR {  463}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 76   and name HG  ))
 OR {  463}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 78   and name HD2 ))
 OR {  463}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 78   and name HD3 ))
 OR {  463}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 84   and name HB2 ))
 OR {  463}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 84   and name HB3 ))
 OR {  463}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 84   and name HG  ))
 OR {  463}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 85   and name HG2 ))
 OR {  463}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 85   and name HG3 ))
 OR {  463}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 86   and name HD3 ))
 OR {  463}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 86   and name HD2 ))
 ASSI {  464}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 10   and name HB2 ))
      3.000     1.100     1.100 peak   464 spectrum    1 weight  0.10000E+01 volume  0.27041E-02 ppm1      1.065 ppm2      2.711 CV     1
 OR {  464}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 35   and name HB3 ))
 OR {  464}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 53   and name HB2 ))
 OR {  464}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 55   and name HB3 ))
 OR {  464}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 80   and name HB3 ))
 ASSI {  465}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 43   and name HB2 ))
      3.200     1.300     1.300 peak   465 spectrum    1 weight  0.10000E+01 volume  0.23376E-02 ppm1      1.067 ppm2      2.587 CV     1
 OR {  465}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 9    and name HB2 ))
 OR {  465}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 43   and name HB3 ))
 OR {  465}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 37   and name HB2 ))
 OR {  465}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 10   and name HB3 ))
 OR {  465}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 35   and name HB2 ))
 OR {  465}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 53   and name HB2 ))
 OR {  465}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 20   and name HB2 ))
 OR {  465}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 20   and name HB3 ))
 OR {  465}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 80   and name HB2 ))
 OR {  465}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 83   and name HG2 ))
 OR {  465}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 87   and name HG2 ))
 ASSI {  466}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 53   and name HB3 ))
      2.000     0.500     0.500 peak   466 spectrum    1 weight  0.10000E+01 volume  0.22433E-02 ppm1      1.066 ppm2      3.646 CV     1
 OR {  466}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 5    and name HD2 ))
 OR {  466}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 17   and name HD3 ))
 OR {  466}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 56   and name HD2 ))
 OR {  466}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 26   and name HA  ))
 OR {  466}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 23   and name HA  ))
 OR {  466}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 59   and name HD2 ))
 OR {  466}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 60   and name HB2 ))
 OR {  466}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 88   and name HA2 ))
 OR {  466}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 88   and name HA3 ))
 ASSI {  467}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 40   and name HA  ))
      2.700     0.900     0.900 peak   467 spectrum    1 weight  0.10000E+01 volume  0.32427E-02 ppm1      1.069 ppm2      4.482 CV     1
 OR {  467}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 9    and name HA  ))
 OR {  467}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 44   and name HA  ))
 OR {  467}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 10   and name HA  ))
 OR {  467}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 12   and name HA  ))
 OR {  467}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 52   and name HA  ))
 OR {  467}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 14   and name HA  ))
 OR {  467}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 31   and name HA  ))
 OR {  467}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 32   and name HA  ))
 OR {  467}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 49   and name HA  ))
 OR {  467}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 3    and name HA  ))
 OR {  467}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 17   and name HA  ))
 OR {  467}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 18   and name HA  ))
 OR {  467}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 57   and name HA  ))
 OR {  467}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 59   and name HA  ))
 OR {  467}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 67   and name HA  ))
 OR {  467}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 76   and name HA  ))
 OR {  467}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 81   and name HA  ))
 OR {  467}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 87   and name HA  ))
 ASSI {  468}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 42   and name H   ))
      2.600     0.800     0.800 peak   468 spectrum    1 weight  0.10000E+01 volume  0.41144E-02 ppm1      4.629 ppm2      8.700 CV     1
 OR {  468}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 52   and name H   ))
 OR {  468}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 47   and name H   ))
 OR {  468}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 29   and name H   ))
 OR {  468}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 60   and name H   ))
 ASSI {  469}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 51   and name H   ))
      2.300     0.700     0.700 peak   469 spectrum    1 weight  0.10000E+01 volume  0.70795E-02 ppm1      4.628 ppm2      8.538 CV     1
 OR {  469}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 37   and name H   ))
 OR {  469}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 13   and name H   ))
 OR {  469}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 13   and name H   ))
 OR {  469}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 37   and name H   ))
 OR {  469}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 51   and name H   ))
 ASSI {  470}
   (( segid "    " and resid 41   and name HG3 ))
   (  segid "    " and resid 40   and name HD1%)
      3.300     1.300     1.300 peak   470 spectrum    1 weight  0.10000E+01 volume  0.13715E-02 ppm1      1.866 ppm2      0.754 CV     1
 OR {  470}
   (( segid "    " and resid 41   and name HG3 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  470}
   (( segid "    " and resid 41   and name HG3 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  470}
   (( segid "    " and resid 41   and name HG3 ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  470}
   (( segid "    " and resid 41   and name HG3 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  470}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 52   and name HG13))
 OR {  470}
   (( segid "    " and resid 41   and name HG3 ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  470}
   (( segid "    " and resid 41   and name HG3 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  470}
   (( segid "    " and resid 41   and name HG3 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  470}
   (( segid "    " and resid 41   and name HG3 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  470}
   (( segid "    " and resid 41   and name HG3 ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  470}
   (( segid "    " and resid 41   and name HG3 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  470}
   (( segid "    " and resid 41   and name HG3 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  470}
   (( segid "    " and resid 41   and name HG3 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  470}
   (( segid "    " and resid 41   and name HG3 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  470}
   (( segid "    " and resid 41   and name HG3 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  470}
   (( segid "    " and resid 41   and name HG3 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  470}
   (( segid "    " and resid 41   and name HG3 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  470}
   (( segid "    " and resid 41   and name HG3 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  470}
   (( segid "    " and resid 41   and name HG3 ))
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  471}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 40   and name HB2 ))
      2.200     0.600     0.600 peak   471 spectrum    1 weight  0.10000E+01 volume  0.15158E-02 ppm1      1.856 ppm2      1.369 CV     1
 OR {  471}
   (( segid "    " and resid 41   and name HG3 ))
   (  segid "    " and resid 8    and name HB% )
 OR {  471}
   (( segid "    " and resid 41   and name HG3 ))
   (  segid "    " and resid 48   and name HB% )
 OR {  471}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 15   and name HB2 ))
 OR {  471}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 56   and name HG2 ))
 OR {  471}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 15   and name HG3 ))
 OR {  471}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 25   and name HG2 ))
 OR {  471}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 23   and name HG  ))
 OR {  471}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 61   and name HB2 ))
 OR {  471}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 22   and name HG  ))
 OR {  471}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 21   and name HG2 ))
 OR {  471}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 71   and name HG3 ))
 OR {  471}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 72   and name HB2 ))
 OR {  471}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 72   and name HG  ))
 OR {  471}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 78   and name HG2 ))
 OR {  471}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 78   and name HG3 ))
 OR {  471}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 79   and name HG  ))
 OR {  471}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 79   and name HB2 ))
 OR {  471}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 86   and name HG2 ))
 OR {  471}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 86   and name HG3 ))
 ASSI {  472}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 42   and name HA  ))
      4.300     2.300     1.700 peak   472 spectrum    1 weight  0.10000E+01 volume  0.13770E-02 ppm1      1.856 ppm2      4.360 CV     1
 OR {  472}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 40   and name HA  ))
 OR {  472}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 8    and name HA  ))
 OR {  472}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 11   and name HA  ))
 OR {  472}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 13   and name HA  ))
 OR {  472}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 6    and name HA  ))
 OR {  472}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 5    and name HA  ))
 OR {  472}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 55   and name HA  ))
 OR {  472}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 15   and name HA  ))
 OR {  472}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 56   and name HA  ))
 OR {  472}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 33   and name HA  ))
 OR {  472}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 16   and name HA  ))
 OR {  472}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 2    and name HA  ))
 OR {  472}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 25   and name HA  ))
 OR {  472}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 59   and name HA  ))
 OR {  472}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 19   and name HA  ))
 OR {  472}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 60   and name HA  ))
 OR {  472}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 75   and name HA  ))
 OR {  472}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 77   and name HA  ))
 OR {  472}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 83   and name HA  ))
 ASSI {  473}
   (( segid "    " and resid 41   and name HG3 ))
   (  segid "    " and resid 43   and name HD% )
      3.700     1.700     1.700 peak   473 spectrum    1 weight  0.10000E+01 volume  0.20321E-02 ppm1      1.867 ppm2      6.848 CV     1
 OR {  473}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 12   and name HE21))
 OR {  473}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 49   and name HE22))
 OR {  473}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 57   and name HE22))
 OR {  473}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 63   and name HE22))
 OR {  473}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 64   and name HD1 ))
 OR {  473}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 64   and name HH2 ))
 OR {  473}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 65   and name HZ  ))
 OR {  473}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 80   and name HD22))
 ASSI {  474}
   (( segid "    " and resid 41   and name HB2 ))
   (  segid "    " and resid 40   and name HD1%)
      2.700     0.900     0.900 peak   474 spectrum    1 weight  0.10000E+01 volume  0.12160E-02 ppm1      1.775 ppm2      0.772 CV     1
 OR {  474}
   (( segid "    " and resid 41   and name HB2 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  474}
   (( segid "    " and resid 41   and name HB3 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  474}
   (( segid "    " and resid 41   and name HB3 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  474}
   (( segid "    " and resid 41   and name HB2 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  474}
   (( segid "    " and resid 41   and name HB3 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  474}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 52   and name HG13))
 OR {  474}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 52   and name HG13))
 OR {  474}
   (( segid "    " and resid 41   and name HB2 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  474}
   (( segid "    " and resid 41   and name HB2 ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  474}
   (( segid "    " and resid 41   and name HB3 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  474}
   (( segid "    " and resid 41   and name HB3 ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  474}
   (( segid "    " and resid 41   and name HB2 ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  474}
   (( segid "    " and resid 41   and name HB3 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  474}
   (( segid "    " and resid 41   and name HB3 ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  474}
   (( segid "    " and resid 41   and name HB2 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  474}
   (( segid "    " and resid 41   and name HB3 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  474}
   (( segid "    " and resid 41   and name HB2 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  474}
   (( segid "    " and resid 41   and name HB3 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  474}
   (( segid "    " and resid 41   and name HB3 ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  474}
   (( segid "    " and resid 41   and name HB2 ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  474}
   (( segid "    " and resid 41   and name HB2 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  474}
   (( segid "    " and resid 41   and name HB3 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  474}
   (( segid "    " and resid 41   and name HB2 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  474}
   (( segid "    " and resid 41   and name HB3 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  474}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {  474}
   (( segid "    " and resid 41   and name HB2 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  474}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {  474}
   (( segid "    " and resid 41   and name HB2 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  474}
   (( segid "    " and resid 41   and name HB3 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  474}
   (( segid "    " and resid 41   and name HB2 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  474}
   (( segid "    " and resid 41   and name HB3 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  474}
   (( segid "    " and resid 41   and name HB2 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  474}
   (( segid "    " and resid 41   and name HB3 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  474}
   (( segid "    " and resid 41   and name HB2 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  474}
   (( segid "    " and resid 41   and name HB3 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  474}
   (( segid "    " and resid 41   and name HB2 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  474}
   (( segid "    " and resid 41   and name HB3 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  474}
   (( segid "    " and resid 41   and name HB2 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  474}
   (( segid "    " and resid 41   and name HB3 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  474}
   (( segid "    " and resid 41   and name HB2 ))
   (  segid "    " and resid 84   and name HD1%)
 OR {  474}
   (( segid "    " and resid 41   and name HB3 ))
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  475}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 40   and name HB2 ))
      3.300     1.300     1.300 peak   475 spectrum    1 weight  0.10000E+01 volume  0.13437E-02 ppm1      1.785 ppm2      1.389 CV     1
 OR {  475}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 40   and name HB2 ))
 OR {  475}
   (( segid "    " and resid 41   and name HB2 ))
   (  segid "    " and resid 48   and name HB% )
 OR {  475}
   (( segid "    " and resid 41   and name HB3 ))
   (  segid "    " and resid 48   and name HB% )
 OR {  475}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 15   and name HB2 ))
 OR {  475}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 15   and name HB2 ))
 OR {  475}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 15   and name HG3 ))
 OR {  475}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 15   and name HG3 ))
 OR {  475}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 56   and name HG2 ))
 OR {  475}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 56   and name HG2 ))
 OR {  475}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 25   and name HG2 ))
 OR {  475}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 25   and name HG2 ))
 OR {  475}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 23   and name HB2 ))
 OR {  475}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 23   and name HB2 ))
 OR {  475}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 23   and name HG  ))
 OR {  475}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 23   and name HG  ))
 OR {  475}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 22   and name HG  ))
 OR {  475}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 21   and name HG2 ))
 OR {  475}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 22   and name HG  ))
 OR {  475}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 61   and name HB2 ))
 OR {  475}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 21   and name HG2 ))
 OR {  475}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 61   and name HB2 ))
 OR {  475}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 71   and name HG3 ))
 OR {  475}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 71   and name HG3 ))
 OR {  475}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 72   and name HB2 ))
 OR {  475}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 72   and name HB2 ))
 OR {  475}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 72   and name HG  ))
 OR {  475}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 72   and name HG  ))
 OR {  475}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 78   and name HG2 ))
 OR {  475}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 78   and name HG2 ))
 OR {  475}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 78   and name HG3 ))
 OR {  475}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 78   and name HG3 ))
 OR {  475}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 79   and name HG  ))
 OR {  475}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 79   and name HB2 ))
 OR {  475}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 79   and name HG  ))
 OR {  475}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 79   and name HB2 ))
 OR {  475}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 86   and name HG2 ))
 OR {  475}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 86   and name HG2 ))
 OR {  475}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 86   and name HG3 ))
 OR {  475}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 86   and name HG3 ))
 ASSI {  476}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 40   and name HD2%)
      2.400     0.700     0.700 peak   476 spectrum    1 weight  0.10000E+01 volume  0.68017E-02 ppm1      4.411 ppm2      0.752 CV     1
 OR {  476}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  476}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  476}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  476}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  476}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  476}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  476}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  476}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  476}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  476}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  476}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  476}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  476}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  476}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  476}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  476}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  476}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  476}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  477}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name H   ))
      2.900     1.100     1.100 peak   477 spectrum    1 weight  0.10000E+01 volume  0.14547E-02 ppm1      4.418 ppm2      7.063 CV     1
 OR {  477}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 39   and name HD2 ))
 OR {  477}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 43   and name HZ  ))
 OR {  477}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 14   and name HD% )
 OR {  477}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 50   and name HE  ))
 OR {  477}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 32   and name HE22))
 OR {  477}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 15   and name HE  ))
 OR {  477}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 55   and name HD2 ))
 OR {  477}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 58   and name HD22))
 OR {  477}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 65   and name HE% )
 OR {  477}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 64   and name HE3 ))
 OR {  477}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 67   and name HD2 ))
 OR {  477}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 73   and name HD2 ))
 OR {  477}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 81   and name HD% )
 ASSI {  478}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 32   and name HE21))
      2.500     0.800     0.800 peak   478 spectrum    1 weight  0.10000E+01 volume  0.76069E-03 ppm1      1.211 ppm2      7.888 CV     1
 OR {  478}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 21   and name H   ))
 OR {  478}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 63   and name H   ))
 OR {  478}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 67   and name H   ))
 OR {  478}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 68   and name H   ))
 OR {  478}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 88   and name H   ))
 ASSI {  479}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 40   and name H   ))
      4.100     2.100     1.900 peak   479 spectrum    1 weight  0.10000E+01 volume  0.12215E-02 ppm1      1.205 ppm2      7.045 CV     1
 OR {  479}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 39   and name HD2 ))
 OR {  479}
   (( segid "    " and resid 40   and name HB3 ))
   (  segid "    " and resid 14   and name HD% )
 OR {  479}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 43   and name HZ  ))
 OR {  479}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 50   and name HE  ))
 OR {  479}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 32   and name HE22))
 OR {  479}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 15   and name HE  ))
 OR {  479}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 55   and name HD2 ))
 OR {  479}
   (( segid "    " and resid 40   and name HB3 ))
   (  segid "    " and resid 65   and name HE% )
 OR {  479}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 64   and name HE3 ))
 OR {  479}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 67   and name HD2 ))
 OR {  479}
   (( segid "    " and resid 40   and name HB3 ))
   (  segid "    " and resid 81   and name HD% )
 ASSI {  480}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name H   ))
      3.600     1.600     1.600 peak   480 spectrum    1 weight  0.10000E+01 volume  0.12493E-02 ppm1      1.406 ppm2      7.040 CV     1
 OR {  480}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 39   and name HD2 ))
 OR {  480}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 14   and name HD% )
 OR {  480}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 43   and name HZ  ))
 OR {  480}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 50   and name HE  ))
 OR {  480}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 15   and name HE  ))
 OR {  480}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 32   and name HE22))
 OR {  480}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 55   and name HD2 ))
 OR {  480}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 65   and name HE% )
 OR {  480}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 64   and name HE3 ))
 OR {  480}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 67   and name HD2 ))
 OR {  480}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 81   and name HD% )
 ASSI {  481}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 40   and name HD1%)
      2.700     0.900     0.900 peak   481 spectrum    1 weight  0.10000E+01 volume  0.67573E-02 ppm1      1.404 ppm2      0.761 CV     1
 OR {  481}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  481}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  481}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 52   and name HG13))
 OR {  481}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  481}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  481}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  481}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  481}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  481}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  481}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  481}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  481}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  481}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  481}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  481}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  481}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  481}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  481}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  481}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  481}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  482}
   (( segid "    " and resid 40   and name HB3 ))
   (  segid "    " and resid 40   and name HD1%)
      2.500     0.800     0.800 peak   482 spectrum    1 weight  0.10000E+01 volume  0.60245E-02 ppm1      1.199 ppm2      0.754 CV     1
 OR {  482}
   (( segid "    " and resid 40   and name HB3 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  482}
   (( segid "    " and resid 40   and name HB3 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  482}
   (( segid "    " and resid 40   and name HB3 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  482}
   (( segid "    " and resid 40   and name HB3 ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  482}
   (( segid "    " and resid 40   and name HB3 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  482}
   (( segid "    " and resid 40   and name HB3 ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  482}
   (( segid "    " and resid 40   and name HB3 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  482}
   (( segid "    " and resid 40   and name HB3 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  482}
   (( segid "    " and resid 40   and name HB3 ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  482}
   (( segid "    " and resid 40   and name HB3 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  482}
   (( segid "    " and resid 40   and name HB3 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  482}
   (( segid "    " and resid 40   and name HB3 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  482}
   (( segid "    " and resid 40   and name HB3 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  482}
   (( segid "    " and resid 40   and name HB3 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  482}
   (( segid "    " and resid 40   and name HB3 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  482}
   (( segid "    " and resid 40   and name HB3 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  482}
   (( segid "    " and resid 40   and name HB3 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  482}
   (( segid "    " and resid 40   and name HB3 ))
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  483}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 77   and name HB3 ))
      2.700     0.900     0.900 peak   483 spectrum    1 weight  0.10000E+01 volume  0.13437E-02 ppm1      0.732 ppm2      2.154 CV     1
 OR {  483}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 5    and name HB2 ))
 OR {  483}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 26   and name HB  ))
 OR {  483}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 17   and name HB2 ))
 OR {  483}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 54   and name HB  ))
 OR {  483}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 28   and name HG3 ))
 OR {  483}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 30   and name HG3 ))
 OR {  483}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 28   and name HG3 ))
 OR {  483}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 32   and name HG3 ))
 OR {  483}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 30   and name HB3 ))
 OR {  483}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 30   and name HG3 ))
 OR {  483}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 30   and name HB3 ))
 OR {  483}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 17   and name HB2 ))
 OR {  483}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 5    and name HB2 ))
 OR {  483}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 32   and name HG3 ))
 OR {  483}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 26   and name HB  ))
 OR {  483}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 69   and name HG3 ))
 OR {  483}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 69   and name HG2 ))
 OR {  483}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 54   and name HB  ))
 OR {  483}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 66   and name HG2 ))
 OR {  483}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 66   and name HG2 ))
 OR {  483}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 69   and name HG2 ))
 OR {  483}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 69   and name HG3 ))
 OR {  483}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 66   and name HG2 ))
 OR {  483}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 54   and name HB  ))
 OR {  483}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 77   and name HB3 ))
 OR {  483}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 69   and name HG2 ))
 OR {  483}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 69   and name HG3 ))
 OR {  483}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 32   and name HG3 ))
 OR {  483}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 5    and name HB2 ))
 OR {  483}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 30   and name HB3 ))
 OR {  483}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 30   and name HG3 ))
 OR {  483}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 28   and name HG3 ))
 OR {  483}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 17   and name HB2 ))
 OR {  483}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 26   and name HB  ))
 OR {  483}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 77   and name HB3 ))
 ASSI {  485}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 20   and name HB3 ))
      2.300     0.700     0.700 peak   485 spectrum    1 weight  0.10000E+01 volume  0.10328E-02 ppm1      0.735 ppm2      2.604 CV     1
 OR {  485}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 20   and name HB2 ))
 OR {  485}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 35   and name HB2 ))
 OR {  485}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 35   and name HB3 ))
 OR {  485}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 37   and name HB2 ))
 OR {  485}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 9    and name HB2 ))
 OR {  485}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 43   and name HB2 ))
 OR {  485}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 43   and name HB3 ))
 OR {  485}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 10   and name HB3 ))
 OR {  485}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 53   and name HB2 ))
 OR {  485}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 80   and name HB2 ))
 OR {  485}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 87   and name HG2 ))
 ASSI {  486}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 21   and name HE3 ))
      2.100     0.500     0.500 peak   486 spectrum    1 weight  0.10000E+01 volume  0.24986E-02 ppm1      0.737 ppm2      2.916 CV     1
 OR {  486}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 21   and name HE2 ))
 OR {  486}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 25   and name HE3 ))
 OR {  486}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 25   and name HE2 ))
 OR {  486}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 16   and name HE2 ))
 OR {  486}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 16   and name HE3 ))
 OR {  486}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 38   and name HB2 ))
 OR {  486}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 9    and name HB3 ))
 OR {  486}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 71   and name HE2 ))
 OR {  486}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 71   and name HE3 ))
 OR {  486}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 78   and name HE3 ))
 OR {  486}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 78   and name HE2 ))
 OR {  486}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 81   and name HB3 ))
 OR {  486}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 86   and name HE2 ))
 OR {  486}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 86   and name HE3 ))
 ASSI {  487}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 21   and name HA  ))
      3.700     1.700     1.700 peak   487 spectrum    1 weight  0.10000E+01 volume  0.14492E-02 ppm1      0.740 ppm2      3.833 CV     1
 OR {  487}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 19   and name HB3 ))
 OR {  487}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 6    and name HB2 ))
 OR {  487}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 82   and name HA2 ))
 OR {  487}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 82   and name HA3 ))
 OR {  487}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 6    and name HB3 ))
 OR {  487}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 34   and name HA  ))
 OR {  487}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 4    and name HD3 ))
 OR {  487}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 4    and name HD3 ))
 OR {  487}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 34   and name HA  ))
 OR {  487}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 6    and name HB3 ))
 OR {  487}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 6    and name HB2 ))
 OR {  487}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 19   and name HB3 ))
 OR {  487}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 21   and name HA  ))
 OR {  487}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 82   and name HA2 ))
 OR {  487}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 82   and name HA3 ))
 OR {  487}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 6    and name HB2 ))
 OR {  487}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 34   and name HA  ))
 OR {  487}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 6    and name HB3 ))
 OR {  487}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 4    and name HD3 ))
 OR {  487}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 19   and name HB3 ))
 OR {  487}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 21   and name HA  ))
 OR {  487}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 34   and name HA  ))
 OR {  487}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 82   and name HA2 ))
 OR {  487}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 6    and name HB2 ))
 OR {  487}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 82   and name HA3 ))
 OR {  487}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 6    and name HB3 ))
 OR {  487}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 4    and name HD3 ))
 OR {  487}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 19   and name HB3 ))
 OR {  487}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 21   and name HA  ))
 OR {  487}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 82   and name HA2 ))
 OR {  487}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 82   and name HA3 ))
 ASSI {  488}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 80   and name HA  ))
      3.300     1.400     1.400 peak   488 spectrum    1 weight  0.10000E+01 volume  0.12549E-02 ppm1      0.724 ppm2      4.615 CV     1
 OR {  488}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 39   and name HA  ))
 OR {  488}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 41   and name HA  ))
 OR {  488}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 38   and name HA  ))
 OR {  488}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 35   and name HA  ))
 OR {  488}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 45   and name HA  ))
 OR {  488}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 4    and name HA  ))
 OR {  488}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 28   and name HA  ))
 OR {  488}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 50   and name HA  ))
 OR {  488}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 28   and name HA  ))
 OR {  488}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 4    and name HA  ))
 OR {  488}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 73   and name HA  ))
 OR {  488}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 35   and name HA  ))
 OR {  488}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 38   and name HA  ))
 OR {  488}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 39   and name HA  ))
 OR {  488}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 41   and name HA  ))
 OR {  488}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 45   and name HA  ))
 OR {  488}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 50   and name HA  ))
 OR {  488}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 73   and name HA  ))
 OR {  488}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 50   and name HA  ))
 OR {  488}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 45   and name HA  ))
 OR {  488}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 41   and name HA  ))
 OR {  488}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 80   and name HA  ))
 OR {  488}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 38   and name HA  ))
 OR {  488}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 39   and name HA  ))
 OR {  488}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 35   and name HA  ))
 OR {  488}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 73   and name HA  ))
 OR {  488}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 4    and name HA  ))
 OR {  488}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 28   and name HA  ))
 OR {  488}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 80   and name HA  ))
 ASSI {  489}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 41   and name HG2 ))
      3.400     1.400     1.400 peak   489 spectrum    1 weight  0.10000E+01 volume  0.22266E-02 ppm1      0.785 ppm2      2.266 CV     1
 OR {  489}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 12   and name HG2 ))
 OR {  489}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 12   and name HG3 ))
 OR {  489}
   (  segid "    " and resid 2    and name HD2%)
   (( segid "    " and resid 4    and name HB3 ))
 OR {  489}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 5    and name HB2 ))
 OR {  489}
   (  segid "    " and resid 2    and name HD2%)
   (( segid "    " and resid 5    and name HB2 ))
 OR {  489}
   (  segid "    " and resid 2    and name HD2%)
   (( segid "    " and resid 28   and name HG2 ))
 OR {  489}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 54   and name HB  ))
 OR {  489}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 4    and name HB3 ))
 OR {  489}
   (  segid "    " and resid 2    and name HD2%)
   (( segid "    " and resid 30   and name HG2 ))
 OR {  489}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 33   and name HG2 ))
 OR {  489}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 32   and name HG2 ))
 OR {  489}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 28   and name HG2 ))
 OR {  489}
   (  segid "    " and resid 2    and name HD2%)
   (( segid "    " and resid 12   and name HG3 ))
 OR {  489}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 30   and name HG2 ))
 OR {  489}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 49   and name HB2 ))
 OR {  489}
   (  segid "    " and resid 2    and name HD2%)
   (( segid "    " and resid 12   and name HG2 ))
 OR {  489}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 49   and name HG3 ))
 OR {  489}
   (  segid "    " and resid 2    and name HD2%)
   (( segid "    " and resid 32   and name HG2 ))
 OR {  489}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 49   and name HG2 ))
 OR {  489}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 56   and name HD3 ))
 OR {  489}
   (  segid "    " and resid 2    and name HD2%)
   (( segid "    " and resid 33   and name HG2 ))
 OR {  489}
   (  segid "    " and resid 2    and name HD2%)
   (( segid "    " and resid 41   and name HG2 ))
 OR {  489}
   (  segid "    " and resid 2    and name HD2%)
   (( segid "    " and resid 54   and name HB  ))
 OR {  489}
   (  segid "    " and resid 2    and name HD2%)
   (( segid "    " and resid 49   and name HB2 ))
 OR {  489}
   (  segid "    " and resid 2    and name HD2%)
   (( segid "    " and resid 49   and name HG3 ))
 OR {  489}
   (  segid "    " and resid 2    and name HD2%)
   (( segid "    " and resid 49   and name HG2 ))
 OR {  489}
   (  segid "    " and resid 2    and name HD2%)
   (( segid "    " and resid 56   and name HD3 ))
 OR {  489}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 63   and name HG3 ))
 OR {  489}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 63   and name HG2 ))
 OR {  489}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 66   and name HG3 ))
 OR {  489}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 69   and name HG3 ))
 OR {  489}
   (  segid "    " and resid 2    and name HD2%)
   (( segid "    " and resid 63   and name HG3 ))
 OR {  489}
   (  segid "    " and resid 2    and name HD2%)
   (( segid "    " and resid 63   and name HG2 ))
 OR {  489}
   (  segid "    " and resid 2    and name HD2%)
   (( segid "    " and resid 66   and name HG3 ))
 OR {  489}
   (  segid "    " and resid 2    and name HD2%)
   (( segid "    " and resid 69   and name HG3 ))
 ASSI {  490}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 21   and name HE3 ))
      3.700     1.700     1.700 peak   490 spectrum    1 weight  0.10000E+01 volume  0.16491E-02 ppm1      0.790 ppm2      2.911 CV     1
 OR {  490}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 71   and name HE2 ))
 OR {  490}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 21   and name HE2 ))
 OR {  490}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 71   and name HE3 ))
 OR {  490}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 86   and name HE2 ))
 OR {  490}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 86   and name HE3 ))
 OR {  490}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 78   and name HE2 ))
 OR {  490}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 78   and name HE3 ))
 OR {  490}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 25   and name HE3 ))
 OR {  490}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 25   and name HE2 ))
 OR {  490}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 16   and name HE2 ))
 OR {  490}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 16   and name HE3 ))
 OR {  490}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 81   and name HB3 ))
 OR {  490}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 81   and name HB3 ))
 OR {  490}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 71   and name HE2 ))
 OR {  490}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 71   and name HE3 ))
 OR {  490}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 78   and name HE2 ))
 OR {  490}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 78   and name HE3 ))
 OR {  490}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 78   and name HE3 ))
 OR {  490}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 78   and name HE2 ))
 OR {  490}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 81   and name HB3 ))
 OR {  490}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 38   and name HB2 ))
 OR {  490}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 9    and name HB3 ))
 OR {  490}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 86   and name HE2 ))
 OR {  490}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 86   and name HE3 ))
 OR {  490}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 71   and name HE2 ))
 OR {  490}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 71   and name HE3 ))
 OR {  490}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 86   and name HE2 ))
 OR {  490}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 86   and name HE3 ))
 OR {  490}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 55   and name HB2 ))
 OR {  490}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 55   and name HB2 ))
 OR {  490}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 55   and name HB2 ))
 OR {  490}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 9    and name HB3 ))
 OR {  490}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 38   and name HB2 ))
 OR {  490}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 9    and name HB3 ))
 OR {  490}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 38   and name HB2 ))
 OR {  490}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 16   and name HE3 ))
 OR {  490}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 16   and name HE2 ))
 OR {  490}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 25   and name HE2 ))
 OR {  490}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 55   and name HB2 ))
 OR {  490}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 25   and name HE3 ))
 OR {  490}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 71   and name HE2 ))
 OR {  490}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 71   and name HE3 ))
 OR {  490}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 16   and name HE3 ))
 OR {  490}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 16   and name HE2 ))
 OR {  490}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 21   and name HE3 ))
 OR {  490}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 21   and name HE2 ))
 OR {  490}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 25   and name HE2 ))
 OR {  490}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 25   and name HE3 ))
 OR {  490}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 9    and name HB3 ))
 OR {  490}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 38   and name HB2 ))
 OR {  490}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 21   and name HE3 ))
 OR {  490}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 21   and name HE2 ))
 OR {  490}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 78   and name HE3 ))
 OR {  490}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 78   and name HE2 ))
 OR {  490}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 16   and name HE3 ))
 OR {  490}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 16   and name HE2 ))
 OR {  490}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 81   and name HB3 ))
 OR {  490}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 25   and name HE2 ))
 OR {  490}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 25   and name HE3 ))
 OR {  490}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 21   and name HE3 ))
 OR {  490}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 21   and name HE2 ))
 OR {  490}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 86   and name HE2 ))
 OR {  490}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 86   and name HE3 ))
 ASSI {  491}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 76   and name HA  ))
      2.000     0.500     0.500 peak   491 spectrum    1 weight  0.10000E+01 volume  0.17263E-01 ppm1      0.784 ppm2      4.533 CV     1
 OR {  491}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 17   and name HA  ))
 OR {  491}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 3    and name HA  ))
 OR {  491}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 4    and name HA  ))
 OR {  491}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 87   and name HA  ))
 OR {  491}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 73   and name HA  ))
 OR {  491}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 14   and name HA  ))
 OR {  491}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 31   and name HA  ))
 OR {  491}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 32   and name HA  ))
 OR {  491}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 12   and name HA  ))
 OR {  491}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 9    and name HA  ))
 OR {  491}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 10   and name HA  ))
 OR {  491}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 76   and name HA  ))
 OR {  491}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 44   and name HA  ))
 OR {  491}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 52   and name HA  ))
 OR {  491}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 45   and name HA  ))
 OR {  491}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 87   and name HA  ))
 OR {  491}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 73   and name HA  ))
 OR {  491}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 57   and name HA  ))
 OR {  491}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 57   and name HA  ))
 OR {  491}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 52   and name HA  ))
 OR {  491}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 45   and name HA  ))
 OR {  491}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 44   and name HA  ))
 OR {  491}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 10   and name HA  ))
 OR {  491}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 9    and name HA  ))
 OR {  491}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 57   and name HA  ))
 OR {  491}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 12   and name HA  ))
 OR {  491}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 14   and name HA  ))
 OR {  491}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 73   and name HA  ))
 OR {  491}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 32   and name HA  ))
 OR {  491}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 31   and name HA  ))
 OR {  491}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 4    and name HA  ))
 OR {  491}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 45   and name HA  ))
 OR {  491}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 52   and name HA  ))
 OR {  491}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 3    and name HA  ))
 OR {  491}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 17   and name HA  ))
 OR {  491}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 44   and name HA  ))
 OR {  491}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 76   and name HA  ))
 OR {  491}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 10   and name HA  ))
 OR {  491}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 9    and name HA  ))
 OR {  491}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 12   and name HA  ))
 OR {  491}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 14   and name HA  ))
 OR {  491}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 32   and name HA  ))
 OR {  491}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 31   and name HA  ))
 OR {  491}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 4    and name HA  ))
 OR {  491}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 3    and name HA  ))
 OR {  491}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 17   and name HA  ))
 OR {  491}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 87   and name HA  ))
 ASSI {  492}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 2    and name HA  ))
      2.700     0.900     0.900 peak   492 spectrum    1 weight  0.10000E+01 volume  0.45975E-02 ppm1      0.849 ppm2      4.361 CV     1
 OR {  492}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 25   and name HA  ))
 OR {  492}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 16   and name HA  ))
 OR {  492}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 19   and name HA  ))
 OR {  492}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 15   and name HA  ))
 OR {  492}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 5    and name HA  ))
 OR {  492}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 19   and name HA  ))
 OR {  492}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 16   and name HA  ))
 OR {  492}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 25   and name HA  ))
 OR {  492}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 2    and name HA  ))
 OR {  492}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 15   and name HA  ))
 OR {  492}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 5    and name HA  ))
 OR {  492}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 6    and name HA  ))
 OR {  492}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 6    and name HA  ))
 OR {  492}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 13   and name HA  ))
 OR {  492}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 33   and name HA  ))
 OR {  492}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 13   and name HA  ))
 OR {  492}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 33   and name HA  ))
 OR {  492}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 8    and name HA  ))
 OR {  492}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 8    and name HA  ))
 OR {  492}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 40   and name HA  ))
 OR {  492}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 11   and name HA  ))
 OR {  492}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 40   and name HA  ))
 OR {  492}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 42   and name HA  ))
 OR {  492}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 11   and name HA  ))
 OR {  492}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 42   and name HA  ))
 OR {  492}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 55   and name HA  ))
 OR {  492}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 55   and name HA  ))
 OR {  492}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 56   and name HA  ))
 OR {  492}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 56   and name HA  ))
 OR {  492}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 59   and name HA  ))
 OR {  492}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 59   and name HA  ))
 OR {  492}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 60   and name HA  ))
 OR {  492}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 60   and name HA  ))
 OR {  492}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 75   and name HA  ))
 OR {  492}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
 OR {  492}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 77   and name HA  ))
 OR {  492}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 77   and name HA  ))
 OR {  492}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 83   and name HA  ))
 OR {  492}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 83   and name HA  ))
 ASSI {  493}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 41   and name H   ))
      4.400     2.400     1.600 peak   493 spectrum    1 weight  0.10000E+01 volume  0.12049E-02 ppm1      0.785 ppm2      8.527 CV     1
 OR {  493}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 13   and name H   ))
 OR {  493}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 37   and name H   ))
 OR {  493}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 51   and name H   ))
 ASSI {  494}
   (( segid "    " and resid 37   and name HB3 ))
   (( segid "    " and resid 36   and name HA2 ))
      3.600     1.600     1.600 peak   494 spectrum    1 weight  0.10000E+01 volume  0.84952E-03 ppm1      2.463 ppm2      3.776 CV     1
 OR {  494}
   (( segid "    " and resid 37   and name HB3 ))
   (( segid "    " and resid 6    and name HB2 ))
 OR {  494}
   (( segid "    " and resid 37   and name HB3 ))
   (( segid "    " and resid 6    and name HB3 ))
 OR {  494}
   (( segid "    " and resid 37   and name HB3 ))
   (( segid "    " and resid 34   and name HA  ))
 OR {  494}
   (( segid "    " and resid 37   and name HB3 ))
   (( segid "    " and resid 4    and name HD3 ))
 OR {  494}
   (( segid "    " and resid 37   and name HB3 ))
   (( segid "    " and resid 19   and name HB3 ))
 OR {  494}
   (( segid "    " and resid 37   and name HB3 ))
   (( segid "    " and resid 21   and name HA  ))
 OR {  494}
   (( segid "    " and resid 37   and name HB3 ))
   (( segid "    " and resid 77   and name HD3 ))
 OR {  494}
   (( segid "    " and resid 37   and name HB3 ))
   (( segid "    " and resid 82   and name HA2 ))
 OR {  494}
   (( segid "    " and resid 37   and name HB3 ))
   (( segid "    " and resid 82   and name HA3 ))
 ASSI {  495}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 40   and name HA  ))
      3.600     1.600     1.600 peak   495 spectrum    1 weight  0.10000E+01 volume  0.14270E-02 ppm1      2.620 ppm2      4.475 CV     1
 OR {  495}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 12   and name HA  ))
 OR {  495}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 9    and name HA  ))
 OR {  495}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 14   and name HA  ))
 OR {  495}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 31   and name HA  ))
 OR {  495}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 10   and name HA  ))
 OR {  495}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 3    and name HA  ))
 OR {  495}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 32   and name HA  ))
 OR {  495}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 17   and name HA  ))
 OR {  495}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 44   and name HA  ))
 OR {  495}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 18   and name HA  ))
 OR {  495}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 52   and name HA  ))
 OR {  495}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 49   and name HA  ))
 OR {  495}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 57   and name HA  ))
 OR {  495}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 59   and name HA  ))
 OR {  495}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 67   and name HA  ))
 OR {  495}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 76   and name HA  ))
 OR {  495}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 81   and name HA  ))
 OR {  495}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 87   and name HA  ))
 ASSI {  496}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB2 ))
      2.600     0.800     0.800 peak   496 spectrum    1 weight  0.10000E+01 volume  0.78290E-02 ppm1      4.627 ppm2      2.569 CV     1
 OR {  496}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 37   and name HB2 ))
 OR {  496}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 43   and name HB2 ))
 OR {  496}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 9    and name HB2 ))
 OR {  496}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 43   and name HB3 ))
 OR {  496}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 10   and name HB3 ))
 OR {  496}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 20   and name HB2 ))
 OR {  496}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 20   and name HB3 ))
 OR {  496}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 80   and name HB2 ))
 OR {  496}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 83   and name HG2 ))
 OR {  496}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 87   and name HG2 ))
 ASSI {  497}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB3 ))
      2.300     0.700     0.700 peak   497 spectrum    1 weight  0.10000E+01 volume  0.96335E-02 ppm1      4.628 ppm2      2.631 CV     1
 OR {  497}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 37   and name HB2 ))
 OR {  497}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 43   and name HB2 ))
 OR {  497}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 9    and name HB2 ))
 OR {  497}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 43   and name HB3 ))
 OR {  497}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 53   and name HB2 ))
 OR {  497}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 20   and name HB2 ))
 OR {  497}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 20   and name HB3 ))
 OR {  497}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 80   and name HB2 ))
 ASSI {  498}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 31   and name HG  ))
      3.400     1.400     1.400 peak   498 spectrum    1 weight  0.10000E+01 volume  0.13270E-02 ppm1      2.537 ppm2      1.071 CV     1
 OR {  498}
   (( segid "    " and resid 10   and name HB3 ))
   (  segid "    " and resid 11   and name HG2%)
 OR {  498}
   (( segid "    " and resid 10   and name HB3 ))
   (  segid "    " and resid 42   and name HB% )
 OR {  498}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 11   and name HG2%)
 OR {  498}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 42   and name HB% )
 OR {  498}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 13   and name HB2 ))
 OR {  498}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 13   and name HB2 ))
 OR {  498}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 27   and name HG13))
 OR {  498}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 31   and name HG  ))
 OR {  498}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 27   and name HG13))
 OR {  498}
   (( segid "    " and resid 10   and name HB3 ))
   (  segid "    " and resid 75   and name HG2%)
 OR {  498}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 75   and name HG2%)
 ASSI {  499}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 31   and name HB3 ))
      3.200     1.300     1.300 peak   499 spectrum    1 weight  0.10000E+01 volume  0.94948E-03 ppm1      2.662 ppm2      1.198 CV     1
 OR {  499}
   (( segid "    " and resid 35   and name HB3 ))
   (  segid "    " and resid 34   and name HB% )
 OR {  499}
   (( segid "    " and resid 35   and name HB3 ))
   (  segid "    " and resid 7    and name HG2%)
 OR {  499}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 31   and name HG  ))
 OR {  499}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 16   and name HB3 ))
 OR {  499}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 16   and name HG3 ))
 OR {  499}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 40   and name HB3 ))
 OR {  499}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 16   and name HG2 ))
 OR {  499}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 52   and name HG12))
 OR {  499}
   (( segid "    " and resid 35   and name HB3 ))
   (  segid "    " and resid 54   and name HG2%)
 OR {  499}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 54   and name HG12))
 OR {  499}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 50   and name HG3 ))
 OR {  499}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 54   and name HG13))
 OR {  499}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 61   and name HG  ))
 OR {  499}
   (( segid "    " and resid 35   and name HB3 ))
   (  segid "    " and resid 75   and name HG2%)
 OR {  499}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 79   and name HB3 ))
 ASSI {  500}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 31   and name HB3 ))
      3.300     1.300     1.300 peak   500 spectrum    1 weight  0.10000E+01 volume  0.86618E-03 ppm1      2.555 ppm2      1.210 CV     1
 OR {  500}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 34   and name HB% )
 OR {  500}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 52   and name HG12))
 OR {  500}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 7    and name HG2%)
 OR {  500}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 40   and name HB3 ))
 OR {  500}
   (( segid "    " and resid 10   and name HB3 ))
   (  segid "    " and resid 54   and name HG2%)
 OR {  500}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 40   and name HG  ))
 OR {  500}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 16   and name HG3 ))
 OR {  500}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 16   and name HB3 ))
 OR {  500}
   (( segid "    " and resid 10   and name HB3 ))
   (  segid "    " and resid 7    and name HG2%)
 OR {  500}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 54   and name HG12))
 OR {  500}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 54   and name HG13))
 OR {  500}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 16   and name HG2 ))
 OR {  500}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 40   and name HG  ))
 OR {  500}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 50   and name HG3 ))
 OR {  500}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 40   and name HB3 ))
 OR {  500}
   (( segid "    " and resid 10   and name HB3 ))
   (  segid "    " and resid 34   and name HB% )
 OR {  500}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 52   and name HG12))
 OR {  500}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 31   and name HB3 ))
 OR {  500}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 18   and name HB3 ))
 OR {  500}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 54   and name HG2%)
 OR {  500}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 16   and name HB3 ))
 OR {  500}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 16   and name HG3 ))
 OR {  500}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 50   and name HG3 ))
 OR {  500}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 16   and name HG2 ))
 OR {  500}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 54   and name HG12))
 OR {  500}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 54   and name HG13))
 OR {  500}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 18   and name HB3 ))
 OR {  500}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 61   and name HG  ))
 OR {  500}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 61   and name HG  ))
 OR {  500}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 79   and name HB3 ))
 OR {  500}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 79   and name HB3 ))
 ASSI {  501}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 34   and name HA  ))
      4.800     2.800     1.200 peak   501 spectrum    1 weight  0.10000E+01 volume  0.83287E-03 ppm1      2.553 ppm2      3.796 CV     1
 OR {  501}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 36   and name HA2 ))
 OR {  501}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 6    and name HB3 ))
 OR {  501}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 6    and name HB2 ))
 OR {  501}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 4    and name HD3 ))
 OR {  501}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 6    and name HB2 ))
 OR {  501}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 6    and name HB3 ))
 OR {  501}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 36   and name HA2 ))
 OR {  501}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 34   and name HA  ))
 OR {  501}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 19   and name HB3 ))
 OR {  501}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 4    and name HD3 ))
 OR {  501}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 21   and name HA  ))
 OR {  501}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 19   and name HB3 ))
 OR {  501}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 21   and name HA  ))
 OR {  501}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 77   and name HD3 ))
 OR {  501}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 77   and name HD3 ))
 OR {  501}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 82   and name HA2 ))
 OR {  501}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 82   and name HA3 ))
 OR {  501}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 82   and name HA3 ))
 OR {  501}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 82   and name HA2 ))
 ASSI {  502}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 35   and name HA  ))
      4.000     2.000     2.000 peak   502 spectrum    1 weight  0.10000E+01 volume  0.12382E-02 ppm1      3.834 ppm2      4.628 CV     1
 OR {  502}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 38   and name HA  ))
 OR {  502}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 28   and name HA  ))
 OR {  502}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 4    and name HA  ))
 OR {  502}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 39   and name HA  ))
 OR {  502}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 41   and name HA  ))
 OR {  502}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 45   and name HA  ))
 OR {  502}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 50   and name HA  ))
 OR {  502}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 73   and name HA  ))
 OR {  502}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 80   and name HA  ))
 ASSI {  503}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 33   and name HB3 ))
      4.000     2.000     2.000 peak   503 spectrum    1 weight  0.10000E+01 volume  0.11438E-02 ppm1      1.195 ppm2      1.610 CV     1
 OR {  503}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 31   and name HB2 ))
 OR {  503}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 16   and name HD2 ))
 OR {  503}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 13   and name HG  ))
 OR {  503}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 25   and name HG3 ))
 OR {  503}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 45   and name HB3 ))
 OR {  503}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 25   and name HD2 ))
 OR {  503}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 45   and name HG  ))
 OR {  503}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 3    and name HG  ))
 OR {  503}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 22   and name HB3 ))
 OR {  503}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 22   and name HB2 ))
 OR {  503}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 21   and name HB3 ))
 OR {  503}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 21   and name HB2 ))
 OR {  503}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 21   and name HD2 ))
 OR {  503}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 21   and name HD3 ))
 OR {  503}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 68   and name HB3 ))
 OR {  503}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 70   and name HG2 ))
 OR {  503}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 71   and name HB2 ))
 OR {  503}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 71   and name HD2 ))
 OR {  503}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 71   and name HD3 ))
 OR {  503}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 76   and name HB2 ))
 OR {  503}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 76   and name HG  ))
 OR {  503}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 78   and name HB3 ))
 OR {  503}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 78   and name HD2 ))
 OR {  503}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 78   and name HD3 ))
 OR {  503}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 84   and name HB3 ))
 OR {  503}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 86   and name HD3 ))
 OR {  503}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 86   and name HD2 ))
 ASSI {  504}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 33   and name HG3 ))
      2.200     0.600     0.600 peak   504 spectrum    1 weight  0.10000E+01 volume  0.16546E-02 ppm1      1.194 ppm2      2.049 CV     1
 OR {  504}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 33   and name HB2 ))
 OR {  504}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 28   and name HB2 ))
 OR {  504}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 12   and name HB3 ))
 OR {  504}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 25   and name HB3 ))
 OR {  504}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 17   and name HG3 ))
 OR {  504}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 4    and name HG2 ))
 OR {  504}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 56   and name HB2 ))
 OR {  504}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 59   and name HG3 ))
 OR {  504}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 59   and name HG2 ))
 OR {  504}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 59   and name HB2 ))
 OR {  504}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 63   and name HB3 ))
 OR {  504}
   (  segid "    " and resid 34   and name HB% )
   (  segid "    " and resid 83   and name HE% )
 OR {  504}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 83   and name HB3 ))
 OR {  504}
   (  segid "    " and resid 34   and name HB% )
   (  segid "    " and resid 87   and name HE% )
 OR {  504}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 87   and name HB2 ))
 ASSI {  505}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 33   and name HA  ))
      3.900     1.900     1.900 peak   505 spectrum    1 weight  0.10000E+01 volume  0.36646E-02 ppm1      1.194 ppm2      4.366 CV     1
 OR {  505}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 13   and name HA  ))
 OR {  505}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 15   and name HA  ))
 OR {  505}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 6    and name HA  ))
 OR {  505}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 42   and name HA  ))
 OR {  505}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 16   and name HA  ))
 OR {  505}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 11   and name HA  ))
 OR {  505}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 5    and name HA  ))
 OR {  505}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 40   and name HA  ))
 OR {  505}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 25   and name HA  ))
 OR {  505}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 2    and name HA  ))
 OR {  505}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 19   and name HA  ))
 OR {  505}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 55   and name HA  ))
 OR {  505}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 56   and name HA  ))
 OR {  505}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 59   and name HA  ))
 OR {  505}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 60   and name HA  ))
 OR {  505}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 75   and name HA  ))
 OR {  505}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 77   and name HA  ))
 OR {  505}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 81   and name HA  ))
 OR {  505}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 83   and name HA  ))
 ASSI {  506}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 35   and name HA  ))
      3.000     1.200     1.200 peak   506 spectrum    1 weight  0.10000E+01 volume  0.35980E-02 ppm1      1.194 ppm2      4.622 CV     1
 OR {  506}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 38   and name HA  ))
 OR {  506}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 28   and name HA  ))
 OR {  506}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 39   and name HA  ))
 OR {  506}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 4    and name HA  ))
 OR {  506}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 41   and name HA  ))
 OR {  506}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 45   and name HA  ))
 OR {  506}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 50   and name HA  ))
 OR {  506}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 73   and name HA  ))
 OR {  506}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 80   and name HA  ))
 ASSI {  507}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HD2 ))
      2.200     0.600     0.600 peak   507 spectrum    1 weight  0.10000E+01 volume  0.86563E-02 ppm1      4.338 ppm2      1.600 CV     1
 OR {  507}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {  507}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 22   and name HB3 ))
 OR {  507}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {  507}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {  507}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {  507}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 21   and name HD2 ))
 OR {  507}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 3    and name HG  ))
 OR {  507}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 21   and name HD3 ))
 OR {  507}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
 OR {  507}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 33   and name HB3 ))
 OR {  507}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 13   and name HG  ))
 OR {  507}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 45   and name HB3 ))
 OR {  507}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 45   and name HG  ))
 OR {  507}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 70   and name HG2 ))
 OR {  507}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {  507}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {  507}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 76   and name HB2 ))
 OR {  507}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 76   and name HG  ))
 OR {  507}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 78   and name HD2 ))
 OR {  507}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 78   and name HD3 ))
 OR {  507}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 84   and name HB3 ))
 OR {  507}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 84   and name HG  ))
 OR {  507}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {  507}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 85   and name HG3 ))
 OR {  507}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 86   and name HD3 ))
 OR {  507}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 86   and name HD2 ))
 ASSI {  508}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HG3 ))
      2.200     0.600     0.600 peak   508 spectrum    1 weight  0.10000E+01 volume  0.10461E-01 ppm1      4.341 ppm2      2.034 CV     1
 OR {  508}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HB3 ))
 OR {  508}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB2 ))
 OR {  508}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB3 ))
 OR {  508}
   (( segid "    " and resid 83   and name HA  ))
   (  segid "    " and resid 83   and name HE% )
 OR {  508}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 28   and name HB2 ))
 OR {  508}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 12   and name HB3 ))
 OR {  508}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 17   and name HG3 ))
 OR {  508}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 28   and name HB2 ))
 OR {  508}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 87   and name HB2 ))
 OR {  508}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {  508}
   (( segid "    " and resid 83   and name HA  ))
   (  segid "    " and resid 87   and name HE% )
 OR {  508}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 17   and name HG3 ))
 OR {  508}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {  508}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 25   and name HB3 ))
 OR {  508}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 33   and name HB2 ))
 OR {  508}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 33   and name HG3 ))
 OR {  508}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 12   and name HB3 ))
 OR {  508}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 56   and name HB2 ))
 OR {  508}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 59   and name HG3 ))
 OR {  508}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 59   and name HG2 ))
 OR {  508}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 59   and name HB2 ))
 OR {  508}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 56   and name HB2 ))
 OR {  508}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 69   and name HB3 ))
 OR {  508}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {  508}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 59   and name HG3 ))
 OR {  508}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 59   and name HG2 ))
 OR {  508}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 59   and name HB2 ))
 OR {  508}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 66   and name HB3 ))
 OR {  508}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 66   and name HB3 ))
 OR {  508}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {  508}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {  508}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 69   and name HB3 ))
 OR {  508}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 66   and name HB3 ))
 OR {  508}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 59   and name HB2 ))
 OR {  508}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 59   and name HG2 ))
 OR {  508}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 59   and name HG3 ))
 OR {  508}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 69   and name HB3 ))
 OR {  508}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 56   and name HB2 ))
 OR {  508}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 83   and name HE% )
 OR {  508}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 12   and name HB3 ))
 OR {  508}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 33   and name HG3 ))
 OR {  508}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 83   and name HB3 ))
 OR {  508}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 33   and name HB2 ))
 OR {  508}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 87   and name HE% )
 OR {  508}
   (( segid "    " and resid 25   and name HA  ))
   (  segid "    " and resid 83   and name HE% )
 OR {  508}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 28   and name HB2 ))
 OR {  508}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {  508}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 17   and name HG3 ))
 OR {  508}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 87   and name HB2 ))
 OR {  508}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 25   and name HB3 ))
 OR {  508}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 83   and name HB3 ))
 OR {  508}
   (( segid "    " and resid 25   and name HA  ))
   (  segid "    " and resid 87   and name HE% )
 OR {  508}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 87   and name HB2 ))
 ASSI {  509}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HG2 ))
      3.600     1.600     1.600 peak   509 spectrum    1 weight  0.10000E+01 volume  0.26540E-02 ppm1      4.340 ppm2      2.248 CV     1
 OR {  509}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 32   and name HG2 ))
 OR {  509}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 30   and name HG2 ))
 OR {  509}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 12   and name HG2 ))
 OR {  509}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 12   and name HG3 ))
 OR {  509}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 5    and name HB2 ))
 OR {  509}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 28   and name HG2 ))
 OR {  509}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 4    and name HB3 ))
 OR {  509}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
 OR {  509}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 41   and name HG2 ))
 OR {  509}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 54   and name HB  ))
 OR {  509}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 49   and name HB2 ))
 OR {  509}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 49   and name HG3 ))
 OR {  509}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 49   and name HG2 ))
 OR {  509}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 63   and name HG3 ))
 OR {  509}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 63   and name HG2 ))
 OR {  509}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 66   and name HG3 ))
 OR {  509}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 69   and name HG3 ))
 ASSI {  510}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name H   ))
      2.700     0.900     0.900 peak   510 spectrum    1 weight  0.10000E+01 volume  0.22820E-02 ppm1      4.339 ppm2      8.438 CV     1
 OR {  510}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 82   and name H   ))
 OR {  510}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 37   and name H   ))
 OR {  510}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 38   and name H   ))
 OR {  510}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 87   and name H   ))
 OR {  510}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 43   and name H   ))
 OR {  510}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 41   and name H   ))
 OR {  510}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 18   and name H   ))
 OR {  510}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 2    and name H   ))
 OR {  510}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 49   and name H   ))
 OR {  510}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 55   and name H   ))
 OR {  510}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 55   and name H   ))
 OR {  510}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 49   and name H   ))
 OR {  510}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 43   and name H   ))
 OR {  510}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 41   and name H   ))
 OR {  510}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 82   and name H   ))
 OR {  510}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 38   and name H   ))
 OR {  510}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 37   and name H   ))
 OR {  510}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 33   and name H   ))
 OR {  510}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 87   and name H   ))
 OR {  510}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 18   and name H   ))
 OR {  510}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 2    and name H   ))
 ASSI {  511}
   (( segid "    " and resid 33   and name HG3 ))
   (( segid "    " and resid 32   and name HA  ))
      2.200     0.600     0.600 peak   511 spectrum    1 weight  0.10000E+01 volume  0.13937E-02 ppm1      2.078 ppm2      4.483 CV     1
 OR {  511}
   (( segid "    " and resid 33   and name HG3 ))
   (( segid "    " and resid 31   and name HA  ))
 OR {  511}
   (( segid "    " and resid 33   and name HG3 ))
   (( segid "    " and resid 12   and name HA  ))
 OR {  511}
   (( segid "    " and resid 33   and name HG3 ))
   (( segid "    " and resid 14   and name HA  ))
 OR {  511}
   (( segid "    " and resid 33   and name HG3 ))
   (( segid "    " and resid 9    and name HA  ))
 OR {  511}
   (( segid "    " and resid 33   and name HG3 ))
   (( segid "    " and resid 10   and name HA  ))
 OR {  511}
   (( segid "    " and resid 33   and name HG3 ))
   (( segid "    " and resid 40   and name HA  ))
 OR {  511}
   (( segid "    " and resid 33   and name HG3 ))
   (( segid "    " and resid 52   and name HA  ))
 OR {  511}
   (( segid "    " and resid 33   and name HG3 ))
   (( segid "    " and resid 17   and name HA  ))
 OR {  511}
   (( segid "    " and resid 33   and name HG3 ))
   (( segid "    " and resid 44   and name HA  ))
 OR {  511}
   (( segid "    " and resid 33   and name HG3 ))
   (( segid "    " and resid 18   and name HA  ))
 OR {  511}
   (( segid "    " and resid 33   and name HG3 ))
   (( segid "    " and resid 3    and name HA  ))
 OR {  511}
   (( segid "    " and resid 33   and name HG3 ))
   (( segid "    " and resid 49   and name HA  ))
 OR {  511}
   (( segid "    " and resid 33   and name HG3 ))
   (( segid "    " and resid 57   and name HA  ))
 OR {  511}
   (( segid "    " and resid 33   and name HG3 ))
   (( segid "    " and resid 59   and name HA  ))
 OR {  511}
   (( segid "    " and resid 33   and name HG3 ))
   (( segid "    " and resid 67   and name HA  ))
 OR {  511}
   (( segid "    " and resid 33   and name HG3 ))
   (( segid "    " and resid 76   and name HA  ))
 OR {  511}
   (( segid "    " and resid 33   and name HG3 ))
   (( segid "    " and resid 81   and name HA  ))
 OR {  511}
   (( segid "    " and resid 33   and name HG3 ))
   (( segid "    " and resid 87   and name HA  ))
 ASSI {  512}
   (( segid "    " and resid 33   and name HG3 ))
   (( segid "    " and resid 31   and name HG  ))
      3.800     1.800     1.800 peak   512 spectrum    1 weight  0.10000E+01 volume  0.16158E-02 ppm1      2.068 ppm2      1.145 CV     1
 OR {  512}
   (( segid "    " and resid 33   and name HG3 ))
   (  segid "    " and resid 34   and name HB% )
 OR {  512}
   (( segid "    " and resid 33   and name HG3 ))
   (  segid "    " and resid 11   and name HG2%)
 OR {  512}
   (( segid "    " and resid 33   and name HG3 ))
   (( segid "    " and resid 13   and name HB2 ))
 OR {  512}
   (( segid "    " and resid 33   and name HG3 ))
   (  segid "    " and resid 7    and name HG2%)
 OR {  512}
   (( segid "    " and resid 33   and name HG3 ))
   (( segid "    " and resid 40   and name HB3 ))
 OR {  512}
   (( segid "    " and resid 33   and name HG3 ))
   (  segid "    " and resid 75   and name HG2%)
 ASSI {  513}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 31   and name HD1%)
      4.100     2.100     1.900 peak   513 spectrum    1 weight  0.10000E+01 volume  0.92171E-03 ppm1      2.018 ppm2      0.681 CV     1
 OR {  513}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  513}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  513}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  513}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 52   and name HG2%)
 OR {  513}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 26   and name HG2%)
 OR {  513}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  513}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  513}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  513}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 22   and name HD2%)
 OR {  513}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  513}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  513}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  513}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 79   and name HD1%)
 OR {  513}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 79   and name HD2%)
 ASSI {  514}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 31   and name HG  ))
      3.000     1.100     1.100 peak   514 spectrum    1 weight  0.10000E+01 volume  0.10439E-02 ppm1      2.011 ppm2      1.176 CV     1
 OR {  514}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 31   and name HB3 ))
 OR {  514}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 34   and name HB% )
 OR {  514}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 13   and name HB2 ))
 OR {  514}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 16   and name HG3 ))
 OR {  514}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 7    and name HG2%)
 OR {  514}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 16   and name HB3 ))
 OR {  514}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 16   and name HG2 ))
 OR {  514}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 40   and name HB3 ))
 OR {  514}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 54   and name HG2%)
 OR {  514}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 61   and name HG  ))
 OR {  514}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 75   and name HG2%)
 OR {  514}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 79   and name HB3 ))
 ASSI {  515}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 32   and name HA  ))
      2.300     0.700     0.700 peak   515 spectrum    1 weight  0.10000E+01 volume  0.10439E-02 ppm1      1.659 ppm2      4.480 CV     1
 OR {  515}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 31   and name HA  ))
 OR {  515}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 12   and name HA  ))
 OR {  515}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 14   and name HA  ))
 OR {  515}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 9    and name HA  ))
 OR {  515}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 40   and name HA  ))
 OR {  515}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 10   and name HA  ))
 OR {  515}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 17   and name HA  ))
 OR {  515}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 52   and name HA  ))
 OR {  515}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 44   and name HA  ))
 OR {  515}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 18   and name HA  ))
 OR {  515}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 3    and name HA  ))
 OR {  515}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 49   and name HA  ))
 OR {  515}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 57   and name HA  ))
 OR {  515}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 59   and name HA  ))
 OR {  515}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 67   and name HA  ))
 OR {  515}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 76   and name HA  ))
 OR {  515}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 81   and name HA  ))
 OR {  515}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 87   and name HA  ))
 ASSI {  516}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 36   and name HA3 ))
      4.100     2.100     1.900 peak   516 spectrum    1 weight  0.10000E+01 volume  0.11272E-02 ppm1      2.013 ppm2      4.009 CV     1
 OR {  516}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 48   and name HA  ))
 OR {  516}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 22   and name HA  ))
 OR {  516}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 59   and name HD3 ))
 OR {  516}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 61   and name HA  ))
 OR {  516}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 66   and name HA  ))
 OR {  516}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 68   and name HA  ))
 OR {  516}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 69   and name HA  ))
 OR {  516}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 74   and name HA2 ))
 ASSI {  517}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HG  ))
      3.600     1.600     1.600 peak   517 spectrum    1 weight  0.10000E+01 volume  0.22154E-02 ppm1      4.479 ppm2      1.601 CV     1
 OR {  517}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 33   and name HB3 ))
 OR {  517}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
 OR {  517}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {  517}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {  517}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 45   and name HG  ))
 OR {  517}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 45   and name HB3 ))
 OR {  517}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 3    and name HG  ))
 OR {  517}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {  517}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {  517}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {  517}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 22   and name HB3 ))
 OR {  517}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 21   and name HD2 ))
 OR {  517}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 21   and name HD3 ))
 OR {  517}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 70   and name HG2 ))
 OR {  517}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {  517}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {  517}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 76   and name HB2 ))
 OR {  517}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 76   and name HG  ))
 OR {  517}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 78   and name HD2 ))
 OR {  517}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 78   and name HD3 ))
 OR {  517}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 84   and name HB3 ))
 OR {  517}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 84   and name HG  ))
 OR {  517}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {  517}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 85   and name HG3 ))
 OR {  517}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 86   and name HD3 ))
 OR {  517}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 86   and name HD2 ))
 ASSI {  518}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB3 ))
      2.700     0.900     0.900 peak   518 spectrum    1 weight  0.10000E+01 volume  0.35147E-02 ppm1      4.480 ppm2      1.763 CV     1
 OR {  518}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
 OR {  518}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 27   and name HB  ))
 OR {  518}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 29   and name HB  ))
 OR {  518}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 17   and name HB3 ))
 OR {  518}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 4    and name HB2 ))
 OR {  518}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 18   and name HG  ))
 OR {  518}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 24   and name HB3 ))
 OR {  518}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 24   and name HG2 ))
 OR {  518}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 24   and name HG3 ))
 OR {  518}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 41   and name HB3 ))
 OR {  518}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 41   and name HB2 ))
 OR {  518}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 50   and name HB2 ))
 OR {  518}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {  518}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 68   and name HG3 ))
 OR {  518}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 70   and name HB2 ))
 OR {  518}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 70   and name HB3 ))
 OR {  518}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 71   and name HB3 ))
 OR {  518}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 77   and name HB2 ))
 OR {  518}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 78   and name HB2 ))
 OR {  518}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 85   and name HB3 ))
 OR {  518}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 86   and name HB3 ))
 ASSI {  519}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name H   ))
      2.300     0.700     0.700 peak   519 spectrum    1 weight  0.10000E+01 volume  0.79512E-02 ppm1      4.484 ppm2      8.550 CV     1
 OR {  519}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 37   and name H   ))
 OR {  519}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 51   and name H   ))
 ASSI {  520}
   (( segid "    " and resid 32   and name HG3 ))
   (( segid "    " and resid 32   and name HB3 ))
      3.100     1.200     1.200 peak   520 spectrum    1 weight  0.10000E+01 volume  0.23266E-02 ppm1      2.128 ppm2      1.760 CV     1
 OR {  520}
   (( segid "    " and resid 32   and name HG3 ))
   (( segid "    " and resid 16   and name HB2 ))
 OR {  520}
   (( segid "    " and resid 32   and name HG3 ))
   (( segid "    " and resid 27   and name HB  ))
 OR {  520}
   (( segid "    " and resid 32   and name HG3 ))
   (( segid "    " and resid 29   and name HB  ))
 OR {  520}
   (( segid "    " and resid 32   and name HG3 ))
   (( segid "    " and resid 17   and name HB3 ))
 OR {  520}
   (( segid "    " and resid 32   and name HG3 ))
   (( segid "    " and resid 4    and name HB2 ))
 OR {  520}
   (( segid "    " and resid 32   and name HG3 ))
   (( segid "    " and resid 18   and name HG  ))
 OR {  520}
   (( segid "    " and resid 32   and name HG3 ))
   (( segid "    " and resid 24   and name HB3 ))
 OR {  520}
   (( segid "    " and resid 32   and name HG3 ))
   (( segid "    " and resid 24   and name HG2 ))
 OR {  520}
   (( segid "    " and resid 32   and name HG3 ))
   (( segid "    " and resid 24   and name HG3 ))
 OR {  520}
   (( segid "    " and resid 32   and name HG3 ))
   (( segid "    " and resid 41   and name HB3 ))
 OR {  520}
   (( segid "    " and resid 32   and name HG3 ))
   (( segid "    " and resid 41   and name HB2 ))
 OR {  520}
   (( segid "    " and resid 32   and name HG3 ))
   (( segid "    " and resid 50   and name HB2 ))
 OR {  520}
   (( segid "    " and resid 32   and name HG3 ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {  520}
   (( segid "    " and resid 32   and name HG3 ))
   (( segid "    " and resid 68   and name HG3 ))
 OR {  520}
   (( segid "    " and resid 32   and name HG3 ))
   (( segid "    " and resid 70   and name HB2 ))
 OR {  520}
   (( segid "    " and resid 32   and name HG3 ))
   (( segid "    " and resid 70   and name HB3 ))
 OR {  520}
   (( segid "    " and resid 32   and name HG3 ))
   (( segid "    " and resid 71   and name HB3 ))
 OR {  520}
   (( segid "    " and resid 32   and name HG3 ))
   (( segid "    " and resid 77   and name HB2 ))
 OR {  520}
   (( segid "    " and resid 32   and name HG3 ))
   (( segid "    " and resid 78   and name HB2 ))
 OR {  520}
   (( segid "    " and resid 32   and name HG3 ))
   (( segid "    " and resid 85   and name HB3 ))
 OR {  520}
   (( segid "    " and resid 32   and name HG3 ))
   (( segid "    " and resid 86   and name HB2 ))
 OR {  520}
   (( segid "    " and resid 32   and name HG3 ))
   (( segid "    " and resid 86   and name HB3 ))
 ASSI {  521}
   (( segid "    " and resid 32   and name HG3 ))
   (( segid "    " and resid 32   and name H   ))
      4.100     2.100     1.900 peak   521 spectrum    1 weight  0.10000E+01 volume  0.99945E-03 ppm1      2.160 ppm2      8.873 CV     1
 OR {  521}
   (( segid "    " and resid 32   and name HG3 ))
   (( segid "    " and resid 31   and name H   ))
 OR {  521}
   (( segid "    " and resid 32   and name HG3 ))
   (( segid "    " and resid 14   and name H   ))
 OR {  521}
   (( segid "    " and resid 32   and name HG3 ))
   (( segid "    " and resid 11   and name H   ))
 OR {  521}
   (( segid "    " and resid 32   and name HG3 ))
   (( segid "    " and resid 20   and name H   ))
 OR {  521}
   (( segid "    " and resid 32   and name HG3 ))
   (( segid "    " and resid 53   and name H   ))
 OR {  521}
   (( segid "    " and resid 32   and name HG3 ))
   (( segid "    " and resid 46   and name H   ))
 OR {  521}
   (( segid "    " and resid 32   and name HG3 ))
   (( segid "    " and resid 48   and name H   ))
 ASSI {  522}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 17   and name HA  ))
      2.400     0.700     0.700 peak   522 spectrum    1 weight  0.10000E+01 volume  0.44198E-02 ppm1      1.743 ppm2      4.476 CV     1
 OR {  522}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 76   and name HA  ))
 OR {  522}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 18   and name HA  ))
 OR {  522}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 3    and name HA  ))
 OR {  522}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 14   and name HA  ))
 OR {  522}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 31   and name HA  ))
 OR {  522}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 81   and name HA  ))
 OR {  522}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 32   and name HA  ))
 OR {  522}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 12   and name HA  ))
 OR {  522}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 9    and name HA  ))
 OR {  522}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 40   and name HA  ))
 OR {  522}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 10   and name HA  ))
 OR {  522}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 44   and name HA  ))
 OR {  522}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 52   and name HA  ))
 OR {  522}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 87   and name HA  ))
 OR {  522}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 67   and name HA  ))
 OR {  522}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 49   and name HA  ))
 OR {  522}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 57   and name HA  ))
 OR {  522}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 59   and name HA  ))
 OR {  522}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 59   and name HA  ))
 OR {  522}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 57   and name HA  ))
 OR {  522}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 49   and name HA  ))
 OR {  522}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 67   and name HA  ))
 OR {  522}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 52   and name HA  ))
 OR {  522}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 44   and name HA  ))
 OR {  522}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 10   and name HA  ))
 OR {  522}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 9    and name HA  ))
 OR {  522}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 40   and name HA  ))
 OR {  522}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 12   and name HA  ))
 OR {  522}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 14   and name HA  ))
 OR {  522}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 32   and name HA  ))
 OR {  522}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 31   and name HA  ))
 OR {  522}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 76   and name HA  ))
 OR {  522}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 3    and name HA  ))
 OR {  522}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 17   and name HA  ))
 OR {  522}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 18   and name HA  ))
 OR {  522}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 81   and name HA  ))
 OR {  522}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 87   and name HA  ))
 ASSI {  523}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 40   and name HD2%)
      3.400     1.400     1.400 peak   523 spectrum    1 weight  0.10000E+01 volume  0.35259E-02 ppm1      4.480 ppm2      0.765 CV     1
 OR {  523}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  523}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  523}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 52   and name HG13))
 OR {  523}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  523}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  523}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  523}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  523}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  523}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  523}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  523}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  523}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  523}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  523}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  523}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  523}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  523}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  523}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  523}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  524}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 31   and name H   ))
      3.200     1.300     1.300 peak   524 spectrum    1 weight  0.10000E+01 volume  0.22044E-02 ppm1      1.240 ppm2      8.846 CV     1
 OR {  524}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 32   and name H   ))
 OR {  524}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 34   and name H   ))
 OR {  524}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 11   and name H   ))
 OR {  524}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 20   and name H   ))
 OR {  524}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 53   and name H   ))
 OR {  524}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 46   and name H   ))
 OR {  524}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 48   and name H   ))
 ASSI {  525}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name H   ))
      2.800     1.000     1.000 peak   525 spectrum    1 weight  0.10000E+01 volume  0.33204E-02 ppm1      1.621 ppm2      8.846 CV     1
 OR {  525}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 32   and name H   ))
 OR {  525}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 34   and name H   ))
 OR {  525}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 11   and name H   ))
 OR {  525}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 20   and name H   ))
 OR {  525}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 53   and name H   ))
 OR {  525}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 46   and name H   ))
 OR {  525}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 48   and name H   ))
 ASSI {  526}
   (( segid "    " and resid 31   and name HG  ))
   (( segid "    " and resid 32   and name H   ))
      3.100     1.200     1.200 peak   526 spectrum    1 weight  0.10000E+01 volume  0.17102E-02 ppm1      1.129 ppm2      8.842 CV     1
 OR {  526}
   (( segid "    " and resid 31   and name HG  ))
   (( segid "    " and resid 31   and name H   ))
 OR {  526}
   (( segid "    " and resid 31   and name HG  ))
   (( segid "    " and resid 34   and name H   ))
 OR {  526}
   (( segid "    " and resid 31   and name HG  ))
   (( segid "    " and resid 11   and name H   ))
 OR {  526}
   (( segid "    " and resid 31   and name HG  ))
   (( segid "    " and resid 20   and name H   ))
 OR {  526}
   (( segid "    " and resid 31   and name HG  ))
   (( segid "    " and resid 53   and name H   ))
 OR {  526}
   (( segid "    " and resid 31   and name HG  ))
   (( segid "    " and resid 48   and name H   ))
 ASSI {  527}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 31   and name HA  ))
      2.500     0.800     0.800 peak   527 spectrum    1 weight  0.10000E+01 volume  0.32925E-02 ppm1      0.653 ppm2      4.455 CV     1
 OR {  527}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 18   and name HA  ))
 OR {  527}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 14   and name HA  ))
 OR {  527}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 32   and name HA  ))
 OR {  527}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 17   and name HA  ))
 OR {  527}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 12   and name HA  ))
 OR {  527}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 17   and name HA  ))
 OR {  527}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 18   and name HA  ))
 OR {  527}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 31   and name HA  ))
 OR {  527}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 9    and name HA  ))
 OR {  527}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 14   and name HA  ))
 OR {  527}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 40   and name HA  ))
 OR {  527}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 32   and name HA  ))
 OR {  527}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 52   and name HA  ))
 OR {  527}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 44   and name HA  ))
 OR {  527}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 12   and name HA  ))
 OR {  527}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 40   and name HA  ))
 OR {  527}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 9    and name HA  ))
 OR {  527}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 49   and name HA  ))
 OR {  527}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 44   and name HA  ))
 OR {  527}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 52   and name HA  ))
 OR {  527}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 57   and name HA  ))
 OR {  527}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 49   and name HA  ))
 OR {  527}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 59   and name HA  ))
 OR {  527}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 57   and name HA  ))
 OR {  527}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 59   and name HA  ))
 OR {  527}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 67   and name HA  ))
 OR {  527}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 67   and name HA  ))
 OR {  527}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 81   and name HA  ))
 OR {  527}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 81   and name HA  ))
 OR {  527}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 87   and name HA  ))
 OR {  527}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 87   and name HA  ))
 ASSI {  528}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 12   and name HE21))
      3.500     1.600     1.600 peak   528 spectrum    1 weight  0.10000E+01 volume  0.28761E-02 ppm1      0.650 ppm2      6.855 CV     1
 OR {  528}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 43   and name HD% )
 OR {  528}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 49   and name HE22))
 OR {  528}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 57   and name HE22))
 OR {  528}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 64   and name HD1 ))
 OR {  528}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 63   and name HE22))
 OR {  528}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 64   and name HH2 ))
 OR {  528}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 65   and name HZ  ))
 OR {  528}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 80   and name HD22))
 ASSI {  529}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 39   and name HD2 ))
      1.900     0.400     0.400 peak   529 spectrum    1 weight  0.10000E+01 volume  0.36424E-02 ppm1      0.650 ppm2      7.166 CV     1
 OR {  529}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 43   and name HE% )
 OR {  529}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 26   and name H   ))
 OR {  529}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 1    and name HD% )
 OR {  529}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 22   and name H   ))
 OR {  529}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 58   and name HD22))
 OR {  529}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 65   and name HD% )
 OR {  529}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 64   and name HZ2 ))
 OR {  529}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 70   and name HE  ))
 OR {  529}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 73   and name HD2 ))
 OR {  529}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 81   and name HD% )
 OR {  529}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 81   and name HE% )
 OR {  529}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 85   and name HE  ))
 ASSI {  531}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 33   and name HB2 ))
      3.200     1.300     1.300 peak   531 spectrum    1 weight  0.10000E+01 volume  0.13992E-02 ppm1      0.353 ppm2      2.071 CV     1
 OR {  531}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 33   and name HG3 ))
 OR {  531}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 32   and name HG3 ))
 OR {  531}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 30   and name HG3 ))
 OR {  531}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 30   and name HB3 ))
 OR {  531}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 28   and name HB2 ))
 OR {  531}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 17   and name HG3 ))
 OR {  531}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 25   and name HB3 ))
 OR {  531}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 56   and name HB2 ))
 OR {  531}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 59   and name HG3 ))
 OR {  531}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 63   and name HB3 ))
 OR {  531}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 66   and name HG2 ))
 OR {  531}
   (  segid "    " and resid 31   and name HD2%)
   (  segid "    " and resid 83   and name HE% )
 OR {  531}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 83   and name HB3 ))
 OR {  531}
   (  segid "    " and resid 31   and name HD2%)
   (  segid "    " and resid 87   and name HE% )
 OR {  531}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 87   and name HB2 ))
 ASSI {  532}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 33   and name HA  ))
      4.000     2.000     2.000 peak   532 spectrum    1 weight  0.10000E+01 volume  0.11938E-02 ppm1      0.344 ppm2      4.344 CV     1
 OR {  532}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 13   and name HA  ))
 OR {  532}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 15   and name HA  ))
 OR {  532}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 6    and name HA  ))
 OR {  532}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 16   and name HA  ))
 OR {  532}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 8    and name HA  ))
 OR {  532}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 5    and name HA  ))
 OR {  532}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 11   and name HA  ))
 OR {  532}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 42   and name HA  ))
 OR {  532}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 2    and name HA  ))
 OR {  532}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 19   and name HA  ))
 OR {  532}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 25   and name HA  ))
 OR {  532}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 55   and name HA  ))
 OR {  532}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 56   and name HA  ))
 OR {  532}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 60   and name HA  ))
 OR {  532}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 64   and name HA  ))
 OR {  532}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 75   and name HA  ))
 OR {  532}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 77   and name HA  ))
 OR {  532}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 83   and name HA  ))
 ASSI {  533}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 12   and name HE21))
      3.300     1.400     1.400 peak   533 spectrum    1 weight  0.10000E+01 volume  0.26096E-02 ppm1      0.350 ppm2      6.859 CV     1
 OR {  533}
   (  segid "    " and resid 31   and name HD2%)
   (  segid "    " and resid 43   and name HD% )
 OR {  533}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 49   and name HE22))
 OR {  533}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 57   and name HE22))
 OR {  533}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 64   and name HD1 ))
 OR {  533}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 63   and name HE22))
 OR {  533}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 64   and name HH2 ))
 OR {  533}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 65   and name HZ  ))
 OR {  533}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 80   and name HD22))
 ASSI {  534}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 39   and name HD2 ))
      2.700     0.900     0.900 peak   534 spectrum    1 weight  0.10000E+01 volume  0.27984E-02 ppm1      0.347 ppm2      7.163 CV     1
 OR {  534}
   (  segid "    " and resid 31   and name HD2%)
   (  segid "    " and resid 43   and name HE% )
 OR {  534}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 26   and name H   ))
 OR {  534}
   (  segid "    " and resid 31   and name HD2%)
   (  segid "    " and resid 1    and name HD% )
 OR {  534}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 58   and name HD22))
 OR {  534}
   (  segid "    " and resid 31   and name HD2%)
   (  segid "    " and resid 65   and name HD% )
 OR {  534}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 64   and name HZ2 ))
 OR {  534}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 70   and name HE  ))
 OR {  534}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 73   and name HD2 ))
 OR {  534}
   (  segid "    " and resid 31   and name HD2%)
   (  segid "    " and resid 81   and name HD% )
 OR {  534}
   (  segid "    " and resid 31   and name HD2%)
   (  segid "    " and resid 81   and name HE% )
 OR {  534}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 85   and name HE  ))
 ASSI {  535}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 32   and name H   ))
      3.700     1.700     1.700 peak   535 spectrum    1 weight  0.10000E+01 volume  0.36369E-02 ppm1      0.346 ppm2      8.834 CV     1
 OR {  535}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 31   and name H   ))
 OR {  535}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 34   and name H   ))
 OR {  535}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 11   and name H   ))
 OR {  535}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 20   and name H   ))
 OR {  535}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 53   and name H   ))
 OR {  535}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 48   and name H   ))
 ASSI {  536}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 31   and name H   ))
      3.300     1.300     1.300 peak   536 spectrum    1 weight  0.10000E+01 volume  0.15825E-02 ppm1      2.231 ppm2      8.835 CV     1
 OR {  536}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 34   and name H   ))
 OR {  536}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 32   and name H   ))
 OR {  536}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 32   and name H   ))
 OR {  536}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 31   and name H   ))
 OR {  536}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 34   and name H   ))
 OR {  536}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 11   and name H   ))
 OR {  536}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 20   and name H   ))
 OR {  536}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 53   and name H   ))
 OR {  536}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 11   and name H   ))
 OR {  536}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 48   and name H   ))
 OR {  536}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 20   and name H   ))
 OR {  536}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 53   and name H   ))
 OR {  536}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 48   and name H   ))
 OR {  536}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 48   and name H   ))
 OR {  536}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 53   and name H   ))
 OR {  536}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 48   and name H   ))
 OR {  536}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 11   and name H   ))
 OR {  536}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 53   and name H   ))
 OR {  536}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 34   and name H   ))
 OR {  536}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 11   and name H   ))
 OR {  536}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 32   and name H   ))
 OR {  536}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 31   and name H   ))
 OR {  536}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 34   and name H   ))
 OR {  536}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 32   and name H   ))
 OR {  536}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 31   and name H   ))
 OR {  536}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 20   and name H   ))
 OR {  536}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 20   and name H   ))
 ASSI {  537}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 31   and name HB3 ))
      3.900     1.900     1.900 peak   537 spectrum    1 weight  0.10000E+01 volume  0.12715E-02 ppm1      0.735 ppm2      1.240 CV     1
 OR {  537}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 16   and name HB3 ))
 OR {  537}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 16   and name HG3 ))
 OR {  537}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 16   and name HG2 ))
 OR {  537}
   (  segid "    " and resid 29   and name HG1%)
   (  segid "    " and resid 34   and name HB% )
 OR {  537}
   (  segid "    " and resid 29   and name HG1%)
   (  segid "    " and resid 8    and name HB% )
 OR {  537}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 18   and name HB3 ))
 OR {  537}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 40   and name HG  ))
 OR {  537}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 40   and name HB3 ))
 OR {  537}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 52   and name HG12))
 OR {  537}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 21   and name HG3 ))
 OR {  537}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 45   and name HB2 ))
 OR {  537}
   (  segid "    " and resid 29   and name HG1%)
   (  segid "    " and resid 54   and name HG2%)
 OR {  537}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 54   and name HG12))
 OR {  537}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 50   and name HG3 ))
 OR {  537}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 54   and name HG13))
 OR {  537}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 61   and name HG  ))
 OR {  537}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 71   and name HG2 ))
 OR {  537}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 79   and name HB3 ))
 ASSI {  538}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 31   and name HB2 ))
      3.500     1.600     1.600 peak   538 spectrum    1 weight  0.10000E+01 volume  0.13048E-02 ppm1      0.735 ppm2      1.597 CV     1
 OR {  538}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 16   and name HD2 ))
 OR {  538}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 16   and name HD3 ))
 OR {  538}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 13   and name HG  ))
 OR {  538}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 33   and name HB3 ))
 OR {  538}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 3    and name HG  ))
 OR {  538}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 25   and name HG3 ))
 OR {  538}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 25   and name HD2 ))
 OR {  538}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 22   and name HB2 ))
 OR {  538}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 22   and name HB3 ))
 OR {  538}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 45   and name HB3 ))
 OR {  538}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 21   and name HD2 ))
 OR {  538}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 45   and name HG  ))
 OR {  538}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 21   and name HD3 ))
 OR {  538}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 47   and name HG  ))
 OR {  538}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 70   and name HG2 ))
 OR {  538}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 71   and name HD2 ))
 OR {  538}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 71   and name HD3 ))
 OR {  538}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 76   and name HB2 ))
 OR {  538}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 76   and name HG  ))
 OR {  538}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 78   and name HD2 ))
 OR {  538}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 78   and name HD3 ))
 OR {  538}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 84   and name HB3 ))
 OR {  538}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 84   and name HG  ))
 OR {  538}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 85   and name HG2 ))
 OR {  538}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 85   and name HG3 ))
 OR {  538}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 86   and name HD3 ))
 OR {  538}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 86   and name HD2 ))
 ASSI {  539}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 15   and name HB2 ))
      2.200     0.600     0.600 peak   539 spectrum    1 weight  0.10000E+01 volume  0.13437E-02 ppm1      0.730 ppm2      1.401 CV     1
 OR {  539}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 15   and name HG3 ))
 OR {  539}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 25   and name HG2 ))
 OR {  539}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 2    and name HG  ))
 OR {  539}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 40   and name HB2 ))
 OR {  539}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 23   and name HB2 ))
 OR {  539}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 23   and name HG  ))
 OR {  539}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 22   and name HG  ))
 OR {  539}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 21   and name HG2 ))
 OR {  539}
   (  segid "    " and resid 29   and name HG1%)
   (  segid "    " and resid 48   and name HB% )
 OR {  539}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 56   and name HG2 ))
 OR {  539}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 61   and name HB2 ))
 OR {  539}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 71   and name HG3 ))
 OR {  539}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 72   and name HB2 ))
 OR {  539}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 72   and name HG  ))
 OR {  539}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 78   and name HG2 ))
 OR {  539}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 78   and name HG3 ))
 OR {  539}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 79   and name HG  ))
 OR {  539}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 79   and name HB2 ))
 OR {  539}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 86   and name HG2 ))
 OR {  539}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 86   and name HG3 ))
 ASSI {  540}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 12   and name HE21))
      2.700     0.900     0.900 peak   540 spectrum    1 weight  0.10000E+01 volume  0.53581E-02 ppm1      0.735 ppm2      6.874 CV     1
 OR {  540}
   (  segid "    " and resid 29   and name HG1%)
   (  segid "    " and resid 43   and name HD% )
 OR {  540}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 57   and name HE22))
 OR {  540}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 63   and name HE22))
 OR {  540}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 64   and name HD1 ))
 OR {  540}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 64   and name HH2 ))
 OR {  540}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 65   and name HZ  ))
 OR {  540}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 80   and name HD22))
 ASSI {  541}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 39   and name HD2 ))
      2.000     0.500     0.500 peak   541 spectrum    1 weight  0.10000E+01 volume  0.23376E-02 ppm1      0.734 ppm2      7.166 CV     1
 OR {  541}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 26   and name H   ))
 OR {  541}
   (  segid "    " and resid 29   and name HG1%)
   (  segid "    " and resid 1    and name HD% )
 OR {  541}
   (  segid "    " and resid 29   and name HG1%)
   (  segid "    " and resid 43   and name HE% )
 OR {  541}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 22   and name H   ))
 OR {  541}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 58   and name HD22))
 OR {  541}
   (  segid "    " and resid 29   and name HG1%)
   (  segid "    " and resid 65   and name HD% )
 OR {  541}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 64   and name HZ2 ))
 OR {  541}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 70   and name HE  ))
 OR {  541}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 73   and name HD2 ))
 OR {  541}
   (  segid "    " and resid 29   and name HG1%)
   (  segid "    " and resid 81   and name HD% )
 OR {  541}
   (  segid "    " and resid 29   and name HG1%)
   (  segid "    " and resid 81   and name HE% )
 OR {  541}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 85   and name HE  ))
 ASSI {  542}
   (  segid "    " and resid 29   and name HG2%)
   (( segid "    " and resid 12   and name HE21))
      3.600     1.600     1.600 peak   542 spectrum    1 weight  0.10000E+01 volume  0.11660E-02 ppm1      0.505 ppm2      6.863 CV     1
 OR {  542}
   (  segid "    " and resid 29   and name HG2%)
   (  segid "    " and resid 43   and name HD% )
 OR {  542}
   (  segid "    " and resid 29   and name HG2%)
   (( segid "    " and resid 49   and name HE22))
 OR {  542}
   (  segid "    " and resid 29   and name HG2%)
   (( segid "    " and resid 57   and name HE22))
 OR {  542}
   (  segid "    " and resid 29   and name HG2%)
   (( segid "    " and resid 63   and name HE22))
 OR {  542}
   (  segid "    " and resid 29   and name HG2%)
   (( segid "    " and resid 64   and name HD1 ))
 OR {  542}
   (  segid "    " and resid 29   and name HG2%)
   (( segid "    " and resid 64   and name HH2 ))
 OR {  542}
   (  segid "    " and resid 29   and name HG2%)
   (( segid "    " and resid 65   and name HZ  ))
 OR {  542}
   (  segid "    " and resid 29   and name HG2%)
   (( segid "    " and resid 80   and name HD22))
 ASSI {  543}
   (  segid "    " and resid 29   and name HG2%)
   (( segid "    " and resid 26   and name H   ))
      2.400     0.700     0.700 peak   543 spectrum    1 weight  0.10000E+01 volume  0.82733E-03 ppm1      0.514 ppm2      7.192 CV     1
 OR {  543}
   (  segid "    " and resid 29   and name HG2%)
   (  segid "    " and resid 1    and name HD% )
 OR {  543}
   (  segid "    " and resid 29   and name HG2%)
   (  segid "    " and resid 43   and name HE% )
 OR {  543}
   (  segid "    " and resid 29   and name HG2%)
   (( segid "    " and resid 22   and name H   ))
 OR {  543}
   (  segid "    " and resid 29   and name HG2%)
   (( segid "    " and resid 50   and name H   ))
 OR {  543}
   (  segid "    " and resid 29   and name HG2%)
   (  segid "    " and resid 65   and name HD% )
 OR {  543}
   (  segid "    " and resid 29   and name HG2%)
   (( segid "    " and resid 64   and name HZ2 ))
 OR {  543}
   (  segid "    " and resid 29   and name HG2%)
   (( segid "    " and resid 70   and name HE  ))
 OR {  543}
   (  segid "    " and resid 29   and name HG2%)
   (  segid "    " and resid 81   and name HE% )
 OR {  543}
   (  segid "    " and resid 29   and name HG2%)
   (( segid "    " and resid 85   and name HE  ))
 ASSI {  544}
   (  segid "    " and resid 29   and name HG2%)
   (  segid "    " and resid 14   and name HD% )
      4.200     2.200     1.800 peak   544 spectrum    1 weight  0.10000E+01 volume  0.78290E-03 ppm1      0.517 ppm2      7.057 CV     1
 OR {  544}
   (  segid "    " and resid 29   and name HG2%)
   (( segid "    " and resid 15   and name HE  ))
 OR {  544}
   (  segid "    " and resid 29   and name HG2%)
   (( segid "    " and resid 39   and name HD2 ))
 OR {  544}
   (  segid "    " and resid 29   and name HG2%)
   (( segid "    " and resid 32   and name HE22))
 OR {  544}
   (  segid "    " and resid 29   and name HG2%)
   (( segid "    " and resid 40   and name H   ))
 OR {  544}
   (  segid "    " and resid 29   and name HG2%)
   (( segid "    " and resid 43   and name HZ  ))
 OR {  544}
   (  segid "    " and resid 29   and name HG2%)
   (( segid "    " and resid 50   and name HE  ))
 OR {  544}
   (  segid "    " and resid 29   and name HG2%)
   (( segid "    " and resid 55   and name HD2 ))
 OR {  544}
   (  segid "    " and resid 29   and name HG2%)
   (( segid "    " and resid 58   and name HD22))
 OR {  544}
   (  segid "    " and resid 29   and name HG2%)
   (  segid "    " and resid 65   and name HE% )
 OR {  544}
   (  segid "    " and resid 29   and name HG2%)
   (( segid "    " and resid 64   and name HE3 ))
 OR {  544}
   (  segid "    " and resid 29   and name HG2%)
   (( segid "    " and resid 67   and name HD2 ))
 OR {  544}
   (  segid "    " and resid 29   and name HG2%)
   (( segid "    " and resid 73   and name HD2 ))
 OR {  544}
   (  segid "    " and resid 29   and name HG2%)
   (  segid "    " and resid 81   and name HD% )
 ASSI {  545}
   (  segid "    " and resid 29   and name HG1%)
   (  segid "    " and resid 14   and name HD% )
      2.900     1.000     1.000 peak   545 spectrum    1 weight  0.10000E+01 volume  0.16880E-02 ppm1      0.736 ppm2      7.077 CV     1
 OR {  545}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 15   and name HE  ))
 OR {  545}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 32   and name HE22))
 OR {  545}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 39   and name HD2 ))
 OR {  545}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 40   and name H   ))
 OR {  545}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 43   and name HZ  ))
 OR {  545}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 50   and name HE  ))
 OR {  545}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 55   and name HD2 ))
 OR {  545}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 58   and name HD22))
 OR {  545}
   (  segid "    " and resid 29   and name HG1%)
   (  segid "    " and resid 65   and name HE% )
 OR {  545}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 67   and name HD2 ))
 OR {  545}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 73   and name HD2 ))
 OR {  545}
   (  segid "    " and resid 29   and name HG1%)
   (  segid "    " and resid 81   and name HD% )
 ASSI {  546}
   (  segid "    " and resid 29   and name HG2%)
   (  segid "    " and resid 14   and name HE% )
      3.700     1.800     1.800 peak   546 spectrum    1 weight  0.10000E+01 volume  0.79400E-03 ppm1      0.513 ppm2      6.677 CV     1
 OR {  546}
   (  segid "    " and resid 29   and name HG2%)
   (( segid "    " and resid 28   and name HE22))
 OR {  546}
   (  segid "    " and resid 29   and name HG2%)
   (( segid "    " and resid 64   and name HZ3 ))
 ASSI {  547}
   (( segid "    " and resid 28   and name HG3 ))
   (( segid "    " and resid 29   and name H   ))
      2.900     1.000     1.000 peak   547 spectrum    1 weight  0.10000E+01 volume  0.11549E-02 ppm1      2.170 ppm2      8.713 CV     1
 OR {  547}
   (( segid "    " and resid 28   and name HG3 ))
   (( segid "    " and resid 34   and name H   ))
 OR {  547}
   (( segid "    " and resid 28   and name HG3 ))
   (( segid "    " and resid 42   and name H   ))
 OR {  547}
   (( segid "    " and resid 28   and name HG3 ))
   (( segid "    " and resid 52   and name H   ))
 OR {  547}
   (( segid "    " and resid 28   and name HG3 ))
   (( segid "    " and resid 47   and name H   ))
 OR {  547}
   (( segid "    " and resid 28   and name HG3 ))
   (( segid "    " and resid 60   and name H   ))
 ASSI {  548}
   (( segid "    " and resid 28   and name HG3 ))
   (( segid "    " and resid 29   and name HB  ))
      3.500     1.500     1.500 peak   548 spectrum    1 weight  0.10000E+01 volume  0.23266E-02 ppm1      2.165 ppm2      1.764 CV     1
 OR {  548}
   (( segid "    " and resid 28   and name HG3 ))
   (( segid "    " and resid 27   and name HB  ))
 OR {  548}
   (( segid "    " and resid 28   and name HG3 ))
   (( segid "    " and resid 16   and name HB2 ))
 OR {  548}
   (( segid "    " and resid 28   and name HG3 ))
   (( segid "    " and resid 18   and name HG  ))
 OR {  548}
   (( segid "    " and resid 28   and name HG3 ))
   (( segid "    " and resid 4    and name HB2 ))
 OR {  548}
   (( segid "    " and resid 28   and name HG3 ))
   (( segid "    " and resid 17   and name HB3 ))
 OR {  548}
   (( segid "    " and resid 28   and name HG3 ))
   (( segid "    " and resid 24   and name HB3 ))
 OR {  548}
   (( segid "    " and resid 28   and name HG3 ))
   (( segid "    " and resid 32   and name HB3 ))
 OR {  548}
   (( segid "    " and resid 28   and name HG3 ))
   (( segid "    " and resid 24   and name HG3 ))
 OR {  548}
   (( segid "    " and resid 28   and name HG3 ))
   (( segid "    " and resid 24   and name HG2 ))
 OR {  548}
   (( segid "    " and resid 28   and name HG3 ))
   (( segid "    " and resid 41   and name HB3 ))
 OR {  548}
   (( segid "    " and resid 28   and name HG3 ))
   (( segid "    " and resid 41   and name HB2 ))
 OR {  548}
   (( segid "    " and resid 28   and name HG3 ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {  548}
   (( segid "    " and resid 28   and name HG3 ))
   (( segid "    " and resid 50   and name HB2 ))
 OR {  548}
   (( segid "    " and resid 28   and name HG3 ))
   (( segid "    " and resid 68   and name HG3 ))
 OR {  548}
   (( segid "    " and resid 28   and name HG3 ))
   (( segid "    " and resid 70   and name HB2 ))
 OR {  548}
   (( segid "    " and resid 28   and name HG3 ))
   (( segid "    " and resid 70   and name HB3 ))
 OR {  548}
   (( segid "    " and resid 28   and name HG3 ))
   (( segid "    " and resid 71   and name HB3 ))
 OR {  548}
   (( segid "    " and resid 28   and name HG3 ))
   (( segid "    " and resid 77   and name HB2 ))
 OR {  548}
   (( segid "    " and resid 28   and name HG3 ))
   (( segid "    " and resid 78   and name HB2 ))
 OR {  548}
   (( segid "    " and resid 28   and name HG3 ))
   (( segid "    " and resid 85   and name HB3 ))
 OR {  548}
   (( segid "    " and resid 28   and name HG3 ))
   (( segid "    " and resid 86   and name HB3 ))
 ASSI {  549}
   (( segid "    " and resid 28   and name HG3 ))
   (  segid "    " and resid 29   and name HG1%)
      3.900     1.900     1.900 peak   549 spectrum    1 weight  0.10000E+01 volume  0.17268E-02 ppm1      2.158 ppm2      0.729 CV     1
 OR {  549}
   (( segid "    " and resid 28   and name HG3 ))
   (  segid "    " and resid 26   and name HG2%)
 OR {  549}
   (( segid "    " and resid 28   and name HG3 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  549}
   (( segid "    " and resid 28   and name HG3 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  549}
   (( segid "    " and resid 28   and name HG3 ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  549}
   (( segid "    " and resid 28   and name HG3 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  549}
   (( segid "    " and resid 28   and name HG3 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  549}
   (( segid "    " and resid 28   and name HG3 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  549}
   (( segid "    " and resid 28   and name HG3 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  549}
   (( segid "    " and resid 28   and name HG3 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  549}
   (( segid "    " and resid 28   and name HG3 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  549}
   (( segid "    " and resid 28   and name HG3 ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  549}
   (( segid "    " and resid 28   and name HG3 ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  549}
   (( segid "    " and resid 28   and name HG3 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  549}
   (( segid "    " and resid 28   and name HG3 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  549}
   (( segid "    " and resid 28   and name HG3 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  549}
   (( segid "    " and resid 28   and name HG3 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  549}
   (( segid "    " and resid 28   and name HG3 ))
   (  segid "    " and resid 79   and name HD1%)
 OR {  549}
   (( segid "    " and resid 28   and name HG3 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  549}
   (( segid "    " and resid 28   and name HG3 ))
   (  segid "    " and resid 84   and name HD2%)
 ASSI {  550}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 29   and name H   ))
      4.400     2.400     1.600 peak   550 spectrum    1 weight  0.10000E+01 volume  0.10050E-02 ppm1      2.024 ppm2      8.728 CV     1
 OR {  550}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 34   and name H   ))
 OR {  550}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 42   and name H   ))
 OR {  550}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 52   and name H   ))
 OR {  550}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 47   and name H   ))
 OR {  550}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 60   and name H   ))
 ASSI {  551}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name H   ))
      2.900     1.000     1.000 peak   551 spectrum    1 weight  0.10000E+01 volume  0.10272E-02 ppm1      2.051 ppm2      7.533 CV     1
 OR {  551}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 57   and name HE21))
 OR {  551}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 49   and name HE21))
 OR {  551}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 36   and name H   ))
 OR {  551}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 61   and name H   ))
 OR {  551}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 36   and name H   ))
 OR {  551}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 49   and name HE21))
 OR {  551}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 28   and name H   ))
 OR {  551}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 57   and name HE21))
 OR {  551}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 61   and name H   ))
 OR {  551}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 80   and name HD21))
 OR {  551}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 80   and name HD21))
 ASSI {  552}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name H   ))
      3.000     1.100     1.100 peak   552 spectrum    1 weight  0.10000E+01 volume  0.12660E-02 ppm1      4.246 ppm2      7.549 CV     1
 OR {  552}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 36   and name H   ))
 OR {  552}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 49   and name HE21))
 OR {  552}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 57   and name HE21))
 OR {  552}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 61   and name H   ))
 OR {  552}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 80   and name HD21))
 ASSI {  553}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name H   ))
      3.100     1.200     1.200 peak   553 spectrum    1 weight  0.10000E+01 volume  0.12049E-02 ppm1      4.224 ppm2      9.054 CV     1
 OR {  553}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 30   and name H   ))
 OR {  553}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 45   and name H   ))
 ASSI {  554}
   (( segid "    " and resid 27   and name HB  ))
   (( segid "    " and resid 26   and name HA  ))
      4.500     2.600     1.500 peak   554 spectrum    1 weight  0.10000E+01 volume  0.86064E-03 ppm1      1.816 ppm2      3.654 CV     1
 OR {  554}
   (( segid "    " and resid 27   and name HB  ))
   (( segid "    " and resid 17   and name HD3 ))
 OR {  554}
   (( segid "    " and resid 27   and name HB  ))
   (( segid "    " and resid 5    and name HD2 ))
 OR {  554}
   (( segid "    " and resid 27   and name HB  ))
   (( segid "    " and resid 23   and name HA  ))
 OR {  554}
   (( segid "    " and resid 27   and name HB  ))
   (( segid "    " and resid 53   and name HB3 ))
 OR {  554}
   (( segid "    " and resid 27   and name HB  ))
   (( segid "    " and resid 56   and name HD2 ))
 OR {  554}
   (( segid "    " and resid 27   and name HB  ))
   (( segid "    " and resid 59   and name HD2 ))
 OR {  554}
   (( segid "    " and resid 27   and name HB  ))
   (( segid "    " and resid 60   and name HB2 ))
 OR {  554}
   (( segid "    " and resid 27   and name HB  ))
   (( segid "    " and resid 88   and name HA3 ))
 OR {  554}
   (( segid "    " and resid 27   and name HB  ))
   (( segid "    " and resid 88   and name HA2 ))
 ASSI {  555}
   (( segid "    " and resid 27   and name HB  ))
   (( segid "    " and resid 28   and name H   ))
      3.300     1.400     1.400 peak   555 spectrum    1 weight  0.10000E+01 volume  0.23431E-02 ppm1      1.809 ppm2      7.547 CV     1
 OR {  555}
   (( segid "    " and resid 27   and name HB  ))
   (( segid "    " and resid 36   and name H   ))
 OR {  555}
   (( segid "    " and resid 27   and name HB  ))
   (( segid "    " and resid 49   and name HE21))
 OR {  555}
   (( segid "    " and resid 27   and name HB  ))
   (( segid "    " and resid 57   and name HE21))
 OR {  555}
   (( segid "    " and resid 27   and name HB  ))
   (( segid "    " and resid 61   and name H   ))
 OR {  555}
   (( segid "    " and resid 27   and name HB  ))
   (( segid "    " and resid 80   and name HD21))
 ASSI {  556}
   (( segid "    " and resid 27   and name HG12))
   (( segid "    " and resid 26   and name HA  ))
      5.300     3.500     0.700 peak   556 spectrum    1 weight  0.10000E+01 volume  0.10494E-02 ppm1      1.477 ppm2      3.661 CV     1
 OR {  556}
   (( segid "    " and resid 27   and name HG12))
   (( segid "    " and resid 17   and name HD3 ))
 OR {  556}
   (( segid "    " and resid 27   and name HG12))
   (( segid "    " and resid 23   and name HA  ))
 OR {  556}
   (( segid "    " and resid 27   and name HG12))
   (( segid "    " and resid 5    and name HD2 ))
 OR {  556}
   (( segid "    " and resid 27   and name HG12))
   (( segid "    " and resid 53   and name HB3 ))
 OR {  556}
   (( segid "    " and resid 27   and name HG12))
   (( segid "    " and resid 56   and name HD2 ))
 OR {  556}
   (( segid "    " and resid 27   and name HG12))
   (( segid "    " and resid 59   and name HD2 ))
 OR {  556}
   (( segid "    " and resid 27   and name HG12))
   (( segid "    " and resid 60   and name HB2 ))
 OR {  556}
   (( segid "    " and resid 27   and name HG12))
   (( segid "    " and resid 88   and name HA2 ))
 OR {  556}
   (( segid "    " and resid 27   and name HG12))
   (( segid "    " and resid 88   and name HA3 ))
 ASSI {  557}
   (( segid "    " and resid 27   and name HG13))
   (( segid "    " and resid 25   and name HB3 ))
      3.500     1.500     1.500 peak   557 spectrum    1 weight  0.10000E+01 volume  0.84398E-03 ppm1      1.059 ppm2      2.050 CV     1
 OR {  557}
   (( segid "    " and resid 27   and name HG13))
   (( segid "    " and resid 28   and name HB2 ))
 OR {  557}
   (( segid "    " and resid 27   and name HG13))
   (( segid "    " and resid 17   and name HG3 ))
 OR {  557}
   (( segid "    " and resid 27   and name HG13))
   (( segid "    " and resid 4    and name HG2 ))
 OR {  557}
   (( segid "    " and resid 27   and name HG13))
   (( segid "    " and resid 33   and name HB2 ))
 OR {  557}
   (( segid "    " and resid 27   and name HG13))
   (( segid "    " and resid 33   and name HG3 ))
 OR {  557}
   (( segid "    " and resid 27   and name HG13))
   (( segid "    " and resid 12   and name HB3 ))
 OR {  557}
   (( segid "    " and resid 27   and name HG13))
   (( segid "    " and resid 56   and name HB2 ))
 OR {  557}
   (( segid "    " and resid 27   and name HG13))
   (( segid "    " and resid 59   and name HG3 ))
 OR {  557}
   (( segid "    " and resid 27   and name HG13))
   (( segid "    " and resid 59   and name HG2 ))
 OR {  557}
   (( segid "    " and resid 27   and name HG13))
   (( segid "    " and resid 59   and name HB2 ))
 OR {  557}
   (( segid "    " and resid 27   and name HG13))
   (( segid "    " and resid 63   and name HB3 ))
 OR {  557}
   (( segid "    " and resid 27   and name HG13))
   (  segid "    " and resid 83   and name HE% )
 OR {  557}
   (( segid "    " and resid 27   and name HG13))
   (( segid "    " and resid 83   and name HB3 ))
 OR {  557}
   (( segid "    " and resid 27   and name HG13))
   (  segid "    " and resid 87   and name HE% )
 OR {  557}
   (( segid "    " and resid 27   and name HG13))
   (( segid "    " and resid 87   and name HB2 ))
 ASSI {  558}
   (( segid "    " and resid 27   and name HG13))
   (( segid "    " and resid 26   and name HA  ))
      4.000     2.000     2.000 peak   558 spectrum    1 weight  0.10000E+01 volume  0.10883E-02 ppm1      1.056 ppm2      3.651 CV     1
 OR {  558}
   (( segid "    " and resid 27   and name HG13))
   (( segid "    " and resid 17   and name HD3 ))
 OR {  558}
   (( segid "    " and resid 27   and name HG13))
   (( segid "    " and resid 23   and name HA  ))
 OR {  558}
   (( segid "    " and resid 27   and name HG13))
   (( segid "    " and resid 5    and name HD2 ))
 OR {  558}
   (( segid "    " and resid 27   and name HG13))
   (( segid "    " and resid 53   and name HB3 ))
 OR {  558}
   (( segid "    " and resid 27   and name HG13))
   (( segid "    " and resid 56   and name HD2 ))
 OR {  558}
   (( segid "    " and resid 27   and name HG13))
   (( segid "    " and resid 59   and name HD2 ))
 OR {  558}
   (( segid "    " and resid 27   and name HG13))
   (( segid "    " and resid 60   and name HB2 ))
 OR {  558}
   (( segid "    " and resid 27   and name HG13))
   (( segid "    " and resid 88   and name HA3 ))
 OR {  558}
   (( segid "    " and resid 27   and name HG13))
   (( segid "    " and resid 88   and name HA2 ))
 ASSI {  559}
   (( segid "    " and resid 27   and name HG13))
   (( segid "    " and resid 30   and name HA  ))
      4.200     2.200     1.800 peak   559 spectrum    1 weight  0.10000E+01 volume  0.97723E-03 ppm1      1.057 ppm2      4.837 CV     1
 OR {  559}
   (( segid "    " and resid 27   and name HG13))
   (( segid "    " and resid 46   and name HA  ))
 OR {  559}
   (( segid "    " and resid 27   and name HG13))
   (( segid "    " and resid 47   and name HA  ))
 OR {  559}
   (( segid "    " and resid 27   and name HG13))
   (( segid "    " and resid 54   and name HA  ))
 ASSI {  560}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 30   and name HG2 ))
      2.800     1.000     1.000 peak   560 spectrum    1 weight  0.10000E+01 volume  0.28818E-02 ppm1      0.882 ppm2      2.280 CV     1
 OR {  560}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 28   and name HG2 ))
 OR {  560}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 32   and name HG2 ))
 OR {  560}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 4    and name HB3 ))
 OR {  560}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 33   and name HG2 ))
 OR {  560}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 12   and name HG3 ))
 OR {  560}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 12   and name HG2 ))
 OR {  560}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 41   and name HG2 ))
 OR {  560}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 54   and name HB  ))
 OR {  560}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 49   and name HB2 ))
 OR {  560}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 49   and name HG3 ))
 OR {  560}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 49   and name HG2 ))
 OR {  560}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 56   and name HD3 ))
 OR {  560}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 63   and name HG3 ))
 OR {  560}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 63   and name HG2 ))
 OR {  560}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 66   and name HG3 ))
 OR {  560}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 69   and name HG3 ))
 ASSI {  561}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 30   and name HG2 ))
      2.900     1.100     1.100 peak   561 spectrum    1 weight  0.10000E+01 volume  0.25430E-02 ppm1      0.881 ppm2      2.160 CV     1
 OR {  561}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 30   and name HB3 ))
 OR {  561}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 30   and name HG3 ))
 OR {  561}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 28   and name HG3 ))
 OR {  561}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 26   and name HB  ))
 OR {  561}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 17   and name HB2 ))
 OR {  561}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 32   and name HG3 ))
 OR {  561}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 5    and name HB2 ))
 OR {  561}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 33   and name HG2 ))
 OR {  561}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 54   and name HB  ))
 OR {  561}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 66   and name HG2 ))
 OR {  561}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 69   and name HG2 ))
 OR {  561}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 69   and name HG3 ))
 OR {  561}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 77   and name HB3 ))
 ASSI {  562}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 28   and name HB2 ))
      3.500     1.500     1.500 peak   562 spectrum    1 weight  0.10000E+01 volume  0.26540E-02 ppm1      0.882 ppm2      2.037 CV     1
 OR {  562}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 25   and name HB3 ))
 OR {  562}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 17   and name HG3 ))
 OR {  562}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 33   and name HB2 ))
 OR {  562}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 4    and name HG2 ))
 OR {  562}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 33   and name HG3 ))
 OR {  562}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 12   and name HB3 ))
 OR {  562}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 56   and name HB2 ))
 OR {  562}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 59   and name HG3 ))
 OR {  562}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 59   and name HG2 ))
 OR {  562}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 59   and name HB2 ))
 OR {  562}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 63   and name HB3 ))
 OR {  562}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 66   and name HB3 ))
 OR {  562}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 69   and name HB3 ))
 OR {  562}
   (  segid "    " and resid 27   and name HG2%)
   (  segid "    " and resid 83   and name HE% )
 OR {  562}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 83   and name HB3 ))
 OR {  562}
   (  segid "    " and resid 27   and name HG2%)
   (  segid "    " and resid 87   and name HE% )
 OR {  562}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 87   and name HB2 ))
 ASSI {  563}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 26   and name HA  ))
      2.300     0.600     0.600 peak   563 spectrum    1 weight  0.10000E+01 volume  0.14770E-02 ppm1      0.888 ppm2      3.659 CV     1
 OR {  563}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 17   and name HD3 ))
 OR {  563}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 5    and name HD2 ))
 OR {  563}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 23   and name HA  ))
 OR {  563}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 53   and name HB3 ))
 OR {  563}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 56   and name HD2 ))
 OR {  563}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 59   and name HD2 ))
 OR {  563}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 60   and name HB2 ))
 OR {  563}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 88   and name HA2 ))
 OR {  563}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 88   and name HA3 ))
 ASSI {  564}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 30   and name HA  ))
      4.200     2.200     1.800 peak   564 spectrum    1 weight  0.10000E+01 volume  0.90505E-03 ppm1      0.882 ppm2      4.830 CV     1
 OR {  564}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 46   and name HA  ))
 OR {  564}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 47   and name HA  ))
 OR {  564}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 54   and name HA  ))
 ASSI {  565}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 26   and name H   ))
      2.300     0.700     0.700 peak   565 spectrum    1 weight  0.10000E+01 volume  0.10827E-02 ppm1      0.728 ppm2      7.233 CV     1
 OR {  565}
   (  segid "    " and resid 27   and name HD1%)
   (  segid "    " and resid 1    and name HE% )
 OR {  565}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 22   and name H   ))
 OR {  565}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 1    and name HZ  ))
 OR {  565}
   (  segid "    " and resid 27   and name HD1%)
   (  segid "    " and resid 43   and name HE% )
 OR {  565}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 50   and name H   ))
 OR {  565}
   (  segid "    " and resid 27   and name HD1%)
   (  segid "    " and resid 65   and name HD% )
 OR {  565}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 64   and name HZ2 ))
 OR {  565}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 70   and name HE  ))
 OR {  565}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 85   and name HE  ))
 ASSI {  566}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 30   and name HA  ))
      2.200     0.600     0.600 peak   566 spectrum    1 weight  0.10000E+01 volume  0.15158E-02 ppm1      0.736 ppm2      4.832 CV     1
 OR {  566}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 46   and name HA  ))
 OR {  566}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 47   and name HA  ))
 OR {  566}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 54   and name HA  ))
 ASSI {  567}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 26   and name HA  ))
      2.300     0.600     0.600 peak   567 spectrum    1 weight  0.10000E+01 volume  0.12604E-02 ppm1      0.741 ppm2      3.664 CV     1
 OR {  567}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 17   and name HD3 ))
 OR {  567}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 23   and name HA  ))
 OR {  567}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 5    and name HD2 ))
 OR {  567}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 53   and name HB3 ))
 OR {  567}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 56   and name HD2 ))
 OR {  567}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 59   and name HD2 ))
 OR {  567}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 60   and name HB2 ))
 OR {  567}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 88   and name HA3 ))
 OR {  567}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 88   and name HA2 ))
 ASSI {  568}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 24   and name HD3 ))
      2.400     0.700     0.700 peak   568 spectrum    1 weight  0.10000E+01 volume  0.91617E-03 ppm1      0.730 ppm2      3.048 CV     1
 OR {  568}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 14   and name HB3 ))
 OR {  568}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 14   and name HB2 ))
 OR {  568}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 1    and name HB2 ))
 OR {  568}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 39   and name HB2 ))
 OR {  568}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 50   and name HD3 ))
 OR {  568}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 50   and name HD2 ))
 OR {  568}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 46   and name HB3 ))
 OR {  568}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 58   and name HB3 ))
 OR {  568}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 64   and name HB3 ))
 OR {  568}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 65   and name HB3 ))
 OR {  568}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 67   and name HB3 ))
 OR {  568}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 70   and name HD2 ))
 OR {  568}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 70   and name HD3 ))
 OR {  568}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 73   and name HB2 ))
 OR {  568}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 81   and name HB2 ))
 OR {  568}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 85   and name HD3 ))
 OR {  568}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 85   and name HD2 ))
 ASSI {  569}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 24   and name HD3 ))
      2.400     0.700     0.700 peak   569 spectrum    1 weight  0.10000E+01 volume  0.92171E-03 ppm1      0.730 ppm2      3.123 CV     1
 OR {  569}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 24   and name HD2 ))
 OR {  569}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 1    and name HB3 ))
 OR {  569}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 14   and name HB3 ))
 OR {  569}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 14   and name HB2 ))
 OR {  569}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 38   and name HB3 ))
 OR {  569}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 39   and name HB2 ))
 OR {  569}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 50   and name HD3 ))
 OR {  569}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 46   and name HB2 ))
 OR {  569}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 58   and name HB3 ))
 OR {  569}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 64   and name HB2 ))
 OR {  569}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 65   and name HB2 ))
 OR {  569}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 67   and name HB3 ))
 OR {  569}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 67   and name HB2 ))
 OR {  569}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 70   and name HD2 ))
 OR {  569}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 70   and name HD3 ))
 OR {  569}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 73   and name HB2 ))
 OR {  569}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 81   and name HB2 ))
 OR {  569}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 85   and name HD3 ))
 OR {  569}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 85   and name HD2 ))
 ASSI {  570}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 30   and name HG3 ))
      2.300     0.700     0.700 peak   570 spectrum    1 weight  0.10000E+01 volume  0.11272E-02 ppm1      0.725 ppm2      2.154 CV     1
 OR {  570}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 26   and name HB  ))
 OR {  570}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 17   and name HB2 ))
 OR {  570}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 30   and name HB3 ))
 OR {  570}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 28   and name HG3 ))
 OR {  570}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 32   and name HG3 ))
 OR {  570}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 5    and name HB2 ))
 OR {  570}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 54   and name HB  ))
 OR {  570}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 66   and name HG2 ))
 OR {  570}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 69   and name HG2 ))
 OR {  570}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 69   and name HG3 ))
 OR {  570}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 77   and name HB3 ))
 ASSI {  571}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 25   and name HB3 ))
      2.200     0.600     0.600 peak   571 spectrum    1 weight  0.10000E+01 volume  0.16047E-02 ppm1      0.734 ppm2      2.029 CV     1
 OR {  571}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 17   and name HG3 ))
 OR {  571}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 25   and name HB2 ))
 OR {  571}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 28   and name HB2 ))
 OR {  571}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 30   and name HB2 ))
 OR {  571}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 4    and name HG2 ))
 OR {  571}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 33   and name HB2 ))
 OR {  571}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 33   and name HG3 ))
 OR {  571}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 12   and name HB3 ))
 OR {  571}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 56   and name HB2 ))
 OR {  571}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 57   and name HB3 ))
 OR {  571}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 59   and name HG3 ))
 OR {  571}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 59   and name HG2 ))
 OR {  571}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 59   and name HB2 ))
 OR {  571}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 63   and name HB3 ))
 OR {  571}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 66   and name HB3 ))
 OR {  571}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 69   and name HB3 ))
 OR {  571}
   (  segid "    " and resid 27   and name HD1%)
   (  segid "    " and resid 83   and name HE% )
 OR {  571}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 83   and name HB3 ))
 OR {  571}
   (  segid "    " and resid 27   and name HD1%)
   (  segid "    " and resid 87   and name HE% )
 OR {  571}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 87   and name HB2 ))
 ASSI {  572}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 24   and name HB2 ))
      2.200     0.600     0.600 peak   572 spectrum    1 weight  0.10000E+01 volume  0.16047E-02 ppm1      0.735 ppm2      1.949 CV     1
 OR {  572}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 25   and name HB2 ))
 OR {  572}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 30   and name HB2 ))
 OR {  572}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 4    and name HG3 ))
 OR {  572}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 4    and name HG2 ))
 OR {  572}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 5    and name HG3 ))
 OR {  572}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 5    and name HG2 ))
 OR {  572}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 32   and name HB2 ))
 OR {  572}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 33   and name HB2 ))
 OR {  572}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 13   and name HB3 ))
 OR {  572}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 12   and name HB2 ))
 OR {  572}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 12   and name HB3 ))
 OR {  572}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 44   and name HB  ))
 OR {  572}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 49   and name HB3 ))
 OR {  572}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 47   and name HB3 ))
 OR {  572}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 57   and name HB3 ))
 OR {  572}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 59   and name HG2 ))
 OR {  572}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 59   and name HB2 ))
 OR {  572}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 63   and name HB2 ))
 OR {  572}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 63   and name HB3 ))
 OR {  572}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 66   and name HB2 ))
 OR {  572}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 66   and name HB3 ))
 OR {  572}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 69   and name HB3 ))
 OR {  572}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 69   and name HB2 ))
 OR {  572}
   (  segid "    " and resid 27   and name HD1%)
   (  segid "    " and resid 83   and name HE% )
 OR {  572}
   (  segid "    " and resid 27   and name HD1%)
   (  segid "    " and resid 87   and name HE% )
 OR {  572}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 83   and name HB2 ))
 OR {  572}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 87   and name HB3 ))
 ASSI {  573}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 27   and name HG12))
      1.900     0.400     0.400 peak   573 spectrum    1 weight  0.10000E+01 volume  0.21694E-01 ppm1      0.732 ppm2      1.438 CV     1
 OR {  573}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 18   and name HB2 ))
 OR {  573}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 25   and name HG2 ))
 OR {  573}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 3    and name HB2 ))
 OR {  573}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 3    and name HB3 ))
 OR {  573}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 15   and name HG3 ))
 OR {  573}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 23   and name HB2 ))
 OR {  573}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 15   and name HB2 ))
 OR {  573}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 15   and name HG2 ))
 OR {  573}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 23   and name HG  ))
 OR {  573}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 22   and name HG  ))
 OR {  573}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 2    and name HB2 ))
 OR {  573}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 2    and name HB3 ))
 OR {  573}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 21   and name HG2 ))
 OR {  573}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 2    and name HG  ))
 OR {  573}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 40   and name HB2 ))
 OR {  573}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 52   and name HB  ))
 OR {  573}
   (  segid "    " and resid 27   and name HD1%)
   (  segid "    " and resid 48   and name HB% )
 OR {  573}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 50   and name HG2 ))
 OR {  573}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 56   and name HG2 ))
 OR {  573}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 61   and name HB2 ))
 OR {  573}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 72   and name HB2 ))
 OR {  573}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 72   and name HB3 ))
 OR {  573}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 72   and name HG  ))
 OR {  573}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 76   and name HB3 ))
 OR {  573}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 78   and name HG3 ))
 OR {  573}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 79   and name HG  ))
 OR {  573}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 79   and name HB2 ))
 OR {  573}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 84   and name HB2 ))
 OR {  573}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 86   and name HG3 ))
 ASSI {  574}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 27   and name H   ))
      2.200     0.600     0.600 peak   574 spectrum    1 weight  0.10000E+01 volume  0.42255E-02 ppm1      3.662 ppm2      9.069 CV     1
 OR {  574}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 30   and name H   ))
 OR {  574}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 45   and name H   ))
 ASSI {  575}
   (( segid "    " and resid 26   and name HB  ))
   (( segid "    " and resid 25   and name H   ))
      2.400     0.700     0.700 peak   575 spectrum    1 weight  0.10000E+01 volume  0.12271E-02 ppm1      2.148 ppm2      7.652 CV     1
 OR {  575}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 25   and name H   ))
 OR {  575}
   (( segid "    " and resid 26   and name HB  ))
   (( segid "    " and resid 41   and name HE21))
 OR {  575}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 41   and name HE21))
 OR {  575}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 62   and name H   ))
 OR {  575}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 62   and name H   ))
 OR {  575}
   (( segid "    " and resid 26   and name HB  ))
   (( segid "    " and resid 62   and name H   ))
 OR {  575}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 41   and name HE21))
 OR {  575}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 25   and name H   ))
 ASSI {  576}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 18   and name HB2 ))
      2.400     0.700     0.700 peak   576 spectrum    1 weight  0.10000E+01 volume  0.20989E-01 ppm1      0.848 ppm2      1.472 CV     1
 OR {  576}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 16   and name HD3 ))
 OR {  576}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 27   and name HG12))
 OR {  576}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 3    and name HB3 ))
 OR {  576}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 3    and name HB2 ))
 OR {  576}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 23   and name HB2 ))
 OR {  576}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 2    and name HB2 ))
 OR {  576}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 2    and name HB3 ))
 OR {  576}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 15   and name HB2 ))
 OR {  576}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 2    and name HG  ))
 OR {  576}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 15   and name HG2 ))
 OR {  576}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 22   and name HG  ))
 OR {  576}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 21   and name HG2 ))
 OR {  576}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 40   and name HB2 ))
 OR {  576}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 52   and name HB  ))
 OR {  576}
   (  segid "    " and resid 26   and name HG1%)
   (  segid "    " and resid 48   and name HB% )
 OR {  576}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 47   and name HG  ))
 OR {  576}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 50   and name HG2 ))
 OR {  576}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 61   and name HB3 ))
 OR {  576}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 70   and name HG3 ))
 OR {  576}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 72   and name HB3 ))
 OR {  576}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 72   and name HG  ))
 OR {  576}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 76   and name HB2 ))
 OR {  576}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 76   and name HB3 ))
 OR {  576}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 79   and name HG  ))
 OR {  576}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 79   and name HB2 ))
 OR {  576}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 84   and name HB2 ))
 OR {  576}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 84   and name HG  ))
 OR {  576}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 85   and name HG2 ))
 OR {  576}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 85   and name HG3 ))
 ASSI {  577}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 25   and name HG2 ))
      2.300     0.700     0.700 peak   577 spectrum    1 weight  0.10000E+01 volume  0.42699E-02 ppm1      0.849 ppm2      1.349 CV     1
 OR {  577}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 15   and name HG3 ))
 OR {  577}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 23   and name HG  ))
 OR {  577}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 25   and name HG2 ))
 OR {  577}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 15   and name HG3 ))
 OR {  577}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 21   and name HG3 ))
 OR {  577}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 23   and name HG  ))
 OR {  577}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 22   and name HG  ))
 OR {  577}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 21   and name HG3 ))
 OR {  577}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 22   and name HG  ))
 OR {  577}
   (  segid "    " and resid 3    and name HD1%)
   (  segid "    " and resid 8    and name HB% )
 OR {  577}
   (  segid "    " and resid 26   and name HG1%)
   (  segid "    " and resid 8    and name HB% )
 OR {  577}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 40   and name HB2 ))
 OR {  577}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 40   and name HB2 ))
 OR {  577}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 45   and name HB2 ))
 OR {  577}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 45   and name HB2 ))
 OR {  577}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 56   and name HG2 ))
 OR {  577}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 56   and name HG2 ))
 OR {  577}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 61   and name HB2 ))
 OR {  577}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 61   and name HB2 ))
 OR {  577}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 71   and name HG3 ))
 OR {  577}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 71   and name HG3 ))
 OR {  577}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 71   and name HG2 ))
 OR {  577}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 71   and name HG2 ))
 OR {  577}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 72   and name HB2 ))
 OR {  577}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 72   and name HB2 ))
 OR {  577}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 78   and name HG2 ))
 OR {  577}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 78   and name HG2 ))
 OR {  577}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 78   and name HG3 ))
 OR {  577}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 78   and name HG3 ))
 OR {  577}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 86   and name HG2 ))
 OR {  577}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 86   and name HG2 ))
 OR {  577}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 86   and name HG3 ))
 OR {  577}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 86   and name HG3 ))
 ASSI {  578}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 18   and name HG  ))
      4.200     2.200     1.800 peak   578 spectrum    1 weight  0.10000E+01 volume  0.14992E-02 ppm1      0.847 ppm2      1.715 CV     1
 OR {  578}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 25   and name HD3 ))
 OR {  578}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 29   and name HB  ))
 OR {  578}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 24   and name HB3 ))
 OR {  578}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 16   and name HB2 ))
 OR {  578}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 17   and name HB3 ))
 OR {  578}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 24   and name HG3 ))
 OR {  578}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 24   and name HG2 ))
 OR {  578}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 21   and name HB2 ))
 OR {  578}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 21   and name HB3 ))
 OR {  578}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 32   and name HB3 ))
 OR {  578}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 33   and name HB3 ))
 OR {  578}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 47   and name HB2 ))
 OR {  578}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 56   and name HG3 ))
 OR {  578}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 68   and name HB3 ))
 OR {  578}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 68   and name HG3 ))
 OR {  578}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 70   and name HB2 ))
 OR {  578}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 70   and name HB3 ))
 OR {  578}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 71   and name HB2 ))
 OR {  578}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 71   and name HB3 ))
 OR {  578}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 77   and name HB2 ))
 OR {  578}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 78   and name HB3 ))
 OR {  578}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 78   and name HB2 ))
 OR {  578}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 85   and name HB3 ))
 OR {  578}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 85   and name HB2 ))
 OR {  578}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 86   and name HB2 ))
 OR {  578}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 86   and name HB3 ))
 ASSI {  579}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 18   and name HG  ))
      3.200     1.200     1.200 peak   579 spectrum    1 weight  0.10000E+01 volume  0.20099E-02 ppm1      0.848 ppm2      1.805 CV     1
 OR {  579}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 17   and name HB3 ))
 OR {  579}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 17   and name HG2 ))
 OR {  579}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 4    and name HB2 ))
 OR {  579}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 16   and name HB2 ))
 OR {  579}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 27   and name HB  ))
 OR {  579}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 5    and name HB3 ))
 OR {  579}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 28   and name HB3 ))
 OR {  579}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 15   and name HB3 ))
 OR {  579}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 29   and name HB  ))
 OR {  579}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 24   and name HB3 ))
 OR {  579}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 24   and name HG2 ))
 OR {  579}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 32   and name HB3 ))
 OR {  579}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 41   and name HB3 ))
 OR {  579}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 41   and name HB2 ))
 OR {  579}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 41   and name HG3 ))
 OR {  579}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 50   and name HB3 ))
 OR {  579}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 50   and name HB2 ))
 OR {  579}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 56   and name HB3 ))
 OR {  579}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 68   and name HB2 ))
 OR {  579}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 68   and name HG3 ))
 OR {  579}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 70   and name HB3 ))
 OR {  579}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 77   and name HG2 ))
 OR {  579}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 77   and name HG3 ))
 OR {  579}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 77   and name HB2 ))
 OR {  579}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 85   and name HB3 ))
 OR {  579}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 86   and name HB3 ))
 ASSI {  580}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 28   and name HB2 ))
      3.200     1.300     1.300 peak   580 spectrum    1 weight  0.10000E+01 volume  0.33314E-02 ppm1      0.849 ppm2      1.971 CV     1
 OR {  580}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 4    and name HG2 ))
 OR {  580}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 4    and name HG3 ))
 OR {  580}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 25   and name HB2 ))
 OR {  580}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 5    and name HG3 ))
 OR {  580}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 28   and name HB2 ))
 OR {  580}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 5    and name HG2 ))
 OR {  580}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 5    and name HG3 ))
 OR {  580}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 30   and name HB2 ))
 OR {  580}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 4    and name HG3 ))
 OR {  580}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 5    and name HG2 ))
 OR {  580}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 4    and name HG2 ))
 OR {  580}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 25   and name HB2 ))
 OR {  580}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 30   and name HB2 ))
 OR {  580}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 13   and name HB3 ))
 OR {  580}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 33   and name HB2 ))
 OR {  580}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 33   and name HB2 ))
 OR {  580}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 13   and name HB3 ))
 OR {  580}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 12   and name HB3 ))
 OR {  580}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 12   and name HB2 ))
 OR {  580}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 12   and name HB2 ))
 OR {  580}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 12   and name HB3 ))
 OR {  580}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 44   and name HB  ))
 OR {  580}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 44   and name HB  ))
 OR {  580}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 49   and name HB3 ))
 OR {  580}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 49   and name HB3 ))
 OR {  580}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 57   and name HB3 ))
 OR {  580}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 57   and name HB3 ))
 OR {  580}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 59   and name HG2 ))
 OR {  580}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 59   and name HG2 ))
 OR {  580}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 59   and name HB2 ))
 OR {  580}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 59   and name HB2 ))
 OR {  580}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 63   and name HB2 ))
 OR {  580}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 63   and name HB2 ))
 OR {  580}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 63   and name HB3 ))
 OR {  580}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 63   and name HB3 ))
 OR {  580}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 66   and name HB2 ))
 OR {  580}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 66   and name HB2 ))
 OR {  580}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 66   and name HB3 ))
 OR {  580}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 66   and name HB3 ))
 OR {  580}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 69   and name HB3 ))
 OR {  580}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 69   and name HB3 ))
 OR {  580}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 69   and name HB2 ))
 OR {  580}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 69   and name HB2 ))
 OR {  580}
   (  segid "    " and resid 3    and name HD1%)
   (  segid "    " and resid 83   and name HE% )
 OR {  580}
   (  segid "    " and resid 26   and name HG1%)
   (  segid "    " and resid 83   and name HE% )
 OR {  580}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 83   and name HB3 ))
 OR {  580}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 83   and name HB3 ))
 OR {  580}
   (  segid "    " and resid 26   and name HG1%)
   (  segid "    " and resid 87   and name HE% )
 OR {  580}
   (  segid "    " and resid 3    and name HD1%)
   (  segid "    " and resid 87   and name HE% )
 OR {  580}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 83   and name HB2 ))
 OR {  580}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 83   and name HB2 ))
 OR {  580}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 87   and name HB3 ))
 OR {  580}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 87   and name HB3 ))
 ASSI {  581}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 24   and name HD3 ))
      2.600     0.900     0.900 peak   581 spectrum    1 weight  0.10000E+01 volume  0.84952E-03 ppm1      0.848 ppm2      3.065 CV     1
 OR {  581}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 1    and name HB3 ))
 OR {  581}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 1    and name HB2 ))
 OR {  581}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 14   and name HB3 ))
 OR {  581}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 14   and name HB2 ))
 OR {  581}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 39   and name HB2 ))
 OR {  581}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 46   and name HB3 ))
 OR {  581}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 50   and name HD3 ))
 OR {  581}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 50   and name HD2 ))
 OR {  581}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 58   and name HB3 ))
 OR {  581}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 64   and name HB3 ))
 OR {  581}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 64   and name HB2 ))
 OR {  581}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 65   and name HB3 ))
 OR {  581}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 67   and name HB3 ))
 OR {  581}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 70   and name HD2 ))
 OR {  581}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 70   and name HD3 ))
 OR {  581}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 73   and name HB2 ))
 OR {  581}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 81   and name HB2 ))
 OR {  581}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 85   and name HD3 ))
 OR {  581}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 85   and name HD2 ))
 ASSI {  582}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 4    and name HD3 ))
      3.200     1.300     1.300 peak   582 spectrum    1 weight  0.10000E+01 volume  0.34092E-02 ppm1      0.849 ppm2      3.835 CV     1
 OR {  582}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 19   and name HB3 ))
 OR {  582}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 19   and name HB3 ))
 OR {  582}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 4    and name HD3 ))
 OR {  582}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 21   and name HA  ))
 OR {  582}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 21   and name HA  ))
 OR {  582}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 6    and name HB3 ))
 OR {  582}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 6    and name HB2 ))
 OR {  582}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 34   and name HA  ))
 OR {  582}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 6    and name HB3 ))
 OR {  582}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 6    and name HB2 ))
 OR {  582}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 34   and name HA  ))
 OR {  582}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 82   and name HA3 ))
 OR {  582}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 82   and name HA2 ))
 OR {  582}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 82   and name HA2 ))
 OR {  582}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 82   and name HA3 ))
 ASSI {  583}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 1    and name HA  ))
      3.200     1.300     1.300 peak   583 spectrum    1 weight  0.10000E+01 volume  0.12604E-02 ppm1      0.843 ppm2      4.143 CV     1
 OR {  583}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 19   and name HB2 ))
 OR {  583}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 19   and name HB2 ))
 OR {  583}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 1    and name HA  ))
 OR {  583}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 20   and name HA  ))
 OR {  583}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 24   and name HA  ))
 OR {  583}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 20   and name HA  ))
 OR {  583}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 24   and name HA  ))
 OR {  583}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 7    and name HB  ))
 OR {  583}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 7    and name HB  ))
 OR {  583}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 62   and name HA  ))
 OR {  583}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 62   and name HA  ))
 OR {  583}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 63   and name HA  ))
 OR {  583}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 63   and name HA  ))
 OR {  583}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 65   and name HA  ))
 OR {  583}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 65   and name HA  ))
 OR {  583}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 70   and name HA  ))
 OR {  583}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 70   and name HA  ))
 OR {  583}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 71   and name HA  ))
 OR {  583}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 71   and name HA  ))
 OR {  583}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 72   and name HA  ))
 OR {  583}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 72   and name HA  ))
 OR {  583}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 75   and name HB  ))
 OR {  583}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 75   and name HB  ))
 OR {  583}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 78   and name HA  ))
 OR {  583}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 78   and name HA  ))
 ASSI {  584}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 12   and name HE21))
      2.200     0.600     0.600 peak   584 spectrum    1 weight  0.10000E+01 volume  0.13159E-02 ppm1      0.849 ppm2      6.870 CV     1
 OR {  584}
   (  segid "    " and resid 3    and name HD1%)
   (  segid "    " and resid 43   and name HD% )
 OR {  584}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 57   and name HE22))
 OR {  584}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 63   and name HE22))
 OR {  584}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 64   and name HD1 ))
 OR {  584}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 64   and name HH2 ))
 OR {  584}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 65   and name HZ  ))
 OR {  584}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 80   and name HD22))
 ASSI {  585}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 24   and name H   ))
      3.000     1.100     1.100 peak   585 spectrum    1 weight  0.10000E+01 volume  0.72737E-03 ppm1      0.844 ppm2      7.774 CV     1
 OR {  585}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 23   and name H   ))
 OR {  585}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 24   and name H   ))
 OR {  585}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 23   and name H   ))
 OR {  585}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 12   and name H   ))
 OR {  585}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 12   and name H   ))
 OR {  585}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 55   and name HE1 ))
 OR {  585}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 55   and name HE1 ))
 OR {  585}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 64   and name H   ))
 OR {  585}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 64   and name H   ))
 ASSI {  586}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 28   and name H   ))
      3.500     1.500     1.500 peak   586 spectrum    1 weight  0.10000E+01 volume  0.76069E-03 ppm1      0.846 ppm2      7.525 CV     1
 OR {  586}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 36   and name H   ))
 OR {  586}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 49   and name HE21))
 OR {  586}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 57   and name HE21))
 OR {  586}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 61   and name H   ))
 OR {  586}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 80   and name HD21))
 ASSI {  587}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 27   and name H   ))
      3.100     1.200     1.200 peak   587 spectrum    1 weight  0.10000E+01 volume  0.22987E-02 ppm1      0.847 ppm2      9.067 CV     1
 OR {  587}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 30   and name H   ))
 OR {  587}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 45   and name H   ))
 ASSI {  588}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 20   and name H   ))
      3.500     1.500     1.500 peak   588 spectrum    1 weight  0.10000E+01 volume  0.98833E-03 ppm1      0.846 ppm2      8.891 CV     1
 OR {  588}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 31   and name H   ))
 OR {  588}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 32   and name H   ))
 OR {  588}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 14   and name H   ))
 OR {  588}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 11   and name H   ))
 OR {  588}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 53   and name H   ))
 OR {  588}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 46   and name H   ))
 OR {  588}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 48   and name H   ))
 ASSI {  589}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 16   and name HD3 ))
      3.100     1.200     1.200 peak   589 spectrum    1 weight  0.10000E+01 volume  0.20600E-02 ppm1      0.682 ppm2      1.599 CV     1
 OR {  589}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 3    and name HG  ))
 OR {  589}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 16   and name HD2 ))
 OR {  589}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 25   and name HG3 ))
 OR {  589}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 25   and name HD2 ))
 OR {  589}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 22   and name HB2 ))
 OR {  589}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 22   and name HB3 ))
 OR {  589}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 21   and name HD2 ))
 OR {  589}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 31   and name HB2 ))
 OR {  589}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 21   and name HD3 ))
 OR {  589}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 13   and name HG  ))
 OR {  589}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 33   and name HB3 ))
 OR {  589}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 45   and name HB3 ))
 OR {  589}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 45   and name HG  ))
 OR {  589}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 70   and name HG2 ))
 OR {  589}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 71   and name HD2 ))
 OR {  589}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 71   and name HD3 ))
 OR {  589}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 76   and name HB2 ))
 OR {  589}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 76   and name HG  ))
 OR {  589}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 78   and name HD2 ))
 OR {  589}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 78   and name HD3 ))
 OR {  589}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 84   and name HB3 ))
 OR {  589}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 84   and name HG  ))
 OR {  589}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 85   and name HG2 ))
 OR {  589}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 85   and name HG3 ))
 OR {  589}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 86   and name HD3 ))
 OR {  589}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 86   and name HD2 ))
 ASSI {  590}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 18   and name HG  ))
      2.700     0.900     0.900 peak   590 spectrum    1 weight  0.10000E+01 volume  0.16546E-02 ppm1      0.682 ppm2      1.816 CV     1
 OR {  590}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 27   and name HB  ))
 OR {  590}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 24   and name HB2 ))
 OR {  590}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 17   and name HG2 ))
 OR {  590}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 28   and name HB3 ))
 OR {  590}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 24   and name HB3 ))
 OR {  590}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 17   and name HB3 ))
 OR {  590}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 16   and name HB2 ))
 OR {  590}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 29   and name HB  ))
 OR {  590}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 24   and name HG2 ))
 OR {  590}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 4    and name HB2 ))
 OR {  590}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 5    and name HB3 ))
 OR {  590}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 15   and name HB3 ))
 OR {  590}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 32   and name HB3 ))
 OR {  590}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 41   and name HB3 ))
 OR {  590}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 41   and name HB2 ))
 OR {  590}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 41   and name HG3 ))
 OR {  590}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 50   and name HB3 ))
 OR {  590}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 50   and name HB2 ))
 OR {  590}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 56   and name HB3 ))
 OR {  590}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 68   and name HG2 ))
 OR {  590}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 68   and name HB2 ))
 OR {  590}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 70   and name HB3 ))
 OR {  590}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 77   and name HG2 ))
 OR {  590}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 77   and name HG3 ))
 OR {  590}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 77   and name HB2 ))
 OR {  590}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 85   and name HB3 ))
 OR {  590}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 86   and name HB3 ))
 ASSI {  591}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 26   and name HA  ))
      2.500     0.800     0.800 peak   591 spectrum    1 weight  0.10000E+01 volume  0.29205E-02 ppm1      0.680 ppm2      3.658 CV     1
 OR {  591}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 23   and name HA  ))
 OR {  591}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 17   and name HD3 ))
 OR {  591}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 5    and name HD2 ))
 OR {  591}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 53   and name HB3 ))
 OR {  591}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 56   and name HD2 ))
 OR {  591}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 59   and name HD2 ))
 OR {  591}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 60   and name HB2 ))
 OR {  591}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 88   and name HA2 ))
 OR {  591}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 88   and name HA3 ))
 ASSI {  592}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 3    and name HA  ))
      2.300     0.600     0.600 peak   592 spectrum    1 weight  0.10000E+01 volume  0.11882E-02 ppm1      0.676 ppm2      4.554 CV     1
 OR {  592}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 4    and name HA  ))
 OR {  592}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 14   and name HA  ))
 OR {  592}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 32   and name HA  ))
 OR {  592}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 12   and name HA  ))
 OR {  592}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 9    and name HA  ))
 OR {  592}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 10   and name HA  ))
 OR {  592}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 44   and name HA  ))
 OR {  592}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 45   and name HA  ))
 OR {  592}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 57   and name HA  ))
 OR {  592}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 73   and name HA  ))
 OR {  592}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 76   and name HA  ))
 ASSI {  593}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 12   and name HE21))
      2.200     0.600     0.600 peak   593 spectrum    1 weight  0.10000E+01 volume  0.12993E-02 ppm1      0.678 ppm2      6.878 CV     1
 OR {  593}
   (  segid "    " and resid 26   and name HG2%)
   (  segid "    " and resid 43   and name HD% )
 OR {  593}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 57   and name HE22))
 OR {  593}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 63   and name HE22))
 OR {  593}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 64   and name HD1 ))
 OR {  593}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 64   and name HH2 ))
 OR {  593}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 65   and name HZ  ))
 OR {  593}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 80   and name HD22))
 ASSI {  594}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 27   and name H   ))
      3.400     1.400     1.400 peak   594 spectrum    1 weight  0.10000E+01 volume  0.22433E-02 ppm1      0.677 ppm2      9.063 CV     1
 OR {  594}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 30   and name H   ))
 OR {  594}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 45   and name H   ))
 ASSI {  595}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 84   and name HD2%)
      1.900     0.400     0.400 peak   595 spectrum    1 weight  0.10000E+01 volume  0.20877E-01 ppm1      4.252 ppm2      0.768 CV     1
 OR {  595}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 84   and name HD1%)
 OR {  595}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  595}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  595}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  595}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  595}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  595}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  595}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  595}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  595}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  595}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  595}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  595}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 52   and name HG13))
 OR {  595}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  595}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  595}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  595}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  595}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  595}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  595}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 23   and name HB3 ))
 ASSI {  596}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 88   and name H   ))
      4.100     2.100     1.900 peak   596 spectrum    1 weight  0.10000E+01 volume  0.12826E-02 ppm1      4.283 ppm2      7.912 CV     1
 OR {  596}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 68   and name H   ))
 OR {  596}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 67   and name H   ))
 OR {  596}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 63   and name H   ))
 OR {  596}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 32   and name HE21))
 OR {  596}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 21   and name H   ))
 ASSI {  597}
   (( segid "    " and resid 83   and name HB2 ))
   (  segid "    " and resid 81   and name HE% )
      4.200     2.200     1.800 peak   597 spectrum    1 weight  0.10000E+01 volume  0.86618E-03 ppm1      1.960 ppm2      7.198 CV     1
 OR {  597}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 26   and name H   ))
 OR {  597}
   (( segid "    " and resid 87   and name HB3 ))
   (( segid "    " and resid 85   and name HE  ))
 OR {  597}
   (( segid "    " and resid 44   and name HB  ))
   (  segid "    " and resid 43   and name HE% )
 OR {  597}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 22   and name H   ))
 OR {  597}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 85   and name HE  ))
 OR {  597}
   (( segid "    " and resid 44   and name HB  ))
   (( segid "    " and resid 50   and name H   ))
 OR {  597}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 1    and name HD% )
 OR {  597}
   (( segid "    " and resid 87   and name HB3 ))
   (  segid "    " and resid 81   and name HE% )
 OR {  597}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 43   and name HE% )
 OR {  597}
   (( segid "    " and resid 44   and name HB  ))
   (  segid "    " and resid 1    and name HD% )
 OR {  597}
   (( segid "    " and resid 44   and name HB  ))
   (( segid "    " and resid 26   and name H   ))
 OR {  597}
   (( segid "    " and resid 44   and name HB  ))
   (( segid "    " and resid 22   and name H   ))
 OR {  597}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 50   and name H   ))
 OR {  597}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 70   and name HE  ))
 OR {  597}
   (( segid "    " and resid 44   and name HB  ))
   (  segid "    " and resid 65   and name HD% )
 OR {  597}
   (( segid "    " and resid 44   and name HB  ))
   (( segid "    " and resid 64   and name HZ2 ))
 OR {  597}
   (( segid "    " and resid 87   and name HB3 ))
   (( segid "    " and resid 70   and name HE  ))
 OR {  597}
   (( segid "    " and resid 83   and name HB2 ))
   (  segid "    " and resid 65   and name HD% )
 OR {  597}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 64   and name HZ2 ))
 OR {  597}
   (( segid "    " and resid 87   and name HB3 ))
   (  segid "    " and resid 65   and name HD% )
 OR {  597}
   (( segid "    " and resid 44   and name HB  ))
   (( segid "    " and resid 70   and name HE  ))
 OR {  597}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 65   and name HD% )
 OR {  597}
   (( segid "    " and resid 87   and name HB3 ))
   (( segid "    " and resid 64   and name HZ2 ))
 OR {  597}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 64   and name HZ2 ))
 OR {  597}
   (( segid "    " and resid 44   and name HB  ))
   (  segid "    " and resid 81   and name HE% )
 OR {  597}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 70   and name HE  ))
 OR {  597}
   (( segid "    " and resid 83   and name HB2 ))
   (  segid "    " and resid 43   and name HE% )
 OR {  597}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 50   and name H   ))
 OR {  597}
   (( segid "    " and resid 87   and name HB3 ))
   (  segid "    " and resid 43   and name HE% )
 OR {  597}
   (( segid "    " and resid 87   and name HB3 ))
   (( segid "    " and resid 50   and name H   ))
 OR {  597}
   (( segid "    " and resid 44   and name HB  ))
   (( segid "    " and resid 85   and name HE  ))
 OR {  597}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 81   and name HE% )
 OR {  597}
   (( segid "    " and resid 83   and name HB2 ))
   (  segid "    " and resid 1    and name HD% )
 OR {  597}
   (( segid "    " and resid 87   and name HB3 ))
   (  segid "    " and resid 1    and name HD% )
 OR {  597}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 26   and name H   ))
 OR {  597}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 22   and name H   ))
 OR {  597}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 85   and name HE  ))
 OR {  597}
   (( segid "    " and resid 87   and name HB3 ))
   (( segid "    " and resid 26   and name H   ))
 OR {  597}
   (( segid "    " and resid 87   and name HB3 ))
   (( segid "    " and resid 22   and name H   ))
 ASSI {  602}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 25   and name HB3 ))
      2.500     0.800     0.800 peak   602 spectrum    1 weight  0.10000E+01 volume  0.39645E-02 ppm1      1.387 ppm2      2.003 CV     1
 OR {  602}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 25   and name HB2 ))
 OR {  602}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 28   and name HB2 ))
 OR {  602}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 30   and name HB2 ))
 OR {  602}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 17   and name HG3 ))
 OR {  602}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 4    and name HG3 ))
 OR {  602}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {  602}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 33   and name HB2 ))
 OR {  602}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 12   and name HB3 ))
 OR {  602}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 56   and name HB2 ))
 OR {  602}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 57   and name HB3 ))
 OR {  602}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 59   and name HG3 ))
 OR {  602}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 59   and name HG2 ))
 OR {  602}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 59   and name HB2 ))
 OR {  602}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 63   and name HB2 ))
 OR {  602}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {  602}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 66   and name HB3 ))
 OR {  602}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 69   and name HB3 ))
 OR {  602}
   (( segid "    " and resid 25   and name HG2 ))
   (  segid "    " and resid 83   and name HE% )
 OR {  602}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 83   and name HB3 ))
 OR {  602}
   (( segid "    " and resid 25   and name HG2 ))
   (  segid "    " and resid 87   and name HE% )
 OR {  602}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 83   and name HB2 ))
 OR {  602}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 87   and name HB2 ))
 OR {  602}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 87   and name HB3 ))
 ASSI {  603}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 22   and name HA  ))
      2.300     0.700     0.700 peak   603 spectrum    1 weight  0.10000E+01 volume  0.10105E-02 ppm1      1.577 ppm2      3.970 CV     1
 OR {  603}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 36   and name HA3 ))
 OR {  603}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 48   and name HA  ))
 OR {  603}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 59   and name HD3 ))
 OR {  603}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 60   and name HB3 ))
 OR {  603}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 61   and name HA  ))
 OR {  603}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 62   and name HB2 ))
 OR {  603}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 62   and name HB3 ))
 OR {  603}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 66   and name HA  ))
 OR {  603}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 68   and name HA  ))
 OR {  603}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 69   and name HA  ))
 OR {  603}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 74   and name HA3 ))
 OR {  603}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 74   and name HA2 ))
 ASSI {  604}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 22   and name HA  ))
      2.300     0.700     0.700 peak   604 spectrum    1 weight  0.10000E+01 volume  0.10550E-02 ppm1      1.384 ppm2      3.971 CV     1
 OR {  604}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 36   and name HA3 ))
 OR {  604}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 48   and name HA  ))
 OR {  604}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 59   and name HD3 ))
 OR {  604}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 60   and name HB3 ))
 OR {  604}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 61   and name HA  ))
 OR {  604}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 62   and name HB2 ))
 OR {  604}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 62   and name HB3 ))
 OR {  604}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 66   and name HA  ))
 OR {  604}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 68   and name HA  ))
 OR {  604}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 69   and name HA  ))
 OR {  604}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 74   and name HA3 ))
 OR {  604}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 74   and name HA2 ))
 ASSI {  605}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 52   and name HD1%)
      3.200     1.300     1.300 peak   605 spectrum    1 weight  0.10000E+01 volume  0.15936E-02 ppm1      7.172 ppm2      0.475 CV     1
 OR {  605}
   (  segid "    " and resid 65   and name HD% )
   (  segid "    " and resid 61   and name HD1%)
 OR {  605}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 29   and name HG2%)
 OR {  605}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 23   and name HD1%)
 OR {  605}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 61   and name HD1%)
 OR {  605}
   (  segid "    " and resid 65   and name HD% )
   (  segid "    " and resid 52   and name HD1%)
 OR {  605}
   (  segid "    " and resid 65   and name HD% )
   (  segid "    " and resid 29   and name HG2%)
 OR {  605}
   (  segid "    " and resid 81   and name HE% )
   (  segid "    " and resid 61   and name HD1%)
 OR {  605}
   (  segid "    " and resid 65   and name HD% )
   (  segid "    " and resid 23   and name HD1%)
 OR {  605}
   (  segid "    " and resid 81   and name HE% )
   (  segid "    " and resid 52   and name HD1%)
 OR {  605}
   (  segid "    " and resid 81   and name HE% )
   (  segid "    " and resid 29   and name HG2%)
 OR {  605}
   (  segid "    " and resid 81   and name HE% )
   (  segid "    " and resid 23   and name HD1%)
 ASSI {  606}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 44   and name HG1%)
      3.700     1.700     1.700 peak   606 spectrum    1 weight  0.10000E+01 volume  0.20156E-02 ppm1      7.178 ppm2      0.351 CV     1
 OR {  606}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 31   and name HD2%)
 OR {  606}
   (  segid "    " and resid 65   and name HD% )
   (  segid "    " and resid 61   and name HD2%)
 OR {  606}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 61   and name HD2%)
 OR {  606}
   (  segid "    " and resid 65   and name HD% )
   (  segid "    " and resid 44   and name HG1%)
 OR {  606}
   (  segid "    " and resid 65   and name HD% )
   (  segid "    " and resid 31   and name HD2%)
 OR {  606}
   (  segid "    " and resid 81   and name HE% )
   (  segid "    " and resid 61   and name HD2%)
 OR {  606}
   (  segid "    " and resid 81   and name HE% )
   (  segid "    " and resid 44   and name HG1%)
 OR {  606}
   (  segid "    " and resid 81   and name HE% )
   (  segid "    " and resid 31   and name HD2%)
 ASSI {  607}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 52   and name HG12))
      3.600     1.600     1.600 peak   607 spectrum    1 weight  0.10000E+01 volume  0.12327E-02 ppm1      7.177 ppm2      1.230 CV     1
 OR {  607}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 45   and name HB2 ))
 OR {  607}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 54   and name HG2%)
 OR {  607}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 34   and name HB% )
 OR {  607}
   (  segid "    " and resid 81   and name HE% )
   (( segid "    " and resid 79   and name HB3 ))
 OR {  607}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 50   and name HG3 ))
 OR {  607}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 54   and name HG12))
 OR {  607}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name HB3 ))
 OR {  607}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 54   and name HG13))
 OR {  607}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name HG  ))
 OR {  607}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 31   and name HB3 ))
 OR {  607}
   (  segid "    " and resid 65   and name HD% )
   (( segid "    " and resid 61   and name HG  ))
 OR {  607}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 16   and name HG3 ))
 OR {  607}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 16   and name HB3 ))
 OR {  607}
   (  segid "    " and resid 65   and name HD% )
   (( segid "    " and resid 71   and name HG2 ))
 OR {  607}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 16   and name HG2 ))
 OR {  607}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 18   and name HB3 ))
 OR {  607}
   (  segid "    " and resid 81   and name HE% )
   (( segid "    " and resid 71   and name HG2 ))
 OR {  607}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 61   and name HG  ))
 OR {  607}
   (  segid "    " and resid 65   and name HD% )
   (  segid "    " and resid 54   and name HG2%)
 OR {  607}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 21   and name HG3 ))
 OR {  607}
   (  segid "    " and resid 65   and name HD% )
   (( segid "    " and resid 54   and name HG13))
 OR {  607}
   (  segid "    " and resid 65   and name HD% )
   (( segid "    " and resid 54   and name HG12))
 OR {  607}
   (  segid "    " and resid 65   and name HD% )
   (( segid "    " and resid 50   and name HG3 ))
 OR {  607}
   (  segid "    " and resid 65   and name HD% )
   (( segid "    " and resid 45   and name HB2 ))
 OR {  607}
   (  segid "    " and resid 65   and name HD% )
   (( segid "    " and resid 52   and name HG12))
 OR {  607}
   (  segid "    " and resid 65   and name HD% )
   (( segid "    " and resid 79   and name HB3 ))
 OR {  607}
   (  segid "    " and resid 65   and name HD% )
   (( segid "    " and resid 40   and name HB3 ))
 OR {  607}
   (  segid "    " and resid 65   and name HD% )
   (  segid "    " and resid 34   and name HB% )
 OR {  607}
   (  segid "    " and resid 65   and name HD% )
   (( segid "    " and resid 40   and name HG  ))
 OR {  607}
   (  segid "    " and resid 65   and name HD% )
   (( segid "    " and resid 31   and name HB3 ))
 OR {  607}
   (  segid "    " and resid 65   and name HD% )
   (( segid "    " and resid 16   and name HB3 ))
 OR {  607}
   (  segid "    " and resid 65   and name HD% )
   (( segid "    " and resid 16   and name HG3 ))
 OR {  607}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 71   and name HG2 ))
 OR {  607}
   (  segid "    " and resid 65   and name HD% )
   (( segid "    " and resid 16   and name HG2 ))
 OR {  607}
   (  segid "    " and resid 81   and name HE% )
   (( segid "    " and resid 61   and name HG  ))
 OR {  607}
   (  segid "    " and resid 65   and name HD% )
   (( segid "    " and resid 18   and name HB3 ))
 OR {  607}
   (  segid "    " and resid 81   and name HE% )
   (  segid "    " and resid 54   and name HG2%)
 OR {  607}
   (  segid "    " and resid 65   and name HD% )
   (( segid "    " and resid 21   and name HG3 ))
 OR {  607}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 79   and name HB3 ))
 OR {  607}
   (  segid "    " and resid 81   and name HE% )
   (( segid "    " and resid 54   and name HG13))
 OR {  607}
   (  segid "    " and resid 81   and name HE% )
   (( segid "    " and resid 54   and name HG12))
 OR {  607}
   (  segid "    " and resid 81   and name HE% )
   (( segid "    " and resid 50   and name HG3 ))
 OR {  607}
   (  segid "    " and resid 81   and name HE% )
   (( segid "    " and resid 45   and name HB2 ))
 OR {  607}
   (  segid "    " and resid 81   and name HE% )
   (( segid "    " and resid 52   and name HG12))
 OR {  607}
   (  segid "    " and resid 81   and name HE% )
   (  segid "    " and resid 34   and name HB% )
 OR {  607}
   (  segid "    " and resid 81   and name HE% )
   (( segid "    " and resid 40   and name HB3 ))
 OR {  607}
   (  segid "    " and resid 81   and name HE% )
   (( segid "    " and resid 40   and name HG  ))
 OR {  607}
   (  segid "    " and resid 81   and name HE% )
   (( segid "    " and resid 31   and name HB3 ))
 OR {  607}
   (  segid "    " and resid 81   and name HE% )
   (( segid "    " and resid 16   and name HB3 ))
 OR {  607}
   (  segid "    " and resid 81   and name HE% )
   (( segid "    " and resid 16   and name HG3 ))
 OR {  607}
   (  segid "    " and resid 81   and name HE% )
   (( segid "    " and resid 16   and name HG2 ))
 OR {  607}
   (  segid "    " and resid 81   and name HE% )
   (( segid "    " and resid 18   and name HB3 ))
 OR {  607}
   (  segid "    " and resid 81   and name HE% )
   (( segid "    " and resid 21   and name HG3 ))
 ASSI {  608}
   (  segid "    " and resid 1    and name HD% )
   (( segid "    " and resid 1    and name HB2 ))
      2.400     0.700     0.700 peak   608 spectrum    1 weight  0.10000E+01 volume  0.66297E-02 ppm1      7.154 ppm2      3.089 CV     1
 OR {  608}
   (  segid "    " and resid 1    and name HD% )
   (( segid "    " and resid 1    and name HB3 ))
 OR {  608}
   (  segid "    " and resid 1    and name HD% )
   (( segid "    " and resid 24   and name HD2 ))
 OR {  608}
   (  segid "    " and resid 1    and name HD% )
   (( segid "    " and resid 24   and name HD3 ))
 OR {  608}
   (  segid "    " and resid 1    and name HD% )
   (( segid "    " and resid 14   and name HB3 ))
 OR {  608}
   (  segid "    " and resid 1    and name HD% )
   (( segid "    " and resid 14   and name HB2 ))
 OR {  608}
   (  segid "    " and resid 1    and name HD% )
   (( segid "    " and resid 39   and name HB2 ))
 OR {  608}
   (  segid "    " and resid 1    and name HD% )
   (( segid "    " and resid 50   and name HD3 ))
 OR {  608}
   (  segid "    " and resid 1    and name HD% )
   (( segid "    " and resid 46   and name HB3 ))
 OR {  608}
   (  segid "    " and resid 1    and name HD% )
   (( segid "    " and resid 50   and name HD2 ))
 OR {  608}
   (  segid "    " and resid 1    and name HD% )
   (( segid "    " and resid 58   and name HB3 ))
 OR {  608}
   (  segid "    " and resid 1    and name HD% )
   (( segid "    " and resid 64   and name HB3 ))
 OR {  608}
   (  segid "    " and resid 1    and name HD% )
   (( segid "    " and resid 64   and name HB2 ))
 OR {  608}
   (  segid "    " and resid 1    and name HD% )
   (( segid "    " and resid 65   and name HB2 ))
 OR {  608}
   (  segid "    " and resid 1    and name HD% )
   (( segid "    " and resid 67   and name HB3 ))
 OR {  608}
   (  segid "    " and resid 1    and name HD% )
   (( segid "    " and resid 70   and name HD2 ))
 OR {  608}
   (  segid "    " and resid 1    and name HD% )
   (( segid "    " and resid 70   and name HD3 ))
 OR {  608}
   (  segid "    " and resid 1    and name HD% )
   (( segid "    " and resid 73   and name HB2 ))
 OR {  608}
   (  segid "    " and resid 1    and name HD% )
   (( segid "    " and resid 81   and name HB2 ))
 OR {  608}
   (  segid "    " and resid 1    and name HD% )
   (( segid "    " and resid 85   and name HD3 ))
 OR {  608}
   (  segid "    " and resid 1    and name HD% )
   (( segid "    " and resid 85   and name HD2 ))
 ASSI {  609}
   (  segid "    " and resid 1    and name HD% )
   (( segid "    " and resid 18   and name HB2 ))
      4.300     2.300     1.700 peak   609 spectrum    1 weight  0.10000E+01 volume  0.11327E-02 ppm1      7.153 ppm2      1.454 CV     1
 OR {  609}
   (  segid "    " and resid 1    and name HD% )
   (( segid "    " and resid 2    and name HB2 ))
 OR {  609}
   (  segid "    " and resid 1    and name HD% )
   (( segid "    " and resid 2    and name HG  ))
 OR {  609}
   (  segid "    " and resid 1    and name HD% )
   (( segid "    " and resid 2    and name HB3 ))
 OR {  609}
   (  segid "    " and resid 1    and name HD% )
   (( segid "    " and resid 3    and name HB2 ))
 OR {  609}
   (  segid "    " and resid 1    and name HD% )
   (( segid "    " and resid 3    and name HB3 ))
 OR {  609}
   (  segid "    " and resid 1    and name HD% )
   (( segid "    " and resid 21   and name HG2 ))
 OR {  609}
   (  segid "    " and resid 1    and name HD% )
   (( segid "    " and resid 23   and name HB2 ))
 OR {  609}
   (  segid "    " and resid 1    and name HD% )
   (( segid "    " and resid 15   and name HB2 ))
 OR {  609}
   (  segid "    " and resid 1    and name HD% )
   (( segid "    " and resid 23   and name HG  ))
 OR {  609}
   (  segid "    " and resid 1    and name HD% )
   (( segid "    " and resid 27   and name HG12))
 OR {  609}
   (  segid "    " and resid 1    and name HD% )
   (( segid "    " and resid 22   and name HG  ))
 OR {  609}
   (  segid "    " and resid 1    and name HD% )
   (( segid "    " and resid 15   and name HG3 ))
 OR {  609}
   (  segid "    " and resid 1    and name HD% )
   (( segid "    " and resid 15   and name HG2 ))
 OR {  609}
   (  segid "    " and resid 1    and name HD% )
   (( segid "    " and resid 25   and name HG2 ))
 OR {  609}
   (  segid "    " and resid 65   and name HD% )
   (( segid "    " and resid 72   and name HB2 ))
 OR {  609}
   (  segid "    " and resid 65   and name HD% )
   (( segid "    " and resid 72   and name HB3 ))
 OR {  609}
   (  segid "    " and resid 65   and name HD% )
   (( segid "    " and resid 72   and name HG  ))
 OR {  609}
   (  segid "    " and resid 1    and name HD% )
   (( segid "    " and resid 40   and name HB2 ))
 OR {  609}
   (  segid "    " and resid 65   and name HD% )
   (  segid "    " and resid 48   and name HB% )
 OR {  609}
   (  segid "    " and resid 1    and name HD% )
   (( segid "    " and resid 52   and name HB  ))
 OR {  609}
   (  segid "    " and resid 65   and name HD% )
   (( segid "    " and resid 76   and name HB3 ))
 OR {  609}
   (  segid "    " and resid 1    and name HD% )
   (  segid "    " and resid 48   and name HB% )
 OR {  609}
   (  segid "    " and resid 65   and name HD% )
   (( segid "    " and resid 50   and name HG2 ))
 OR {  609}
   (  segid "    " and resid 1    and name HD% )
   (( segid "    " and resid 50   and name HG2 ))
 OR {  609}
   (  segid "    " and resid 65   and name HD% )
   (( segid "    " and resid 52   and name HB  ))
 OR {  609}
   (  segid "    " and resid 65   and name HD% )
   (( segid "    " and resid 79   and name HG  ))
 OR {  609}
   (  segid "    " and resid 65   and name HD% )
   (( segid "    " and resid 79   and name HB2 ))
 OR {  609}
   (  segid "    " and resid 65   and name HD% )
   (( segid "    " and resid 40   and name HB2 ))
 OR {  609}
   (  segid "    " and resid 65   and name HD% )
   (( segid "    " and resid 84   and name HB2 ))
 OR {  609}
   (  segid "    " and resid 65   and name HD% )
   (( segid "    " and resid 15   and name HG2 ))
 OR {  609}
   (  segid "    " and resid 65   and name HD% )
   (( segid "    " and resid 15   and name HB2 ))
 OR {  609}
   (  segid "    " and resid 65   and name HD% )
   (( segid "    " and resid 15   and name HG3 ))
 OR {  609}
   (  segid "    " and resid 65   and name HD% )
   (( segid "    " and resid 3    and name HB3 ))
 OR {  609}
   (  segid "    " and resid 65   and name HD% )
   (( segid "    " and resid 3    and name HB2 ))
 OR {  609}
   (  segid "    " and resid 65   and name HD% )
   (( segid "    " and resid 2    and name HB3 ))
 OR {  609}
   (  segid "    " and resid 65   and name HD% )
   (( segid "    " and resid 27   and name HG12))
 OR {  609}
   (  segid "    " and resid 65   and name HD% )
   (( segid "    " and resid 2    and name HB2 ))
 OR {  609}
   (  segid "    " and resid 65   and name HD% )
   (( segid "    " and resid 2    and name HG  ))
 OR {  609}
   (  segid "    " and resid 65   and name HD% )
   (( segid "    " and resid 18   and name HB2 ))
 OR {  609}
   (  segid "    " and resid 65   and name HD% )
   (( segid "    " and resid 25   and name HG2 ))
 OR {  609}
   (  segid "    " and resid 65   and name HD% )
   (( segid "    " and resid 23   and name HB2 ))
 OR {  609}
   (  segid "    " and resid 65   and name HD% )
   (( segid "    " and resid 23   and name HG  ))
 OR {  609}
   (  segid "    " and resid 65   and name HD% )
   (( segid "    " and resid 22   and name HG  ))
 OR {  609}
   (  segid "    " and resid 65   and name HD% )
   (( segid "    " and resid 21   and name HG2 ))
 OR {  609}
   (  segid "    " and resid 1    and name HD% )
   (( segid "    " and resid 72   and name HB2 ))
 OR {  609}
   (  segid "    " and resid 1    and name HD% )
   (( segid "    " and resid 72   and name HB3 ))
 OR {  609}
   (  segid "    " and resid 1    and name HD% )
   (( segid "    " and resid 72   and name HG  ))
 OR {  609}
   (  segid "    " and resid 1    and name HD% )
   (( segid "    " and resid 76   and name HB3 ))
 OR {  609}
   (  segid "    " and resid 1    and name HD% )
   (( segid "    " and resid 79   and name HG  ))
 OR {  609}
   (  segid "    " and resid 1    and name HD% )
   (( segid "    " and resid 79   and name HB2 ))
 OR {  609}
   (  segid "    " and resid 1    and name HD% )
   (( segid "    " and resid 84   and name HB2 ))
 ASSI {  610}
   (  segid "    " and resid 1    and name HE% )
   (( segid "    " and resid 1    and name HB2 ))
      4.100     2.100     1.900 peak   610 spectrum    1 weight  0.10000E+01 volume  0.14159E-02 ppm1      7.284 ppm2      3.088 CV     1
 OR {  610}
   (  segid "    " and resid 1    and name HE% )
   (( segid "    " and resid 1    and name HB3 ))
 OR {  610}
   (  segid "    " and resid 1    and name HE% )
   (( segid "    " and resid 24   and name HD2 ))
 OR {  610}
   (  segid "    " and resid 1    and name HE% )
   (( segid "    " and resid 24   and name HD3 ))
 OR {  610}
   (  segid "    " and resid 1    and name HE% )
   (( segid "    " and resid 14   and name HB3 ))
 OR {  610}
   (  segid "    " and resid 1    and name HE% )
   (( segid "    " and resid 14   and name HB2 ))
 OR {  610}
   (  segid "    " and resid 1    and name HE% )
   (( segid "    " and resid 39   and name HB2 ))
 OR {  610}
   (  segid "    " and resid 1    and name HE% )
   (( segid "    " and resid 50   and name HD3 ))
 OR {  610}
   (  segid "    " and resid 1    and name HE% )
   (( segid "    " and resid 46   and name HB3 ))
 OR {  610}
   (  segid "    " and resid 1    and name HE% )
   (( segid "    " and resid 50   and name HD2 ))
 OR {  610}
   (  segid "    " and resid 1    and name HE% )
   (( segid "    " and resid 58   and name HB3 ))
 OR {  610}
   (  segid "    " and resid 1    and name HE% )
   (( segid "    " and resid 64   and name HB3 ))
 OR {  610}
   (  segid "    " and resid 1    and name HE% )
   (( segid "    " and resid 64   and name HB2 ))
 OR {  610}
   (  segid "    " and resid 1    and name HE% )
   (( segid "    " and resid 65   and name HB2 ))
 OR {  610}
   (  segid "    " and resid 1    and name HE% )
   (( segid "    " and resid 67   and name HB3 ))
 OR {  610}
   (  segid "    " and resid 1    and name HE% )
   (( segid "    " and resid 70   and name HD2 ))
 OR {  610}
   (  segid "    " and resid 1    and name HE% )
   (( segid "    " and resid 70   and name HD3 ))
 OR {  610}
   (  segid "    " and resid 1    and name HE% )
   (( segid "    " and resid 73   and name HB2 ))
 OR {  610}
   (  segid "    " and resid 1    and name HE% )
   (( segid "    " and resid 81   and name HB2 ))
 OR {  610}
   (  segid "    " and resid 1    and name HE% )
   (( segid "    " and resid 85   and name HD3 ))
 OR {  610}
   (  segid "    " and resid 1    and name HE% )
   (( segid "    " and resid 85   and name HD2 ))
 ASSI {  611}
   (( segid "    " and resid 73   and name HD2 ))
   (  segid "    " and resid 72   and name HD1%)
      2.100     0.500     0.500 peak   611 spectrum    1 weight  0.10000E+01 volume  0.23154E-02 ppm1      7.112 ppm2      0.753 CV     1
 OR {  611}
   (( segid "    " and resid 73   and name HD2 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  611}
   (( segid "    " and resid 39   and name HD2 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  611}
   (( segid "    " and resid 39   and name HD2 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  611}
   (( segid "    " and resid 39   and name HD2 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  611}
   (( segid "    " and resid 73   and name HD2 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  611}
   (( segid "    " and resid 73   and name HD2 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  611}
   (( segid "    " and resid 39   and name HD2 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  611}
   (( segid "    " and resid 39   and name HD2 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  611}
   (( segid "    " and resid 39   and name HD2 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  611}
   (( segid "    " and resid 39   and name HD2 ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  611}
   (( segid "    " and resid 39   and name HD2 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  611}
   (( segid "    " and resid 39   and name HD2 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  611}
   (( segid "    " and resid 39   and name HD2 ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  611}
   (( segid "    " and resid 73   and name HD2 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  611}
   (( segid "    " and resid 39   and name HD2 ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  611}
   (( segid "    " and resid 39   and name HD2 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  611}
   (( segid "    " and resid 73   and name HD2 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  611}
   (( segid "    " and resid 73   and name HD2 ))
   (  segid "    " and resid 84   and name HD1%)
 OR {  611}
   (( segid "    " and resid 73   and name HD2 ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  611}
   (( segid "    " and resid 73   and name HD2 ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  611}
   (( segid "    " and resid 73   and name HD2 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  611}
   (( segid "    " and resid 73   and name HD2 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  611}
   (( segid "    " and resid 73   and name HD2 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  611}
   (( segid "    " and resid 73   and name HD2 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  611}
   (( segid "    " and resid 39   and name HD2 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  611}
   (( segid "    " and resid 39   and name HD2 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  611}
   (( segid "    " and resid 73   and name HD2 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  611}
   (( segid "    " and resid 39   and name HD2 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  611}
   (( segid "    " and resid 39   and name HD2 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  611}
   (( segid "    " and resid 73   and name HD2 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  611}
   (( segid "    " and resid 73   and name HD2 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  611}
   (( segid "    " and resid 73   and name HD2 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  611}
   (( segid "    " and resid 73   and name HD2 ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  611}
   (( segid "    " and resid 39   and name HD2 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  611}
   (( segid "    " and resid 73   and name HD2 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  611}
   (( segid "    " and resid 39   and name HD2 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  611}
   (( segid "    " and resid 39   and name HD2 ))
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  612}
   (( segid "    " and resid 64   and name HZ2 ))
   (  segid "    " and resid 72   and name HD2%)
      2.200     0.600     0.600 peak   612 spectrum    1 weight  0.10000E+01 volume  0.13382E-02 ppm1      7.226 ppm2      0.838 CV     1
 OR {  612}
   (( segid "    " and resid 64   and name HZ2 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  612}
   (( segid "    " and resid 64   and name HZ2 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  612}
   (( segid "    " and resid 64   and name HZ2 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  612}
   (( segid "    " and resid 64   and name HZ2 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  612}
   (( segid "    " and resid 64   and name HZ2 ))
   (( segid "    " and resid 52   and name HG13))
 OR {  612}
   (( segid "    " and resid 64   and name HZ2 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  612}
   (( segid "    " and resid 64   and name HZ2 ))
   (  segid "    " and resid 13   and name HD1%)
 OR {  612}
   (( segid "    " and resid 64   and name HZ2 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  612}
   (( segid "    " and resid 64   and name HZ2 ))
   (  segid "    " and resid 84   and name HD1%)
 OR {  612}
   (( segid "    " and resid 64   and name HZ2 ))
   (  segid "    " and resid 27   and name HG2%)
 OR {  612}
   (( segid "    " and resid 64   and name HZ2 ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  612}
   (( segid "    " and resid 64   and name HZ2 ))
   (  segid "    " and resid 3    and name HD1%)
 OR {  612}
   (( segid "    " and resid 64   and name HZ2 ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  612}
   (( segid "    " and resid 64   and name HZ2 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  612}
   (( segid "    " and resid 64   and name HZ2 ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  612}
   (( segid "    " and resid 64   and name HZ2 ))
   (( segid "    " and resid 23   and name HB3 ))
 ASSI {  613}
   (( segid "    " and resid 64   and name HH2 ))
   (  segid "    " and resid 72   and name HD2%)
      2.300     0.600     0.600 peak   613 spectrum    1 weight  0.10000E+01 volume  0.12049E-02 ppm1      6.885 ppm2      0.837 CV     1
 OR {  613}
   (( segid "    " and resid 64   and name HH2 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  613}
   (( segid "    " and resid 64   and name HH2 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  613}
   (( segid "    " and resid 64   and name HH2 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  613}
   (( segid "    " and resid 64   and name HH2 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  613}
   (( segid "    " and resid 64   and name HH2 ))
   (( segid "    " and resid 52   and name HG13))
 OR {  613}
   (( segid "    " and resid 64   and name HH2 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  613}
   (( segid "    " and resid 64   and name HH2 ))
   (  segid "    " and resid 13   and name HD1%)
 OR {  613}
   (( segid "    " and resid 64   and name HH2 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  613}
   (( segid "    " and resid 64   and name HH2 ))
   (  segid "    " and resid 84   and name HD1%)
 OR {  613}
   (( segid "    " and resid 64   and name HH2 ))
   (  segid "    " and resid 27   and name HG2%)
 OR {  613}
   (( segid "    " and resid 64   and name HH2 ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  613}
   (( segid "    " and resid 64   and name HH2 ))
   (  segid "    " and resid 3    and name HD1%)
 OR {  613}
   (( segid "    " and resid 64   and name HH2 ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  613}
   (( segid "    " and resid 64   and name HH2 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  613}
   (( segid "    " and resid 64   and name HH2 ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  613}
   (( segid "    " and resid 64   and name HH2 ))
   (( segid "    " and resid 23   and name HB3 ))
 ASSI {  614}
   (( segid "    " and resid 64   and name HH2 ))
   (  segid "    " and resid 72   and name HD1%)
      2.000     0.500     0.500 peak   614 spectrum    1 weight  0.10000E+01 volume  0.24208E-02 ppm1      6.888 ppm2      0.705 CV     1
 OR {  614}
   (( segid "    " and resid 64   and name HH2 ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  614}
   (( segid "    " and resid 64   and name HH2 ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  614}
   (( segid "    " and resid 64   and name HH2 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  614}
   (( segid "    " and resid 64   and name HH2 ))
   (  segid "    " and resid 79   and name HD1%)
 OR {  614}
   (( segid "    " and resid 64   and name HH2 ))
   (  segid "    " and resid 52   and name HG2%)
 OR {  614}
   (( segid "    " and resid 64   and name HH2 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  614}
   (( segid "    " and resid 64   and name HH2 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  614}
   (( segid "    " and resid 64   and name HH2 ))
   (  segid "    " and resid 31   and name HD1%)
 OR {  614}
   (( segid "    " and resid 64   and name HH2 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  614}
   (( segid "    " and resid 64   and name HH2 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  614}
   (( segid "    " and resid 64   and name HH2 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  614}
   (( segid "    " and resid 64   and name HH2 ))
   (  segid "    " and resid 26   and name HG2%)
 OR {  614}
   (( segid "    " and resid 64   and name HH2 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  614}
   (( segid "    " and resid 64   and name HH2 ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  614}
   (( segid "    " and resid 64   and name HH2 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  614}
   (( segid "    " and resid 64   and name HH2 ))
   (  segid "    " and resid 22   and name HD2%)
 ASSI {  615}
   (( segid "    " and resid 64   and name HZ3 ))
   (  segid "    " and resid 72   and name HD1%)
      2.200     0.600     0.600 peak   615 spectrum    1 weight  0.10000E+01 volume  0.13326E-02 ppm1      6.683 ppm2      0.704 CV     1
 OR {  615}
   (( segid "    " and resid 64   and name HZ3 ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  615}
   (( segid "    " and resid 64   and name HZ3 ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  615}
   (( segid "    " and resid 64   and name HZ3 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  615}
   (( segid "    " and resid 64   and name HZ3 ))
   (  segid "    " and resid 52   and name HG2%)
 OR {  615}
   (( segid "    " and resid 64   and name HZ3 ))
   (  segid "    " and resid 79   and name HD1%)
 OR {  615}
   (( segid "    " and resid 64   and name HZ3 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  615}
   (( segid "    " and resid 64   and name HZ3 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  615}
   (( segid "    " and resid 64   and name HZ3 ))
   (  segid "    " and resid 31   and name HD1%)
 OR {  615}
   (( segid "    " and resid 64   and name HZ3 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  615}
   (( segid "    " and resid 64   and name HZ3 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  615}
   (( segid "    " and resid 64   and name HZ3 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  615}
   (( segid "    " and resid 64   and name HZ3 ))
   (  segid "    " and resid 26   and name HG2%)
 OR {  615}
   (( segid "    " and resid 64   and name HZ3 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  615}
   (( segid "    " and resid 64   and name HZ3 ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  615}
   (( segid "    " and resid 64   and name HZ3 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  615}
   (( segid "    " and resid 64   and name HZ3 ))
   (  segid "    " and resid 22   and name HD2%)
 ASSI {  616}
   (  segid "    " and resid 14   and name HD% )
   (( segid "    " and resid 31   and name HB3 ))
      4.000     2.000     2.000 peak   616 spectrum    1 weight  0.10000E+01 volume  0.16380E-02 ppm1      7.019 ppm2      1.217 CV     1
 OR {  616}
   (  segid "    " and resid 14   and name HD% )
   (( segid "    " and resid 16   and name HB3 ))
 OR {  616}
   (  segid "    " and resid 14   and name HD% )
   (( segid "    " and resid 16   and name HG3 ))
 OR {  616}
   (  segid "    " and resid 14   and name HD% )
   (( segid "    " and resid 16   and name HG2 ))
 OR {  616}
   (  segid "    " and resid 14   and name HD% )
   (  segid "    " and resid 7    and name HG2%)
 OR {  616}
   (  segid "    " and resid 14   and name HD% )
   (  segid "    " and resid 34   and name HB% )
 OR {  616}
   (  segid "    " and resid 14   and name HD% )
   (( segid "    " and resid 40   and name HG  ))
 OR {  616}
   (  segid "    " and resid 14   and name HD% )
   (( segid "    " and resid 18   and name HB3 ))
 OR {  616}
   (  segid "    " and resid 14   and name HD% )
   (( segid "    " and resid 40   and name HB3 ))
 OR {  616}
   (  segid "    " and resid 14   and name HD% )
   (( segid "    " and resid 52   and name HG12))
 OR {  616}
   (  segid "    " and resid 14   and name HD% )
   (  segid "    " and resid 54   and name HG2%)
 OR {  616}
   (  segid "    " and resid 14   and name HD% )
   (( segid "    " and resid 50   and name HG3 ))
 OR {  616}
   (  segid "    " and resid 14   and name HD% )
   (( segid "    " and resid 54   and name HG12))
 OR {  616}
   (  segid "    " and resid 14   and name HD% )
   (( segid "    " and resid 54   and name HG13))
 OR {  616}
   (  segid "    " and resid 14   and name HD% )
   (( segid "    " and resid 61   and name HG  ))
 OR {  616}
   (  segid "    " and resid 14   and name HD% )
   (( segid "    " and resid 71   and name HG2 ))
 OR {  616}
   (  segid "    " and resid 14   and name HD% )
   (( segid "    " and resid 79   and name HB3 ))
 ASSI {  617}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 31   and name HA  ))
      3.500     1.600     1.600 peak   617 spectrum    1 weight  0.10000E+01 volume  0.13659E-02 ppm1      6.677 ppm2      4.433 CV     1
 OR {  617}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 6    and name HA  ))
 OR {  617}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 32   and name HA  ))
 OR {  617}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 5    and name HA  ))
 OR {  617}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 17   and name HA  ))
 OR {  617}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 18   and name HA  ))
 OR {  617}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 12   and name HA  ))
 OR {  617}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 9    and name HA  ))
 OR {  617}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 40   and name HA  ))
 OR {  617}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 42   and name HA  ))
 OR {  617}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 52   and name HA  ))
 OR {  617}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 49   and name HA  ))
 OR {  617}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 57   and name HA  ))
 OR {  617}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 59   and name HA  ))
 OR {  617}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 67   and name HA  ))
 OR {  617}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 81   and name HA  ))
 OR {  617}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 83   and name HA  ))
 OR {  617}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 87   and name HA  ))
 ASSI {  618}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 31   and name HB2 ))
      3.200     1.200     1.200 peak   618 spectrum    1 weight  0.10000E+01 volume  0.14270E-02 ppm1      6.674 ppm2      1.560 CV     1
 OR {  618}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 16   and name HD2 ))
 OR {  618}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 16   and name HD3 ))
 OR {  618}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 13   and name HG  ))
 OR {  618}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 3    and name HG  ))
 OR {  618}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 25   and name HG3 ))
 OR {  618}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 25   and name HD2 ))
 OR {  618}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 22   and name HB2 ))
 OR {  618}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 22   and name HB3 ))
 OR {  618}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 21   and name HD2 ))
 OR {  618}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 52   and name HB  ))
 OR {  618}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 21   and name HD3 ))
 OR {  618}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 45   and name HG  ))
 OR {  618}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 45   and name HB3 ))
 OR {  618}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 47   and name HG  ))
 OR {  618}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 61   and name HB3 ))
 OR {  618}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 70   and name HG3 ))
 OR {  618}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 70   and name HG2 ))
 OR {  618}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 71   and name HD2 ))
 OR {  618}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 71   and name HD3 ))
 OR {  618}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 72   and name HB3 ))
 OR {  618}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 76   and name HB2 ))
 OR {  618}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 76   and name HG  ))
 OR {  618}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 78   and name HD2 ))
 OR {  618}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 78   and name HD3 ))
 OR {  618}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 84   and name HB2 ))
 OR {  618}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 84   and name HB3 ))
 OR {  618}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 84   and name HG  ))
 OR {  618}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 85   and name HG2 ))
 OR {  618}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 85   and name HG3 ))
 OR {  618}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 86   and name HD3 ))
 OR {  618}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 86   and name HD2 ))
 ASSI {  619}
   (( segid "    " and resid 65   and name HZ  ))
   (  segid "    " and resid 72   and name HD2%)
      2.200     0.600     0.600 peak   619 spectrum    1 weight  0.10000E+01 volume  0.16380E-02 ppm1      6.859 ppm2      0.740 CV     1
 OR {  619}
   (( segid "    " and resid 65   and name HZ  ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  619}
   (( segid "    " and resid 65   and name HZ  ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  619}
   (( segid "    " and resid 65   and name HZ  ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  619}
   (( segid "    " and resid 65   and name HZ  ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  619}
   (( segid "    " and resid 65   and name HZ  ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  619}
   (( segid "    " and resid 65   and name HZ  ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  619}
   (( segid "    " and resid 65   and name HZ  ))
   (  segid "    " and resid 79   and name HD1%)
 OR {  619}
   (( segid "    " and resid 65   and name HZ  ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  619}
   (( segid "    " and resid 65   and name HZ  ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  619}
   (( segid "    " and resid 65   and name HZ  ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  619}
   (( segid "    " and resid 65   and name HZ  ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  619}
   (( segid "    " and resid 65   and name HZ  ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  619}
   (( segid "    " and resid 65   and name HZ  ))
   (  segid "    " and resid 84   and name HD1%)
 OR {  619}
   (( segid "    " and resid 65   and name HZ  ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  619}
   (( segid "    " and resid 65   and name HZ  ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  619}
   (( segid "    " and resid 65   and name HZ  ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  619}
   (( segid "    " and resid 65   and name HZ  ))
   (  segid "    " and resid 26   and name HG2%)
 OR {  619}
   (( segid "    " and resid 65   and name HZ  ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  619}
   (( segid "    " and resid 65   and name HZ  ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  619}
   (( segid "    " and resid 65   and name HZ  ))
   (  segid "    " and resid 22   and name HD1%)
 ASSI {  620}
   (( segid "    " and resid 65   and name HZ  ))
   (  segid "    " and resid 61   and name HD2%)
      2.400     0.700     0.700 peak   620 spectrum    1 weight  0.10000E+01 volume  0.93282E-03 ppm1      6.854 ppm2      0.354 CV     1
 OR {  620}
   (( segid "    " and resid 65   and name HZ  ))
   (  segid "    " and resid 44   and name HG1%)
 OR {  620}
   (( segid "    " and resid 65   and name HZ  ))
   (  segid "    " and resid 31   and name HD2%)
 ASSI {  621}
   (( segid "    " and resid 65   and name HZ  ))
   (  segid "    " and resid 65   and name HD% )
      3.600     1.600     1.600 peak   621 spectrum    1 weight  0.10000E+01 volume  0.27208E-02 ppm1      6.857 ppm2      7.169 CV     1
 OR {  621}
   (( segid "    " and resid 65   and name HZ  ))
   (( segid "    " and resid 64   and name HZ2 ))
 OR {  621}
   (( segid "    " and resid 65   and name HZ  ))
   (( segid "    " and resid 70   and name HE  ))
 OR {  621}
   (( segid "    " and resid 65   and name HZ  ))
   (( segid "    " and resid 73   and name HD2 ))
 OR {  621}
   (( segid "    " and resid 65   and name HZ  ))
   (( segid "    " and resid 58   and name HD22))
 OR {  621}
   (( segid "    " and resid 65   and name HZ  ))
   (  segid "    " and resid 43   and name HE% )
 OR {  621}
   (( segid "    " and resid 65   and name HZ  ))
   (  segid "    " and resid 81   and name HE% )
 OR {  621}
   (( segid "    " and resid 65   and name HZ  ))
   (( segid "    " and resid 39   and name HD2 ))
 OR {  621}
   (( segid "    " and resid 65   and name HZ  ))
   (( segid "    " and resid 85   and name HE  ))
 OR {  621}
   (( segid "    " and resid 65   and name HZ  ))
   (  segid "    " and resid 1    and name HD% )
 OR {  621}
   (( segid "    " and resid 65   and name HZ  ))
   (( segid "    " and resid 26   and name H   ))
 OR {  621}
   (( segid "    " and resid 65   and name HZ  ))
   (( segid "    " and resid 22   and name H   ))
 ASSI {  622}
   (  segid "    " and resid 65   and name HE% )
   (  segid "    " and resid 61   and name HD2%)
      2.300     0.600     0.600 peak   622 spectrum    1 weight  0.10000E+01 volume  0.11938E-02 ppm1      7.056 ppm2      0.355 CV     1
 OR {  622}
   (  segid "    " and resid 65   and name HE% )
   (  segid "    " and resid 44   and name HG1%)
 OR {  622}
   (  segid "    " and resid 65   and name HE% )
   (  segid "    " and resid 31   and name HD2%)
 ASSI {  623}
   (  segid "    " and resid 65   and name HE% )
   (  segid "    " and resid 72   and name HD2%)
      2.100     0.600     0.600 peak   623 spectrum    1 weight  0.10000E+01 volume  0.16935E-02 ppm1      7.060 ppm2      0.743 CV     1
 OR {  623}
   (  segid "    " and resid 65   and name HE% )
   (  segid "    " and resid 72   and name HD1%)
 OR {  623}
   (  segid "    " and resid 65   and name HE% )
   (  segid "    " and resid 76   and name HD2%)
 OR {  623}
   (  segid "    " and resid 65   and name HE% )
   (  segid "    " and resid 76   and name HD1%)
 OR {  623}
   (  segid "    " and resid 65   and name HE% )
   (  segid "    " and resid 47   and name HD2%)
 OR {  623}
   (  segid "    " and resid 65   and name HE% )
   (  segid "    " and resid 47   and name HD1%)
 OR {  623}
   (  segid "    " and resid 65   and name HE% )
   (  segid "    " and resid 54   and name HD1%)
 OR {  623}
   (  segid "    " and resid 65   and name HE% )
   (  segid "    " and resid 79   and name HD1%)
 OR {  623}
   (  segid "    " and resid 65   and name HE% )
   (  segid "    " and resid 79   and name HD2%)
 OR {  623}
   (  segid "    " and resid 65   and name HE% )
   (  segid "    " and resid 44   and name HG2%)
 OR {  623}
   (  segid "    " and resid 65   and name HE% )
   (  segid "    " and resid 40   and name HD2%)
 OR {  623}
   (  segid "    " and resid 65   and name HE% )
   (  segid "    " and resid 40   and name HD1%)
 OR {  623}
   (  segid "    " and resid 65   and name HE% )
   (  segid "    " and resid 84   and name HD2%)
 OR {  623}
   (  segid "    " and resid 65   and name HE% )
   (  segid "    " and resid 84   and name HD1%)
 OR {  623}
   (  segid "    " and resid 65   and name HE% )
   (  segid "    " and resid 29   and name HG1%)
 OR {  623}
   (  segid "    " and resid 65   and name HE% )
   (  segid "    " and resid 27   and name HD1%)
 OR {  623}
   (  segid "    " and resid 65   and name HE% )
   (  segid "    " and resid 2    and name HD1%)
 OR {  623}
   (  segid "    " and resid 65   and name HE% )
   (  segid "    " and resid 26   and name HG2%)
 OR {  623}
   (  segid "    " and resid 65   and name HE% )
   (  segid "    " and resid 18   and name HD2%)
 OR {  623}
   (  segid "    " and resid 65   and name HE% )
   (  segid "    " and resid 18   and name HD1%)
 OR {  623}
   (  segid "    " and resid 65   and name HE% )
   (  segid "    " and resid 22   and name HD1%)
 ASSI {  624}
   (  segid "    " and resid 65   and name HE% )
   (  segid "    " and resid 61   and name HD1%)
      2.400     0.700     0.700 peak   624 spectrum    1 weight  0.10000E+01 volume  0.91617E-03 ppm1      7.058 ppm2      0.475 CV     1
 OR {  624}
   (  segid "    " and resid 65   and name HE% )
   (  segid "    " and resid 52   and name HD1%)
 OR {  624}
   (  segid "    " and resid 65   and name HE% )
   (  segid "    " and resid 29   and name HG2%)
 OR {  624}
   (  segid "    " and resid 65   and name HE% )
   (  segid "    " and resid 23   and name HD1%)
 ASSI {  625}
   (  segid "    " and resid 65   and name HE% )
   (( segid "    " and resid 61   and name HG  ))
      2.500     0.800     0.800 peak   625 spectrum    1 weight  0.10000E+01 volume  0.76069E-03 ppm1      7.060 ppm2      1.236 CV     1
 OR {  625}
   (  segid "    " and resid 65   and name HE% )
   (( segid "    " and resid 71   and name HG2 ))
 OR {  625}
   (  segid "    " and resid 65   and name HE% )
   (  segid "    " and resid 54   and name HG2%)
 OR {  625}
   (  segid "    " and resid 65   and name HE% )
   (( segid "    " and resid 54   and name HG13))
 OR {  625}
   (  segid "    " and resid 65   and name HE% )
   (( segid "    " and resid 54   and name HG12))
 OR {  625}
   (  segid "    " and resid 65   and name HE% )
   (( segid "    " and resid 50   and name HG3 ))
 OR {  625}
   (  segid "    " and resid 65   and name HE% )
   (( segid "    " and resid 79   and name HB3 ))
 OR {  625}
   (  segid "    " and resid 65   and name HE% )
   (( segid "    " and resid 45   and name HB2 ))
 OR {  625}
   (  segid "    " and resid 65   and name HE% )
   (( segid "    " and resid 52   and name HG12))
 OR {  625}
   (  segid "    " and resid 65   and name HE% )
   (  segid "    " and resid 8    and name HB% )
 OR {  625}
   (  segid "    " and resid 65   and name HE% )
   (( segid "    " and resid 40   and name HB3 ))
 OR {  625}
   (  segid "    " and resid 65   and name HE% )
   (  segid "    " and resid 34   and name HB% )
 OR {  625}
   (  segid "    " and resid 65   and name HE% )
   (( segid "    " and resid 40   and name HG  ))
 OR {  625}
   (  segid "    " and resid 65   and name HE% )
   (( segid "    " and resid 31   and name HB3 ))
 OR {  625}
   (  segid "    " and resid 65   and name HE% )
   (( segid "    " and resid 16   and name HB3 ))
 OR {  625}
   (  segid "    " and resid 65   and name HE% )
   (( segid "    " and resid 16   and name HG3 ))
 OR {  625}
   (  segid "    " and resid 65   and name HE% )
   (( segid "    " and resid 16   and name HG2 ))
 OR {  625}
   (  segid "    " and resid 65   and name HE% )
   (( segid "    " and resid 18   and name HB3 ))
 OR {  625}
   (  segid "    " and resid 65   and name HE% )
   (( segid "    " and resid 21   and name HG3 ))
 ASSI {  626}
   (  segid "    " and resid 65   and name HE% )
   (( segid "    " and resid 65   and name HA  ))
      4.200     2.200     1.800 peak   626 spectrum    1 weight  0.10000E+01 volume  0.14270E-02 ppm1      7.053 ppm2      4.156 CV     1
 OR {  626}
   (  segid "    " and resid 65   and name HE% )
   (( segid "    " and resid 62   and name HA  ))
 OR {  626}
   (  segid "    " and resid 65   and name HE% )
   (( segid "    " and resid 70   and name HA  ))
 OR {  626}
   (  segid "    " and resid 65   and name HE% )
   (( segid "    " and resid 71   and name HA  ))
 OR {  626}
   (  segid "    " and resid 65   and name HE% )
   (( segid "    " and resid 72   and name HA  ))
 OR {  626}
   (  segid "    " and resid 65   and name HE% )
   (( segid "    " and resid 75   and name HB  ))
 OR {  626}
   (  segid "    " and resid 65   and name HE% )
   (( segid "    " and resid 78   and name HA  ))
 OR {  626}
   (  segid "    " and resid 65   and name HE% )
   (( segid "    " and resid 7    and name HB  ))
 OR {  626}
   (  segid "    " and resid 65   and name HE% )
   (( segid "    " and resid 37   and name HA  ))
 OR {  626}
   (  segid "    " and resid 65   and name HE% )
   (( segid "    " and resid 1    and name HA  ))
 OR {  626}
   (  segid "    " and resid 65   and name HE% )
   (( segid "    " and resid 19   and name HB2 ))
 OR {  626}
   (  segid "    " and resid 65   and name HE% )
   (( segid "    " and resid 24   and name HA  ))
 OR {  626}
   (  segid "    " and resid 65   and name HE% )
   (( segid "    " and resid 20   and name HA  ))
 ASSI {  627}
   (( segid "    " and resid 43   and name HZ  ))
   (  segid "    " and resid 44   and name HG2%)
      2.200     0.600     0.600 peak   627 spectrum    1 weight  0.10000E+01 volume  0.16269E-02 ppm1      7.068 ppm2      0.730 CV     1
 OR {  627}
   (( segid "    " and resid 43   and name HZ  ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  627}
   (( segid "    " and resid 43   and name HZ  ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  627}
   (( segid "    " and resid 43   and name HZ  ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  627}
   (( segid "    " and resid 43   and name HZ  ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  627}
   (( segid "    " and resid 43   and name HZ  ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  627}
   (( segid "    " and resid 43   and name HZ  ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  627}
   (( segid "    " and resid 43   and name HZ  ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  627}
   (( segid "    " and resid 43   and name HZ  ))
   (  segid "    " and resid 26   and name HG2%)
 OR {  627}
   (( segid "    " and resid 43   and name HZ  ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  627}
   (( segid "    " and resid 43   and name HZ  ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  627}
   (( segid "    " and resid 43   and name HZ  ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  627}
   (( segid "    " and resid 43   and name HZ  ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  627}
   (( segid "    " and resid 43   and name HZ  ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  627}
   (( segid "    " and resid 43   and name HZ  ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  627}
   (( segid "    " and resid 43   and name HZ  ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  627}
   (( segid "    " and resid 43   and name HZ  ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  627}
   (( segid "    " and resid 43   and name HZ  ))
   (  segid "    " and resid 79   and name HD1%)
 OR {  627}
   (( segid "    " and resid 43   and name HZ  ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  627}
   (( segid "    " and resid 43   and name HZ  ))
   (  segid "    " and resid 84   and name HD2%)
 ASSI {  628}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 23   and name HB3 ))
      3.000     1.100     1.100 peak   628 spectrum    1 weight  0.10000E+01 volume  0.11327E-02 ppm1      4.128 ppm2      0.842 CV     1
 OR {  628}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  628}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 27   and name HG2%)
 OR {  628}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  628}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 3    and name HD1%)
 OR {  628}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  628}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  628}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 13   and name HD1%)
 OR {  628}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  628}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 52   and name HG13))
 OR {  628}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  628}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  628}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  628}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  628}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  629}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 22   and name HB3 ))
      3.800     1.800     1.800 peak   629 spectrum    1 weight  0.10000E+01 volume  0.10494E-02 ppm1      4.129 ppm2      1.567 CV     1
 OR {  629}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {  629}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {  629}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {  629}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 21   and name HD2 ))
 OR {  629}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 21   and name HD3 ))
 OR {  629}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {  629}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {  629}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 3    and name HG  ))
 OR {  629}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
 OR {  629}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 13   and name HG  ))
 OR {  629}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 52   and name HB  ))
 OR {  629}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 45   and name HB3 ))
 OR {  629}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 45   and name HG  ))
 OR {  629}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 47   and name HG  ))
 OR {  629}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 61   and name HB3 ))
 OR {  629}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 70   and name HG3 ))
 OR {  629}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 70   and name HG2 ))
 OR {  629}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {  629}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {  629}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 72   and name HB3 ))
 OR {  629}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 76   and name HB2 ))
 OR {  629}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 76   and name HG  ))
 OR {  629}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 78   and name HD2 ))
 OR {  629}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 78   and name HD3 ))
 OR {  629}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 84   and name HB2 ))
 OR {  629}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 84   and name HB3 ))
 OR {  629}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 84   and name HG  ))
 OR {  629}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {  629}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 85   and name HG3 ))
 OR {  629}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 86   and name HD3 ))
 OR {  629}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 86   and name HD2 ))
 ASSI {  631}
   (( segid "    " and resid 24   and name HB2 ))
   (  segid "    " and resid 18   and name HD2%)
      3.700     1.700     1.700 peak   631 spectrum    1 weight  0.10000E+01 volume  0.13215E-02 ppm1      1.880 ppm2      0.746 CV     1
 OR {  631}
   (( segid "    " and resid 24   and name HB2 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  631}
   (( segid "    " and resid 24   and name HB2 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  631}
   (( segid "    " and resid 12   and name HB2 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  631}
   (( segid "    " and resid 24   and name HB2 ))
   (  segid "    " and resid 26   and name HG2%)
 OR {  631}
   (( segid "    " and resid 24   and name HB2 ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  631}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  631}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  631}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  631}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  631}
   (( segid "    " and resid 12   and name HB2 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  631}
   (( segid "    " and resid 12   and name HB2 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  631}
   (( segid "    " and resid 12   and name HB2 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  631}
   (( segid "    " and resid 24   and name HB2 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  631}
   (( segid "    " and resid 24   and name HB2 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  631}
   (( segid "    " and resid 12   and name HB2 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  631}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  631}
   (( segid "    " and resid 12   and name HB2 ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  631}
   (( segid "    " and resid 12   and name HB2 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  631}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  631}
   (( segid "    " and resid 12   and name HB2 ))
   (  segid "    " and resid 26   and name HG2%)
 OR {  631}
   (( segid "    " and resid 12   and name HB2 ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  631}
   (( segid "    " and resid 12   and name HB2 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  631}
   (( segid "    " and resid 12   and name HB2 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  631}
   (( segid "    " and resid 12   and name HB2 ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  631}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  631}
   (( segid "    " and resid 24   and name HB2 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  631}
   (( segid "    " and resid 24   and name HB2 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  631}
   (( segid "    " and resid 12   and name HB2 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  631}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  631}
   (( segid "    " and resid 24   and name HB2 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  631}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 26   and name HG2%)
 OR {  631}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  631}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  631}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  631}
   (( segid "    " and resid 24   and name HB2 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  631}
   (( segid "    " and resid 24   and name HB2 ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  631}
   (( segid "    " and resid 24   and name HB2 ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  631}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  631}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  631}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  631}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  631}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  631}
   (( segid "    " and resid 12   and name HB2 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  631}
   (( segid "    " and resid 12   and name HB2 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  631}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 79   and name HD1%)
 OR {  631}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  631}
   (( segid "    " and resid 12   and name HB2 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  631}
   (( segid "    " and resid 12   and name HB2 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  631}
   (( segid "    " and resid 12   and name HB2 ))
   (  segid "    " and resid 79   and name HD1%)
 OR {  631}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  631}
   (( segid "    " and resid 24   and name HB2 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  631}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 84   and name HD1%)
 OR {  631}
   (( segid "    " and resid 12   and name HB2 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  631}
   (( segid "    " and resid 24   and name HB2 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  631}
   (( segid "    " and resid 24   and name HB2 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  631}
   (( segid "    " and resid 24   and name HB2 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  631}
   (( segid "    " and resid 12   and name HB2 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  631}
   (( segid "    " and resid 12   and name HB2 ))
   (  segid "    " and resid 84   and name HD1%)
 OR {  631}
   (( segid "    " and resid 24   and name HB2 ))
   (  segid "    " and resid 79   and name HD1%)
 OR {  631}
   (( segid "    " and resid 24   and name HB2 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  631}
   (( segid "    " and resid 24   and name HB2 ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  631}
   (( segid "    " and resid 24   and name HB2 ))
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  632}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 69   and name HG3 ))
      2.600     0.900     0.900 peak   632 spectrum    1 weight  0.10000E+01 volume  0.20543E-02 ppm1      1.763 ppm2      2.170 CV     1
 OR {  632}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 69   and name HG3 ))
 OR {  632}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 69   and name HG2 ))
 OR {  632}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 69   and name HG2 ))
 OR {  632}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 26   and name HB  ))
 OR {  632}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 17   and name HB2 ))
 OR {  632}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 30   and name HG2 ))
 OR {  632}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 28   and name HG3 ))
 OR {  632}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 30   and name HG3 ))
 OR {  632}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 30   and name HB3 ))
 OR {  632}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 66   and name HG2 ))
 OR {  632}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 66   and name HG2 ))
 OR {  632}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 5    and name HB2 ))
 OR {  632}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 32   and name HG3 ))
 OR {  632}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 33   and name HG2 ))
 OR {  632}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 63   and name HG2 ))
 OR {  632}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 63   and name HG3 ))
 OR {  632}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 63   and name HG2 ))
 OR {  632}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 77   and name HB3 ))
 OR {  632}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 63   and name HG3 ))
 OR {  632}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 77   and name HB3 ))
 OR {  632}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 54   and name HB  ))
 OR {  632}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 49   and name HB2 ))
 OR {  632}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 49   and name HB2 ))
 OR {  632}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 49   and name HB2 ))
 OR {  632}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 54   and name HB  ))
 OR {  632}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 54   and name HB  ))
 OR {  632}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 63   and name HG3 ))
 OR {  632}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 63   and name HG2 ))
 OR {  632}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 33   and name HG2 ))
 OR {  632}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 33   and name HG2 ))
 OR {  632}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 32   and name HG3 ))
 OR {  632}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 32   and name HG3 ))
 OR {  632}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 5    and name HB2 ))
 OR {  632}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 5    and name HB2 ))
 OR {  632}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 66   and name HG2 ))
 OR {  632}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 30   and name HB3 ))
 OR {  632}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 30   and name HG3 ))
 OR {  632}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 30   and name HG2 ))
 OR {  632}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 30   and name HB3 ))
 OR {  632}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 30   and name HG3 ))
 OR {  632}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 30   and name HG2 ))
 OR {  632}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 28   and name HG3 ))
 OR {  632}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 28   and name HG3 ))
 OR {  632}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 17   and name HB2 ))
 OR {  632}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 17   and name HB2 ))
 OR {  632}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 26   and name HB  ))
 OR {  632}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 26   and name HB  ))
 OR {  632}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 69   and name HG2 ))
 OR {  632}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 69   and name HG3 ))
 OR {  632}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 77   and name HB3 ))
 ASSI {  633}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 70   and name HE  ))
      4.600     2.700     1.400 peak   633 spectrum    1 weight  0.10000E+01 volume  0.78846E-03 ppm1      1.770 ppm2      7.211 CV     1
 OR {  633}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 26   and name H   ))
 OR {  633}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 22   and name H   ))
 OR {  633}
   (( segid "    " and resid 24   and name HB3 ))
   (  segid "    " and resid 1    and name HD% )
 OR {  633}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 1    and name HZ  ))
 OR {  633}
   (( segid "    " and resid 70   and name HB3 ))
   (  segid "    " and resid 65   and name HD% )
 OR {  633}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 64   and name HZ2 ))
 OR {  633}
   (( segid "    " and resid 24   and name HB3 ))
   (  segid "    " and resid 43   and name HE% )
 OR {  633}
   (( segid "    " and resid 70   and name HB3 ))
   (  segid "    " and resid 81   and name HE% )
 OR {  633}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 50   and name H   ))
 OR {  633}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 85   and name HE  ))
 OR {  633}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 50   and name H   ))
 OR {  633}
   (( segid "    " and resid 70   and name HB3 ))
   (  segid "    " and resid 43   and name HE% )
 OR {  633}
   (( segid "    " and resid 24   and name HB3 ))
   (  segid "    " and resid 65   and name HD% )
 OR {  633}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 64   and name HZ2 ))
 OR {  633}
   (( segid "    " and resid 70   and name HB3 ))
   (  segid "    " and resid 1    and name HD% )
 OR {  633}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 26   and name H   ))
 OR {  633}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 1    and name HZ  ))
 OR {  633}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 70   and name HE  ))
 OR {  633}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 22   and name H   ))
 OR {  633}
   (( segid "    " and resid 24   and name HB3 ))
   (  segid "    " and resid 81   and name HE% )
 OR {  633}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 85   and name HE  ))
 ASSI {  634}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 26   and name H   ))
      4.100     2.100     1.900 peak   634 spectrum    1 weight  0.10000E+01 volume  0.85508E-03 ppm1      1.881 ppm2      7.213 CV     1
 OR {  634}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 22   and name H   ))
 OR {  634}
   (( segid "    " and resid 24   and name HB2 ))
   (  segid "    " and resid 1    and name HD% )
 OR {  634}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 1    and name HZ  ))
 OR {  634}
   (( segid "    " and resid 24   and name HB2 ))
   (  segid "    " and resid 43   and name HE% )
 OR {  634}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 50   and name H   ))
 OR {  634}
   (( segid "    " and resid 24   and name HB2 ))
   (  segid "    " and resid 65   and name HD% )
 OR {  634}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 64   and name HZ2 ))
 OR {  634}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 70   and name HE  ))
 OR {  634}
   (( segid "    " and resid 24   and name HB2 ))
   (  segid "    " and resid 81   and name HE% )
 OR {  634}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 85   and name HE  ))
 ASSI {  635}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 25   and name HB3 ))
      3.700     1.700     1.700 peak   635 spectrum    1 weight  0.10000E+01 volume  0.20822E-02 ppm1      1.744 ppm2      2.048 CV     1
 OR {  635}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 25   and name HB3 ))
 OR {  635}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 17   and name HG3 ))
 OR {  635}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 28   and name HB2 ))
 OR {  635}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 28   and name HB2 ))
 OR {  635}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 17   and name HG3 ))
 OR {  635}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {  635}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {  635}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 33   and name HB2 ))
 OR {  635}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 33   and name HB2 ))
 OR {  635}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 33   and name HG3 ))
 OR {  635}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 33   and name HG3 ))
 OR {  635}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 12   and name HB3 ))
 OR {  635}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 12   and name HB3 ))
 OR {  635}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 56   and name HB2 ))
 OR {  635}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 56   and name HB2 ))
 OR {  635}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 59   and name HG3 ))
 OR {  635}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 59   and name HG3 ))
 OR {  635}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 59   and name HG2 ))
 OR {  635}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 59   and name HG2 ))
 OR {  635}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 59   and name HB2 ))
 OR {  635}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 59   and name HB2 ))
 OR {  635}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {  635}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {  635}
   (( segid "    " and resid 24   and name HG2 ))
   (  segid "    " and resid 83   and name HE% )
 OR {  635}
   (( segid "    " and resid 24   and name HG3 ))
   (  segid "    " and resid 83   and name HE% )
 OR {  635}
   (( segid "    " and resid 24   and name HG2 ))
   (  segid "    " and resid 87   and name HE% )
 OR {  635}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 83   and name HB3 ))
 OR {  635}
   (( segid "    " and resid 24   and name HG3 ))
   (  segid "    " and resid 87   and name HE% )
 OR {  635}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 83   and name HB3 ))
 OR {  635}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 87   and name HB2 ))
 OR {  635}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 87   and name HB2 ))
 ASSI {  636}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 19   and name HB3 ))
      3.200     1.300     1.300 peak   636 spectrum    1 weight  0.10000E+01 volume  0.90505E-03 ppm1      1.674 ppm2      3.799 CV     1
 OR {  636}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 21   and name HA  ))
 OR {  636}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 4    and name HD3 ))
 OR {  636}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 34   and name HA  ))
 OR {  636}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 36   and name HA2 ))
 OR {  636}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 6    and name HB3 ))
 OR {  636}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 6    and name HB2 ))
 OR {  636}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 36   and name HA2 ))
 OR {  636}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 34   and name HA  ))
 OR {  636}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 6    and name HB2 ))
 OR {  636}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 6    and name HB3 ))
 OR {  636}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 4    and name HD3 ))
 OR {  636}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 19   and name HB3 ))
 OR {  636}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 21   and name HA  ))
 OR {  636}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 77   and name HD3 ))
 OR {  636}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 82   and name HA2 ))
 OR {  636}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 82   and name HA3 ))
 OR {  636}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 77   and name HD3 ))
 OR {  636}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 82   and name HA3 ))
 OR {  636}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 82   and name HA2 ))
 ASSI {  637}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 18   and name HD2%)
      3.400     1.400     1.400 peak   637 spectrum    1 weight  0.10000E+01 volume  0.21154E-02 ppm1      3.641 ppm2      0.679 CV     1
 OR {  637}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  637}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 22   and name HD2%)
 OR {  637}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  637}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 26   and name HG2%)
 OR {  637}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  637}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  637}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 31   and name HD1%)
 OR {  637}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  637}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 52   and name HG2%)
 OR {  637}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  637}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  637}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  637}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 79   and name HD1%)
 OR {  637}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 79   and name HD2%)
 ASSI {  638}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 22   and name H   ))
      4.600     2.700     1.400 peak   638 spectrum    1 weight  0.10000E+01 volume  0.10383E-02 ppm1      3.627 ppm2      7.219 CV     1
 OR {  638}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 26   and name H   ))
 OR {  638}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 1    and name HE% )
 OR {  638}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 1    and name HZ  ))
 OR {  638}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 1    and name HD% )
 OR {  638}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 43   and name HE% )
 OR {  638}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 50   and name H   ))
 OR {  638}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 65   and name HD% )
 OR {  638}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 64   and name HZ2 ))
 OR {  638}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 70   and name HE  ))
 OR {  638}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 81   and name HE% )
 OR {  638}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 85   and name HE  ))
 ASSI {  639}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 24   and name H   ))
      3.300     1.300     1.300 peak   639 spectrum    1 weight  0.10000E+01 volume  0.96058E-03 ppm1      3.643 ppm2      7.669 CV     1
 OR {  639}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 25   and name H   ))
 OR {  639}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 41   and name HE21))
 OR {  639}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 62   and name H   ))
 OR {  639}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 64   and name H   ))
 ASSI {  640}
   (  segid "    " and resid 23   and name HD2%)
   (  segid "    " and resid 22   and name HD2%)
      1.700     0.400     0.500 peak   640 spectrum    1 weight  0.10000E+01 volume  0.57969E-02 ppm1      0.227 ppm2      0.693 CV     1
 OR {  640}
   (  segid "    " and resid 23   and name HD2%)
   (  segid "    " and resid 22   and name HD1%)
 OR {  640}
   (  segid "    " and resid 23   and name HD2%)
   (  segid "    " and resid 18   and name HD2%)
 OR {  640}
   (  segid "    " and resid 23   and name HD2%)
   (  segid "    " and resid 18   and name HD1%)
 OR {  640}
   (  segid "    " and resid 23   and name HD2%)
   (  segid "    " and resid 26   and name HG2%)
 OR {  640}
   (  segid "    " and resid 23   and name HD2%)
   (  segid "    " and resid 27   and name HD1%)
 OR {  640}
   (  segid "    " and resid 23   and name HD2%)
   (  segid "    " and resid 29   and name HG1%)
 OR {  640}
   (  segid "    " and resid 23   and name HD2%)
   (  segid "    " and resid 31   and name HD1%)
 OR {  640}
   (  segid "    " and resid 23   and name HD2%)
   (  segid "    " and resid 40   and name HD2%)
 OR {  640}
   (  segid "    " and resid 23   and name HD2%)
   (  segid "    " and resid 52   and name HG2%)
 OR {  640}
   (  segid "    " and resid 23   and name HD2%)
   (  segid "    " and resid 47   and name HD1%)
 OR {  640}
   (  segid "    " and resid 23   and name HD2%)
   (  segid "    " and resid 47   and name HD2%)
 OR {  640}
   (  segid "    " and resid 23   and name HD2%)
   (  segid "    " and resid 72   and name HD1%)
 OR {  640}
   (  segid "    " and resid 23   and name HD2%)
   (  segid "    " and resid 79   and name HD1%)
 OR {  640}
   (  segid "    " and resid 23   and name HD2%)
   (  segid "    " and resid 79   and name HD2%)
 ASSI {  641}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 23   and name HG  ))
      2.900     1.000     1.000 peak   641 spectrum    1 weight  0.10000E+01 volume  0.33593E-02 ppm1      0.229 ppm2      1.401 CV     1
 OR {  641}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 23   and name HB2 ))
 OR {  641}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 22   and name HG  ))
 OR {  641}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 21   and name HG2 ))
 OR {  641}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 25   and name HG2 ))
 OR {  641}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 2    and name HG  ))
 OR {  641}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 15   and name HB2 ))
 OR {  641}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 15   and name HG3 ))
 OR {  641}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 40   and name HB2 ))
 OR {  641}
   (  segid "    " and resid 23   and name HD2%)
   (  segid "    " and resid 48   and name HB% )
 OR {  641}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 56   and name HG2 ))
 OR {  641}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 61   and name HB2 ))
 OR {  641}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 71   and name HG3 ))
 OR {  641}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 72   and name HB2 ))
 OR {  641}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 72   and name HG  ))
 OR {  641}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 78   and name HG2 ))
 OR {  641}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 78   and name HG3 ))
 OR {  641}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 79   and name HG  ))
 OR {  641}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 79   and name HB2 ))
 OR {  641}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 86   and name HG2 ))
 OR {  641}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 86   and name HG3 ))
 ASSI {  642}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 21   and name HG3 ))
      2.400     0.700     0.700 peak   642 spectrum    1 weight  0.10000E+01 volume  0.93836E-03 ppm1      0.227 ppm2      1.257 CV     1
 OR {  642}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 18   and name HB3 ))
 OR {  642}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 16   and name HG2 ))
 OR {  642}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 16   and name HB3 ))
 OR {  642}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 16   and name HG3 ))
 OR {  642}
   (  segid "    " and resid 23   and name HD2%)
   (  segid "    " and resid 34   and name HB% )
 OR {  642}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 31   and name HB3 ))
 OR {  642}
   (  segid "    " and resid 23   and name HD2%)
   (  segid "    " and resid 8    and name HB% )
 OR {  642}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 40   and name HG  ))
 OR {  642}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 40   and name HB3 ))
 OR {  642}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 52   and name HG12))
 OR {  642}
   (  segid "    " and resid 23   and name HD2%)
   (  segid "    " and resid 54   and name HG2%)
 OR {  642}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 45   and name HB2 ))
 OR {  642}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 54   and name HG12))
 OR {  642}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 50   and name HG3 ))
 OR {  642}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 54   and name HG13))
 OR {  642}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 61   and name HG  ))
 OR {  642}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 71   and name HG2 ))
 OR {  642}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 79   and name HB3 ))
 ASSI {  643}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 24   and name HA  ))
      2.500     0.800     0.800 peak   643 spectrum    1 weight  0.10000E+01 volume  0.75514E-03 ppm1      0.231 ppm2      4.180 CV     1
 OR {  643}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 20   and name HA  ))
 OR {  643}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 19   and name HB2 ))
 OR {  643}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 1    and name HA  ))
 OR {  643}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 27   and name HA  ))
 OR {  643}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 37   and name HA  ))
 OR {  643}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 7    and name HB  ))
 OR {  643}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 11   and name HB  ))
 OR {  643}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 62   and name HA  ))
 OR {  643}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 65   and name HA  ))
 OR {  643}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 70   and name HA  ))
 OR {  643}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 71   and name HA  ))
 OR {  643}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 72   and name HA  ))
 OR {  643}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 75   and name HB  ))
 OR {  643}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 78   and name HA  ))
 OR {  643}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 79   and name HA  ))
 OR {  643}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 86   and name HA  ))
 ASSI {  644}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 22   and name H   ))
      3.300     1.400     1.400 peak   644 spectrum    1 weight  0.10000E+01 volume  0.10605E-02 ppm1      0.240 ppm2      7.213 CV     1
 OR {  644}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 26   and name H   ))
 OR {  644}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 1    and name HZ  ))
 OR {  644}
   (  segid "    " and resid 23   and name HD2%)
   (  segid "    " and resid 1    and name HD% )
 OR {  644}
   (  segid "    " and resid 23   and name HD2%)
   (  segid "    " and resid 43   and name HE% )
 OR {  644}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 50   and name H   ))
 OR {  644}
   (  segid "    " and resid 23   and name HD2%)
   (  segid "    " and resid 65   and name HD% )
 OR {  644}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 64   and name HZ2 ))
 OR {  644}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 70   and name HE  ))
 OR {  644}
   (  segid "    " and resid 23   and name HD2%)
   (  segid "    " and resid 81   and name HE% )
 OR {  644}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 85   and name HE  ))
 ASSI {  645}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 22   and name HD1%)
      3.200     1.300     1.300 peak   645 spectrum    1 weight  0.10000E+01 volume  0.76235E-02 ppm1      3.984 ppm2      0.728 CV     1
 OR {  645}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  645}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  645}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 26   and name HG2%)
 OR {  645}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  645}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  645}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  645}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  645}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  645}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  645}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  645}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  645}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  645}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  645}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  645}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  645}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  645}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 79   and name HD1%)
 OR {  645}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  645}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 84   and name HD2%)
 ASSI {  646}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 21   and name HE3 ))
      3.200     1.300     1.300 peak   646 spectrum    1 weight  0.10000E+01 volume  0.11160E-02 ppm1      3.989 ppm2      2.927 CV     1
 OR {  646}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 21   and name HE2 ))
 OR {  646}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 25   and name HE3 ))
 OR {  646}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 25   and name HE2 ))
 OR {  646}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 16   and name HE2 ))
 OR {  646}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 16   and name HE3 ))
 OR {  646}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 38   and name HB2 ))
 OR {  646}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 9    and name HB3 ))
 OR {  646}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 71   and name HE2 ))
 OR {  646}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 71   and name HE3 ))
 OR {  646}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 78   and name HE3 ))
 OR {  646}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 78   and name HE2 ))
 OR {  646}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 81   and name HB3 ))
 OR {  646}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 86   and name HE2 ))
 OR {  646}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 86   and name HE3 ))
 ASSI {  647}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 25   and name HA  ))
      3.300     1.400     1.400 peak   647 spectrum    1 weight  0.10000E+01 volume  0.17157E-02 ppm1      1.571 ppm2      4.394 CV     1
 OR {  647}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 19   and name HA  ))
 OR {  647}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 25   and name HA  ))
 OR {  647}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 19   and name HA  ))
 OR {  647}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 18   and name HA  ))
 OR {  647}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 18   and name HA  ))
 OR {  647}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 2    and name HA  ))
 OR {  647}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 2    and name HA  ))
 OR {  647}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 15   and name HA  ))
 OR {  647}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 15   and name HA  ))
 OR {  647}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 5    and name HA  ))
 OR {  647}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 5    and name HA  ))
 OR {  647}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 6    and name HA  ))
 OR {  647}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 33   and name HA  ))
 OR {  647}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 6    and name HA  ))
 OR {  647}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 33   and name HA  ))
 OR {  647}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 13   and name HA  ))
 OR {  647}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 13   and name HA  ))
 OR {  647}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 40   and name HA  ))
 OR {  647}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 40   and name HA  ))
 OR {  647}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 42   and name HA  ))
 OR {  647}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 42   and name HA  ))
 OR {  647}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 49   and name HA  ))
 OR {  647}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 49   and name HA  ))
 OR {  647}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 55   and name HA  ))
 OR {  647}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 55   and name HA  ))
 OR {  647}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 56   and name HA  ))
 OR {  647}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 56   and name HA  ))
 OR {  647}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 59   and name HA  ))
 OR {  647}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 59   and name HA  ))
 OR {  647}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 60   and name HA  ))
 OR {  647}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 60   and name HA  ))
 OR {  647}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 67   and name HA  ))
 OR {  647}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 67   and name HA  ))
 OR {  647}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 77   and name HA  ))
 OR {  647}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 77   and name HA  ))
 OR {  647}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 81   and name HA  ))
 OR {  647}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 81   and name HA  ))
 OR {  647}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 83   and name HA  ))
 OR {  647}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 83   and name HA  ))
 ASSI {  648}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 24   and name H   ))
      2.900     1.100     1.100 peak   648 spectrum    1 weight  0.10000E+01 volume  0.26597E-02 ppm1      1.564 ppm2      7.797 CV     1
 OR {  648}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 24   and name H   ))
 OR {  648}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 23   and name H   ))
 OR {  648}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 23   and name H   ))
 OR {  648}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 12   and name H   ))
 OR {  648}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 12   and name H   ))
 OR {  648}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 55   and name HE1 ))
 OR {  648}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 55   and name HE1 ))
 OR {  648}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 63   and name H   ))
 OR {  648}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 63   and name H   ))
 ASSI {  649}
   (( segid "    " and resid 84   and name HB3 ))
   (( segid "    " and resid 84   and name H   ))
      2.700     0.900     0.900 peak   649 spectrum    1 weight  0.10000E+01 volume  0.50416E-02 ppm1      1.569 ppm2      8.053 CV     1
 OR {  649}
   (( segid "    " and resid 84   and name HB3 ))
   (( segid "    " and resid 85   and name H   ))
 OR {  649}
   (( segid "    " and resid 84   and name HB3 ))
   (( segid "    " and resid 83   and name H   ))
 OR {  649}
   (( segid "    " and resid 84   and name HB3 ))
   (( segid "    " and resid 79   and name H   ))
 OR {  649}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 35   and name H   ))
 OR {  649}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 35   and name H   ))
 OR {  649}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 39   and name H   ))
 OR {  649}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 39   and name H   ))
 OR {  649}
   (( segid "    " and resid 84   and name HB3 ))
   (( segid "    " and resid 75   and name H   ))
 OR {  649}
   (( segid "    " and resid 84   and name HB3 ))
   (( segid "    " and resid 72   and name H   ))
 OR {  649}
   (( segid "    " and resid 84   and name HB3 ))
   (( segid "    " and resid 71   and name H   ))
 OR {  649}
   (( segid "    " and resid 84   and name HB3 ))
   (( segid "    " and resid 70   and name H   ))
 OR {  649}
   (( segid "    " and resid 84   and name HB3 ))
   (( segid "    " and resid 66   and name H   ))
 OR {  649}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 66   and name H   ))
 OR {  649}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 66   and name H   ))
 OR {  649}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 70   and name H   ))
 OR {  649}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 70   and name H   ))
 OR {  649}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 71   and name H   ))
 OR {  649}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 71   and name H   ))
 OR {  649}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 72   and name H   ))
 OR {  649}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 72   and name H   ))
 OR {  649}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 75   and name H   ))
 OR {  649}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 75   and name H   ))
 OR {  649}
   (( segid "    " and resid 84   and name HB3 ))
   (( segid "    " and resid 39   and name H   ))
 OR {  649}
   (( segid "    " and resid 84   and name HB3 ))
   (( segid "    " and resid 35   and name H   ))
 OR {  649}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 79   and name H   ))
 OR {  649}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 79   and name H   ))
 OR {  649}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 83   and name H   ))
 OR {  649}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 83   and name H   ))
 OR {  649}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 84   and name H   ))
 OR {  649}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 84   and name H   ))
 OR {  649}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 85   and name H   ))
 OR {  649}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 85   and name H   ))
 ASSI {  651}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 25   and name H   ))
      5.000     3.100     1.000 peak   651 spectrum    1 weight  0.10000E+01 volume  0.83287E-03 ppm1      0.645 ppm2      7.639 CV     1
 OR {  651}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 41   and name HE21))
 OR {  651}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 36   and name H   ))
 OR {  651}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 36   and name H   ))
 OR {  651}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 62   and name H   ))
 OR {  651}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 25   and name H   ))
 OR {  651}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 41   and name HE21))
 OR {  651}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 62   and name H   ))
 ASSI {  652}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 19   and name H   ))
      2.400     0.700     0.700 peak   652 spectrum    1 weight  0.10000E+01 volume  0.92727E-03 ppm1      0.651 ppm2      8.140 CV     1
 OR {  652}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 7    and name H   ))
 OR {  652}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 65   and name H   ))
 OR {  652}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 78   and name H   ))
 OR {  652}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 79   and name H   ))
 OR {  652}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 85   and name H   ))
 ASSI {  653}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 24   and name HA  ))
      3.900     1.900     1.900 peak   653 spectrum    1 weight  0.10000E+01 volume  0.14214E-02 ppm1      0.659 ppm2      4.152 CV     1
 OR {  653}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 20   and name HA  ))
 OR {  653}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 19   and name HB2 ))
 OR {  653}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 1    and name HA  ))
 OR {  653}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 37   and name HA  ))
 OR {  653}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 7    and name HB  ))
 OR {  653}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 62   and name HA  ))
 OR {  653}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 65   and name HA  ))
 OR {  653}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 70   and name HA  ))
 OR {  653}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 71   and name HA  ))
 OR {  653}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 72   and name HA  ))
 OR {  653}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 75   and name HB  ))
 OR {  653}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 78   and name HA  ))
 ASSI {  654}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 21   and name HA  ))
      4.900     3.000     1.100 peak   654 spectrum    1 weight  0.10000E+01 volume  0.73293E-03 ppm1      0.650 ppm2      3.843 CV     1
 OR {  654}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 19   and name HB3 ))
 OR {  654}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 4    and name HD3 ))
 OR {  654}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 34   and name HA  ))
 OR {  654}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 6    and name HB3 ))
 OR {  654}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 6    and name HB2 ))
 OR {  654}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 60   and name HB3 ))
 OR {  654}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 82   and name HA3 ))
 OR {  654}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 82   and name HA2 ))
 ASSI {  655}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 21   and name HE3 ))
      2.400     0.700     0.700 peak   655 spectrum    1 weight  0.10000E+01 volume  0.11216E-02 ppm1      0.658 ppm2      2.929 CV     1
 OR {  655}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 21   and name HE2 ))
 OR {  655}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 25   and name HE3 ))
 OR {  655}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 25   and name HE2 ))
 OR {  655}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 16   and name HE3 ))
 OR {  655}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 16   and name HE2 ))
 OR {  655}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 38   and name HB2 ))
 OR {  655}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 9    and name HB3 ))
 OR {  655}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 71   and name HE2 ))
 OR {  655}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 71   and name HE3 ))
 OR {  655}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 78   and name HE3 ))
 OR {  655}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 78   and name HE2 ))
 OR {  655}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 81   and name HB3 ))
 OR {  655}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 86   and name HE2 ))
 OR {  655}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 86   and name HE3 ))
 ASSI {  656}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 20   and name HA  ))
      3.500     1.500     1.500 peak   656 spectrum    1 weight  0.10000E+01 volume  0.19711E-02 ppm1      3.792 ppm2      4.121 CV     1
 OR {  656}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 24   and name HA  ))
 OR {  656}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 19   and name HB2 ))
 OR {  656}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 1    and name HA  ))
 OR {  656}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 7    and name HB  ))
 OR {  656}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 62   and name HA  ))
 OR {  656}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 63   and name HA  ))
 OR {  656}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 65   and name HA  ))
 OR {  656}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 70   and name HA  ))
 OR {  656}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 71   and name HA  ))
 OR {  656}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 75   and name HB  ))
 ASSI {  657}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 25   and name H   ))
      4.300     2.300     1.700 peak   657 spectrum    1 weight  0.10000E+01 volume  0.78846E-03 ppm1      3.787 ppm2      7.602 CV     1
 OR {  657}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 28   and name H   ))
 OR {  657}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 36   and name H   ))
 OR {  657}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 41   and name HE21))
 OR {  657}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 57   and name HE21))
 OR {  657}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 61   and name H   ))
 OR {  657}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 62   and name H   ))
 OR {  657}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 80   and name HD21))
 ASSI {  659}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 23   and name H   ))
      4.600     2.600     1.400 peak   659 spectrum    1 weight  0.10000E+01 volume  0.11549E-02 ppm1      1.672 ppm2      7.771 CV     1
 OR {  659}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 23   and name H   ))
 OR {  659}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 24   and name H   ))
 OR {  659}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 24   and name H   ))
 OR {  659}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 12   and name H   ))
 OR {  659}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 12   and name H   ))
 OR {  659}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 55   and name HE1 ))
 OR {  659}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 55   and name HE1 ))
 OR {  659}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 64   and name H   ))
 OR {  659}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 64   and name H   ))
 ASSI {  660}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 24   and name H   ))
      4.300     2.300     1.700 peak   660 spectrum    1 weight  0.10000E+01 volume  0.72181E-03 ppm1      1.673 ppm2      7.692 CV     1
 OR {  660}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 24   and name H   ))
 OR {  660}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 25   and name H   ))
 OR {  660}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 25   and name H   ))
 OR {  660}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 41   and name HE21))
 OR {  660}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 41   and name HE21))
 OR {  660}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 62   and name H   ))
 OR {  660}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 62   and name H   ))
 OR {  660}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 64   and name H   ))
 OR {  660}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 64   and name H   ))
 ASSI {  661}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 21   and name HG2 ))
      3.300     1.400     1.400 peak   661 spectrum    1 weight  0.10000E+01 volume  0.37702E-02 ppm1      4.175 ppm2      1.437 CV     1
 OR {  661}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 18   and name HB2 ))
 OR {  661}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 22   and name HG  ))
 OR {  661}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 23   and name HB2 ))
 OR {  661}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 23   and name HG  ))
 OR {  661}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 27   and name HG12))
 OR {  661}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 3    and name HB2 ))
 OR {  661}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 2    and name HB2 ))
 OR {  661}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 2    and name HG  ))
 OR {  661}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 25   and name HG2 ))
 OR {  661}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 3    and name HB3 ))
 OR {  661}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 2    and name HB3 ))
 OR {  661}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 15   and name HG3 ))
 OR {  661}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 15   and name HB2 ))
 OR {  661}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 15   and name HG2 ))
 OR {  661}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 40   and name HB2 ))
 OR {  661}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 52   and name HB  ))
 OR {  661}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 48   and name HB% )
 OR {  661}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 50   and name HG2 ))
 OR {  661}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 56   and name HG2 ))
 OR {  661}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 61   and name HB2 ))
 OR {  661}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 72   and name HB2 ))
 OR {  661}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 72   and name HB3 ))
 OR {  661}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 72   and name HG  ))
 OR {  661}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 76   and name HB3 ))
 OR {  661}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 78   and name HG3 ))
 OR {  661}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 79   and name HG  ))
 OR {  661}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 79   and name HB2 ))
 OR {  661}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 84   and name HB2 ))
 OR {  661}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 86   and name HG3 ))
 ASSI {  662}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 23   and name H   ))
      3.200     1.300     1.300 peak   662 spectrum    1 weight  0.10000E+01 volume  0.22211E-02 ppm1      4.173 ppm2      7.767 CV     1
 OR {  662}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 24   and name H   ))
 OR {  662}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 12   and name H   ))
 OR {  662}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 55   and name HE1 ))
 OR {  662}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 64   and name H   ))
 ASSI {  663}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 23   and name H   ))
      4.100     2.100     1.900 peak   663 spectrum    1 weight  0.10000E+01 volume  0.81065E-03 ppm1      2.620 ppm2      7.771 CV     1
 OR {  663}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 24   and name H   ))
 OR {  663}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 23   and name H   ))
 OR {  663}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 24   and name H   ))
 OR {  663}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 12   and name H   ))
 OR {  663}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 12   and name H   ))
 OR {  663}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 55   and name HE1 ))
 OR {  663}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 55   and name HE1 ))
 OR {  663}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 64   and name H   ))
 OR {  663}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 64   and name H   ))
 ASSI {  664}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 23   and name HD1%)
      3.700     1.700     1.700 peak   664 spectrum    1 weight  0.10000E+01 volume  0.96614E-03 ppm1      4.350 ppm2      0.534 CV     1
 OR {  664}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 29   and name HG2%)
 OR {  664}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 13   and name HD2%)
 OR {  664}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 52   and name HD1%)
 OR {  664}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 45   and name HD2%)
 OR {  664}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 45   and name HD1%)
 OR {  664}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 57   and name H   ))
 OR {  664}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 61   and name HD1%)
 ASSI {  665}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 18   and name HD2%)
      3.600     1.600     1.600 peak   665 spectrum    1 weight  0.10000E+01 volume  0.18379E-02 ppm1      4.354 ppm2      0.726 CV     1
 OR {  665}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  665}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 26   and name HG2%)
 OR {  665}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  665}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  665}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  665}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 22   and name HD2%)
 OR {  665}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  665}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  665}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  665}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  665}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  665}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  665}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  665}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  665}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  665}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  665}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  665}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 79   and name HD1%)
 OR {  665}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  665}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 84   and name HD2%)
 ASSI {  666}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 24   and name HG3 ))
      3.900     1.900     1.900 peak   666 spectrum    1 weight  0.10000E+01 volume  0.11716E-02 ppm1      4.361 ppm2      1.667 CV     1
 OR {  666}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 21   and name HB3 ))
 OR {  666}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 21   and name HB2 ))
 OR {  666}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 25   and name HD3 ))
 OR {  666}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
 OR {  666}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 33   and name HB3 ))
 OR {  666}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 45   and name HB3 ))
 OR {  666}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {  666}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 56   and name HG3 ))
 OR {  666}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 68   and name HB3 ))
 OR {  666}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 68   and name HG3 ))
 OR {  666}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 70   and name HB2 ))
 OR {  666}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
 OR {  666}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 71   and name HB3 ))
 OR {  666}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 78   and name HB3 ))
 OR {  666}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 78   and name HB2 ))
 OR {  666}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 78   and name HD2 ))
 OR {  666}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 78   and name HD3 ))
 OR {  666}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 85   and name HB2 ))
 OR {  666}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 86   and name HB2 ))
 OR {  666}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 86   and name HD3 ))
 OR {  666}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 86   and name HD2 ))
 ASSI {  667}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 20   and name H   ))
      2.900     1.100     1.100 peak   667 spectrum    1 weight  0.10000E+01 volume  0.33536E-02 ppm1      4.358 ppm2      8.876 CV     1
 OR {  667}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 31   and name H   ))
 OR {  667}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 32   and name H   ))
 OR {  667}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 14   and name H   ))
 OR {  667}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 11   and name H   ))
 OR {  667}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 53   and name H   ))
 OR {  667}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 46   and name H   ))
 OR {  667}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 48   and name H   ))
 ASSI {  668}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 18   and name HD2%)
      3.300     1.300     1.300 peak   668 spectrum    1 weight  0.10000E+01 volume  0.15714E-02 ppm1      4.152 ppm2      0.721 CV     1
 OR {  668}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  668}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  668}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 26   and name HG2%)
 OR {  668}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  668}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 22   and name HD2%)
 OR {  668}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  668}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  668}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 31   and name HD1%)
 OR {  668}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  668}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  668}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  668}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  668}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  668}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  668}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  668}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  668}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 79   and name HD1%)
 OR {  668}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  668}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 84   and name HD2%)
 ASSI {  669}
   (( segid "    " and resid 19   and name HB3 ))
   (  segid "    " and resid 18   and name HD2%)
      2.800     1.000     1.000 peak   669 spectrum    1 weight  0.10000E+01 volume  0.17935E-02 ppm1      3.845 ppm2      0.709 CV     1
 OR {  669}
   (( segid "    " and resid 19   and name HB3 ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  669}
   (( segid "    " and resid 19   and name HB3 ))
   (  segid "    " and resid 26   and name HG2%)
 OR {  669}
   (( segid "    " and resid 19   and name HB3 ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  669}
   (( segid "    " and resid 19   and name HB3 ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  669}
   (( segid "    " and resid 19   and name HB3 ))
   (  segid "    " and resid 22   and name HD2%)
 OR {  669}
   (( segid "    " and resid 19   and name HB3 ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  669}
   (( segid "    " and resid 19   and name HB3 ))
   (  segid "    " and resid 31   and name HD1%)
 OR {  669}
   (( segid "    " and resid 19   and name HB3 ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  669}
   (( segid "    " and resid 19   and name HB3 ))
   (  segid "    " and resid 52   and name HG2%)
 OR {  669}
   (( segid "    " and resid 19   and name HB3 ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  669}
   (( segid "    " and resid 19   and name HB3 ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  669}
   (( segid "    " and resid 19   and name HB3 ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  669}
   (( segid "    " and resid 19   and name HB3 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  669}
   (( segid "    " and resid 19   and name HB3 ))
   (  segid "    " and resid 79   and name HD1%)
 OR {  669}
   (( segid "    " and resid 19   and name HB3 ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  669}
   (( segid "    " and resid 19   and name HB3 ))
   (  segid "    " and resid 84   and name HD2%)
 ASSI {  670}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 24   and name HG3 ))
      3.400     1.400     1.400 peak   670 spectrum    1 weight  0.10000E+01 volume  0.15825E-02 ppm1      3.847 ppm2      1.669 CV     1
 OR {  670}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 21   and name HB3 ))
 OR {  670}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 21   and name HB2 ))
 OR {  670}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 25   and name HD3 ))
 OR {  670}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 31   and name HB2 ))
 OR {  670}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 33   and name HB3 ))
 OR {  670}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 45   and name HB3 ))
 OR {  670}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {  670}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 56   and name HG3 ))
 OR {  670}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 68   and name HB3 ))
 OR {  670}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 68   and name HG3 ))
 OR {  670}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 70   and name HB2 ))
 OR {  670}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 71   and name HB2 ))
 OR {  670}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 71   and name HB3 ))
 OR {  670}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 78   and name HB3 ))
 OR {  670}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 78   and name HB2 ))
 OR {  670}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 78   and name HD2 ))
 OR {  670}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 78   and name HD3 ))
 OR {  670}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 85   and name HB2 ))
 OR {  670}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 86   and name HB2 ))
 OR {  670}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 86   and name HD3 ))
 OR {  670}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 86   and name HD2 ))
 ASSI {  671}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 22   and name HB2 ))
      3.200     1.200     1.200 peak   671 spectrum    1 weight  0.10000E+01 volume  0.23765E-02 ppm1      3.847 ppm2      1.565 CV     1
 OR {  671}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 22   and name HB3 ))
 OR {  671}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {  671}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {  671}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {  671}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {  671}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 21   and name HD2 ))
 OR {  671}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 21   and name HD3 ))
 OR {  671}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 3    and name HG  ))
 OR {  671}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 31   and name HB2 ))
 OR {  671}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 13   and name HG  ))
 OR {  671}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 52   and name HB  ))
 OR {  671}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 45   and name HB3 ))
 OR {  671}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 45   and name HG  ))
 OR {  671}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 47   and name HG  ))
 OR {  671}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 61   and name HB3 ))
 OR {  671}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 70   and name HG3 ))
 OR {  671}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 70   and name HG2 ))
 OR {  671}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {  671}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {  671}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 72   and name HB3 ))
 OR {  671}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 76   and name HB2 ))
 OR {  671}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 76   and name HG  ))
 OR {  671}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 78   and name HD2 ))
 OR {  671}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 78   and name HD3 ))
 OR {  671}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 84   and name HB2 ))
 OR {  671}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 84   and name HB3 ))
 OR {  671}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 84   and name HG  ))
 OR {  671}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {  671}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 85   and name HG3 ))
 OR {  671}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 86   and name HD3 ))
 OR {  671}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 86   and name HD2 ))
 ASSI {  672}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 18   and name HB2 ))
      3.000     1.100     1.100 peak   672 spectrum    1 weight  0.10000E+01 volume  0.15825E-02 ppm1      3.842 ppm2      1.423 CV     1
 OR {  672}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 27   and name HG12))
 OR {  672}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 23   and name HB2 ))
 OR {  672}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 22   and name HG  ))
 OR {  672}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 23   and name HG  ))
 OR {  672}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 21   and name HG2 ))
 OR {  672}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 25   and name HG2 ))
 OR {  672}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 3    and name HB2 ))
 OR {  672}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 3    and name HB3 ))
 OR {  672}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 2    and name HB2 ))
 OR {  672}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 2    and name HB3 ))
 OR {  672}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 2    and name HG  ))
 OR {  672}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 15   and name HG3 ))
 OR {  672}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 15   and name HB2 ))
 OR {  672}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 15   and name HG2 ))
 OR {  672}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 40   and name HB2 ))
 OR {  672}
   (( segid "    " and resid 19   and name HB3 ))
   (  segid "    " and resid 48   and name HB% )
 OR {  672}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 50   and name HG2 ))
 OR {  672}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 56   and name HG2 ))
 OR {  672}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 61   and name HB2 ))
 OR {  672}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 72   and name HB2 ))
 OR {  672}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 72   and name HG  ))
 OR {  672}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 76   and name HB3 ))
 OR {  672}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 78   and name HG3 ))
 OR {  672}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 79   and name HG  ))
 OR {  672}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 79   and name HB2 ))
 OR {  672}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 86   and name HG3 ))
 ASSI {  673}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 22   and name HB2 ))
      3.300     1.400     1.400 peak   673 spectrum    1 weight  0.10000E+01 volume  0.22321E-02 ppm1      4.156 ppm2      1.576 CV     1
 OR {  673}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {  673}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {  673}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 22   and name HB3 ))
 OR {  673}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {  673}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {  673}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 3    and name HG  ))
 OR {  673}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 21   and name HD2 ))
 OR {  673}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 21   and name HD3 ))
 OR {  673}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 31   and name HB2 ))
 OR {  673}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 13   and name HG  ))
 OR {  673}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 45   and name HB3 ))
 OR {  673}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 45   and name HG  ))
 OR {  673}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 47   and name HG  ))
 OR {  673}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 61   and name HB3 ))
 OR {  673}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 70   and name HG3 ))
 OR {  673}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 70   and name HG2 ))
 OR {  673}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {  673}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {  673}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 76   and name HB2 ))
 OR {  673}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 76   and name HG  ))
 OR {  673}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 78   and name HD2 ))
 OR {  673}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 78   and name HD3 ))
 OR {  673}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 84   and name HB3 ))
 OR {  673}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 84   and name HG  ))
 OR {  673}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {  673}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 85   and name HG3 ))
 OR {  673}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 86   and name HD3 ))
 OR {  673}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 86   and name HD2 ))
 ASSI {  674}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 18   and name HB2 ))
      2.600     0.800     0.800 peak   674 spectrum    1 weight  0.10000E+01 volume  0.19767E-02 ppm1      4.159 ppm2      1.429 CV     1
 OR {  674}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 27   and name HG12))
 OR {  674}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 22   and name HG  ))
 OR {  674}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 3    and name HB2 ))
 OR {  674}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 23   and name HB2 ))
 OR {  674}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 25   and name HG2 ))
 OR {  674}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 23   and name HG  ))
 OR {  674}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 21   and name HG2 ))
 OR {  674}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 3    and name HB3 ))
 OR {  674}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 2    and name HB2 ))
 OR {  674}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 15   and name HG3 ))
 OR {  674}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 2    and name HB3 ))
 OR {  674}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 2    and name HG  ))
 OR {  674}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 15   and name HB2 ))
 OR {  674}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 15   and name HG2 ))
 OR {  674}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 40   and name HB2 ))
 OR {  674}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 52   and name HB  ))
 OR {  674}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 48   and name HB% )
 OR {  674}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 50   and name HG2 ))
 OR {  674}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 56   and name HG2 ))
 OR {  674}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 61   and name HB2 ))
 OR {  674}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 72   and name HB2 ))
 OR {  674}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 72   and name HG  ))
 OR {  674}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 76   and name HB3 ))
 OR {  674}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 78   and name HG3 ))
 OR {  674}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 79   and name HG  ))
 OR {  674}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 79   and name HB2 ))
 OR {  674}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 86   and name HG3 ))
 ASSI {  675}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 24   and name HG3 ))
      3.500     1.600     1.600 peak   675 spectrum    1 weight  0.10000E+01 volume  0.24375E-02 ppm1      4.153 ppm2      1.678 CV     1
 OR {  675}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 21   and name HB3 ))
 OR {  675}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 21   and name HB2 ))
 OR {  675}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 25   and name HD3 ))
 OR {  675}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 31   and name HB2 ))
 OR {  675}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 33   and name HB3 ))
 OR {  675}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 45   and name HB3 ))
 OR {  675}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {  675}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 56   and name HG3 ))
 OR {  675}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 68   and name HB3 ))
 OR {  675}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 68   and name HG3 ))
 OR {  675}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 70   and name HB2 ))
 OR {  675}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 71   and name HB2 ))
 OR {  675}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 71   and name HB3 ))
 OR {  675}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 78   and name HB3 ))
 OR {  675}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 78   and name HB2 ))
 OR {  675}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 85   and name HB2 ))
 OR {  675}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 86   and name HB2 ))
 OR {  675}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 86   and name HD3 ))
 OR {  675}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 86   and name HD2 ))
 ASSI {  676}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 20   and name HB3 ))
      4.300     2.300     1.700 peak   676 spectrum    1 weight  0.10000E+01 volume  0.18267E-02 ppm1      4.149 ppm2      2.613 CV     1
 OR {  676}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 20   and name HB2 ))
 OR {  676}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 35   and name HB2 ))
 OR {  676}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 35   and name HB3 ))
 OR {  676}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 37   and name HB2 ))
 OR {  676}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 9    and name HB2 ))
 OR {  676}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 43   and name HB2 ))
 OR {  676}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 43   and name HB3 ))
 OR {  676}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 53   and name HB2 ))
 OR {  676}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 80   and name HB2 ))
 OR {  676}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 87   and name HG2 ))
 ASSI {  677}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 20   and name HB3 ))
      4.400     2.400     1.600 peak   677 spectrum    1 weight  0.10000E+01 volume  0.11494E-02 ppm1      3.844 ppm2      2.608 CV     1
 OR {  677}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 20   and name HB2 ))
 OR {  677}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 35   and name HB2 ))
 OR {  677}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 37   and name HB2 ))
 OR {  677}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 35   and name HB3 ))
 OR {  677}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 9    and name HB2 ))
 OR {  677}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 43   and name HB2 ))
 OR {  677}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 43   and name HB3 ))
 OR {  677}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 53   and name HB2 ))
 OR {  677}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 80   and name HB2 ))
 OR {  677}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 87   and name HG2 ))
 ASSI {  678}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 1    and name HE% )
      3.900     1.900     1.900 peak   678 spectrum    1 weight  0.10000E+01 volume  0.11993E-02 ppm1      4.153 ppm2      7.237 CV     1
 OR {  678}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 26   and name H   ))
 OR {  678}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 22   and name H   ))
 OR {  678}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 1    and name HZ  ))
 OR {  678}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 43   and name HE% )
 OR {  678}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 50   and name H   ))
 OR {  678}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 64   and name HZ2 ))
 OR {  678}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 70   and name HE  ))
 OR {  678}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 85   and name HE  ))
 ASSI {  679}
   (( segid "    " and resid 19   and name HB3 ))
   (  segid "    " and resid 1    and name HE% )
      3.500     1.500     1.500 peak   679 spectrum    1 weight  0.10000E+01 volume  0.16047E-02 ppm1      3.845 ppm2      7.230 CV     1
 OR {  679}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 26   and name H   ))
 OR {  679}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 22   and name H   ))
 OR {  679}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 1    and name HZ  ))
 OR {  679}
   (( segid "    " and resid 19   and name HB3 ))
   (  segid "    " and resid 43   and name HE% )
 OR {  679}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 50   and name H   ))
 OR {  679}
   (( segid "    " and resid 19   and name HB3 ))
   (  segid "    " and resid 65   and name HD% )
 OR {  679}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 64   and name HZ2 ))
 OR {  679}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 70   and name HE  ))
 OR {  679}
   (( segid "    " and resid 19   and name HB3 ))
   (  segid "    " and resid 81   and name HE% )
 OR {  679}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 85   and name HE  ))
 ASSI {  680}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 21   and name H   ))
      4.000     2.000     2.000 peak   680 spectrum    1 weight  0.10000E+01 volume  0.27707E-02 ppm1      4.148 ppm2      7.908 CV     1
 OR {  680}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 32   and name HE21))
 OR {  680}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 63   and name H   ))
 OR {  680}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 67   and name H   ))
 OR {  680}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 68   and name H   ))
 OR {  680}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 88   and name H   ))
 ASSI {  681}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 21   and name H   ))
      3.800     1.800     1.800 peak   681 spectrum    1 weight  0.10000E+01 volume  0.18157E-02 ppm1      3.845 ppm2      7.903 CV     1
 OR {  681}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 32   and name HE21))
 OR {  681}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 63   and name H   ))
 OR {  681}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 67   and name H   ))
 OR {  681}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 68   and name H   ))
 OR {  681}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 88   and name H   ))
 ASSI {  682}
   (( segid "    " and resid 18   and name HB2 ))
   (  segid "    " and resid 29   and name HG2%)
      3.200     1.300     1.300 peak   682 spectrum    1 weight  0.10000E+01 volume  0.14603E-02 ppm1      1.487 ppm2      0.479 CV     1
 OR {  682}
   (( segid "    " and resid 18   and name HB2 ))
   (  segid "    " and resid 23   and name HD1%)
 OR {  682}
   (( segid "    " and resid 18   and name HB2 ))
   (  segid "    " and resid 52   and name HD1%)
 OR {  682}
   (( segid "    " and resid 18   and name HB2 ))
   (  segid "    " and resid 61   and name HD1%)
 ASSI {  683}
   (( segid "    " and resid 18   and name HB3 ))
   (  segid "    " and resid 29   and name HG2%)
      2.400     0.700     0.700 peak   683 spectrum    1 weight  0.10000E+01 volume  0.81065E-03 ppm1      1.269 ppm2      0.482 CV     1
 OR {  683}
   (( segid "    " and resid 18   and name HB3 ))
   (  segid "    " and resid 23   and name HD1%)
 OR {  683}
   (( segid "    " and resid 18   and name HB3 ))
   (  segid "    " and resid 52   and name HD1%)
 OR {  683}
   (( segid "    " and resid 18   and name HB3 ))
   (  segid "    " and resid 61   and name HD1%)
 ASSI {  685}
   (( segid "    " and resid 18   and name HG  ))
   (  segid "    " and resid 29   and name HG2%)
      3.400     1.500     1.500 peak   685 spectrum    1 weight  0.10000E+01 volume  0.13437E-02 ppm1      1.755 ppm2      0.475 CV     1
 OR {  685}
   (( segid "    " and resid 18   and name HG  ))
   (  segid "    " and resid 23   and name HD1%)
 OR {  685}
   (( segid "    " and resid 18   and name HG  ))
   (  segid "    " and resid 52   and name HD1%)
 OR {  685}
   (( segid "    " and resid 18   and name HG  ))
   (  segid "    " and resid 61   and name HD1%)
 ASSI {  686}
   (( segid "    " and resid 18   and name HG  ))
   (( segid "    " and resid 19   and name HB3 ))
      4.400     2.400     1.600 peak   686 spectrum    1 weight  0.10000E+01 volume  0.88284E-03 ppm1      1.756 ppm2      3.912 CV     1
 OR {  686}
   (( segid "    " and resid 18   and name HG  ))
   (( segid "    " and resid 60   and name HB3 ))
 OR {  686}
   (( segid "    " and resid 18   and name HG  ))
   (( segid "    " and resid 62   and name HB2 ))
 OR {  686}
   (( segid "    " and resid 18   and name HG  ))
   (( segid "    " and resid 62   and name HB3 ))
 OR {  686}
   (( segid "    " and resid 18   and name HG  ))
   (( segid "    " and resid 74   and name HA3 ))
 OR {  686}
   (( segid "    " and resid 18   and name HG  ))
   (( segid "    " and resid 74   and name HA2 ))
 ASSI {  687}
   (( segid "    " and resid 18   and name HG  ))
   (( segid "    " and resid 26   and name HA  ))
      4.100     2.100     1.900 peak   687 spectrum    1 weight  0.10000E+01 volume  0.16380E-02 ppm1      1.761 ppm2      3.662 CV     1
 OR {  687}
   (( segid "    " and resid 18   and name HG  ))
   (( segid "    " and resid 23   and name HA  ))
 OR {  687}
   (( segid "    " and resid 18   and name HG  ))
   (( segid "    " and resid 17   and name HD3 ))
 OR {  687}
   (( segid "    " and resid 18   and name HG  ))
   (( segid "    " and resid 5    and name HD2 ))
 OR {  687}
   (( segid "    " and resid 18   and name HG  ))
   (( segid "    " and resid 53   and name HB3 ))
 OR {  687}
   (( segid "    " and resid 18   and name HG  ))
   (( segid "    " and resid 56   and name HD2 ))
 OR {  687}
   (( segid "    " and resid 18   and name HG  ))
   (( segid "    " and resid 59   and name HD2 ))
 OR {  687}
   (( segid "    " and resid 18   and name HG  ))
   (( segid "    " and resid 60   and name HB2 ))
 OR {  687}
   (( segid "    " and resid 18   and name HG  ))
   (( segid "    " and resid 88   and name HA3 ))
 OR {  687}
   (( segid "    " and resid 18   and name HG  ))
   (( segid "    " and resid 88   and name HA2 ))
 ASSI {  688}
   (( segid "    " and resid 18   and name HG  ))
   (( segid "    " and resid 15   and name HE  ))
      2.400     0.700     0.700 peak   688 spectrum    1 weight  0.10000E+01 volume  0.83287E-03 ppm1      1.746 ppm2      7.035 CV     1
 OR {  688}
   (( segid "    " and resid 18   and name HG  ))
   (  segid "    " and resid 14   and name HD% )
 OR {  688}
   (( segid "    " and resid 18   and name HG  ))
   (( segid "    " and resid 32   and name HE22))
 OR {  688}
   (( segid "    " and resid 18   and name HG  ))
   (( segid "    " and resid 39   and name HD2 ))
 OR {  688}
   (( segid "    " and resid 18   and name HG  ))
   (( segid "    " and resid 40   and name H   ))
 OR {  688}
   (( segid "    " and resid 18   and name HG  ))
   (( segid "    " and resid 43   and name HZ  ))
 OR {  688}
   (( segid "    " and resid 18   and name HG  ))
   (( segid "    " and resid 50   and name HE  ))
 OR {  688}
   (( segid "    " and resid 18   and name HG  ))
   (( segid "    " and resid 55   and name HD2 ))
 OR {  688}
   (( segid "    " and resid 18   and name HG  ))
   (  segid "    " and resid 65   and name HE% )
 OR {  688}
   (( segid "    " and resid 18   and name HG  ))
   (( segid "    " and resid 64   and name HE3 ))
 OR {  688}
   (( segid "    " and resid 18   and name HG  ))
   (( segid "    " and resid 67   and name HD2 ))
 OR {  688}
   (( segid "    " and resid 18   and name HG  ))
   (  segid "    " and resid 81   and name HD% )
 ASSI {  689}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 1    and name HB2 ))
      2.200     0.600     0.600 peak   689 spectrum    1 weight  0.10000E+01 volume  0.34925E-02 ppm1      0.690 ppm2      3.048 CV     1
 OR {  689}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 24   and name HD3 ))
 OR {  689}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 14   and name HB3 ))
 OR {  689}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 14   and name HB2 ))
 OR {  689}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 39   and name HB2 ))
 OR {  689}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 50   and name HD3 ))
 OR {  689}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 46   and name HB3 ))
 OR {  689}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 50   and name HD2 ))
 OR {  689}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 58   and name HB3 ))
 OR {  689}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 64   and name HB3 ))
 OR {  689}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 65   and name HB3 ))
 OR {  689}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 67   and name HB3 ))
 OR {  689}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 70   and name HD2 ))
 OR {  689}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 70   and name HD3 ))
 OR {  689}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 73   and name HB2 ))
 OR {  689}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 81   and name HB2 ))
 OR {  689}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 85   and name HD3 ))
 OR {  689}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 85   and name HD2 ))
 ASSI {  690}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 14   and name HE% )
      2.800     1.000     1.000 peak   690 spectrum    1 weight  0.10000E+01 volume  0.12271E-02 ppm1      0.694 ppm2      6.682 CV     1
 OR {  690}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 28   and name HE22))
 OR {  690}
   (  segid "    " and resid 18   and name HD1%)
   (  segid "    " and resid 14   and name HE% )
 OR {  690}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 28   and name HE22))
 OR {  690}
   (  segid "    " and resid 47   and name HD1%)
   (  segid "    " and resid 14   and name HE% )
 OR {  690}
   (  segid "    " and resid 47   and name HD2%)
   (  segid "    " and resid 14   and name HE% )
 OR {  690}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 28   and name HE22))
 OR {  690}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 28   and name HE22))
 OR {  690}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 64   and name HZ3 ))
 OR {  690}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 64   and name HZ3 ))
 OR {  690}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 64   and name HZ3 ))
 OR {  690}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 64   and name HZ3 ))
 ASSI {  691}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 36   and name H   ))
      4.100     2.100     1.900 peak   691 spectrum    1 weight  0.10000E+01 volume  0.10661E-02 ppm1      0.696 ppm2      7.542 CV     1
 OR {  691}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 28   and name H   ))
 OR {  691}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 49   and name HE21))
 OR {  691}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 28   and name H   ))
 OR {  691}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 49   and name HE21))
 OR {  691}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 57   and name HE21))
 OR {  691}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 57   and name HE21))
 OR {  691}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 36   and name H   ))
 OR {  691}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 61   and name H   ))
 OR {  691}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 36   and name H   ))
 OR {  691}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 61   and name H   ))
 OR {  691}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 36   and name H   ))
 OR {  691}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 49   and name HE21))
 OR {  691}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 28   and name H   ))
 OR {  691}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 28   and name H   ))
 OR {  691}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 57   and name HE21))
 OR {  691}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 49   and name HE21))
 OR {  691}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 61   and name H   ))
 OR {  691}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 57   and name HE21))
 OR {  691}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 61   and name H   ))
 OR {  691}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 80   and name HD21))
 OR {  691}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 80   and name HD21))
 OR {  691}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 80   and name HD21))
 OR {  691}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 80   and name HD21))
 ASSI {  692}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 29   and name H   ))
      2.900     1.100     1.100 peak   692 spectrum    1 weight  0.10000E+01 volume  0.65853E-02 ppm1      0.687 ppm2      8.757 CV     1
 OR {  692}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 34   and name H   ))
 OR {  692}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 42   and name H   ))
 OR {  692}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 52   and name H   ))
 OR {  692}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 47   and name H   ))
 OR {  692}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 60   and name H   ))
 ASSI {  693}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 26   and name HA  ))
      3.100     1.200     1.200 peak   693 spectrum    1 weight  0.10000E+01 volume  0.15325E-02 ppm1      0.723 ppm2      3.661 CV     1
 OR {  693}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 23   and name HA  ))
 OR {  693}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 17   and name HD3 ))
 OR {  693}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 5    and name HD2 ))
 OR {  693}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 53   and name HB3 ))
 OR {  693}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 56   and name HD2 ))
 OR {  693}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 59   and name HD2 ))
 OR {  693}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 60   and name HB2 ))
 OR {  693}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 88   and name HA3 ))
 OR {  693}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 88   and name HA2 ))
 ASSI {  694}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 18   and name H   ))
      2.700     0.900     0.900 peak   694 spectrum    1 weight  0.10000E+01 volume  0.56468E-02 ppm1      4.480 ppm2      8.446 CV     1
 OR {  694}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 2    and name H   ))
 OR {  694}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 33   and name H   ))
 OR {  694}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 37   and name H   ))
 OR {  694}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 38   and name H   ))
 OR {  694}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 41   and name H   ))
 OR {  694}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 43   and name H   ))
 OR {  694}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 49   and name H   ))
 OR {  694}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 55   and name H   ))
 OR {  694}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 82   and name H   ))
 OR {  694}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 87   and name H   ))
 ASSI {  695}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 5    and name HB2 ))
      3.000     1.100     1.100 peak   695 spectrum    1 weight  0.10000E+01 volume  0.43031E-02 ppm1      3.689 ppm2      2.243 CV     1
 OR {  695}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 4    and name HB3 ))
 OR {  695}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 30   and name HG2 ))
 OR {  695}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 12   and name HG3 ))
 OR {  695}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 17   and name HB2 ))
 OR {  695}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 28   and name HG2 ))
 OR {  695}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 12   and name HG2 ))
 OR {  695}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 32   and name HG2 ))
 OR {  695}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 33   and name HG2 ))
 OR {  695}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 41   and name HG2 ))
 OR {  695}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 54   and name HB  ))
 OR {  695}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 49   and name HB2 ))
 OR {  695}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 49   and name HG3 ))
 OR {  695}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 49   and name HG2 ))
 OR {  695}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 63   and name HG3 ))
 OR {  695}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 63   and name HG2 ))
 OR {  695}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 66   and name HG3 ))
 OR {  695}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 69   and name HG3 ))
 ASSI {  697}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 18   and name H   ))
      2.100     0.600     0.600 peak   697 spectrum    1 weight  0.10000E+01 volume  0.22765E-02 ppm1      2.198 ppm2      8.438 CV     1
 OR {  697}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 2    and name H   ))
 OR {  697}
   (( segid "    " and resid 26   and name HB  ))
   (( segid "    " and resid 18   and name H   ))
 OR {  697}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 37   and name H   ))
 OR {  697}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 38   and name H   ))
 OR {  697}
   (( segid "    " and resid 26   and name HB  ))
   (( segid "    " and resid 2    and name H   ))
 OR {  697}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 2    and name H   ))
 OR {  697}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 33   and name H   ))
 OR {  697}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 18   and name H   ))
 OR {  697}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 41   and name H   ))
 OR {  697}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 33   and name H   ))
 OR {  697}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 82   and name H   ))
 OR {  697}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 43   and name H   ))
 OR {  697}
   (( segid "    " and resid 26   and name HB  ))
   (( segid "    " and resid 33   and name H   ))
 OR {  697}
   (( segid "    " and resid 26   and name HB  ))
   (( segid "    " and resid 37   and name H   ))
 OR {  697}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 37   and name H   ))
 OR {  697}
   (( segid "    " and resid 26   and name HB  ))
   (( segid "    " and resid 38   and name H   ))
 OR {  697}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 38   and name H   ))
 OR {  697}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 41   and name H   ))
 OR {  697}
   (( segid "    " and resid 26   and name HB  ))
   (( segid "    " and resid 43   and name H   ))
 OR {  697}
   (( segid "    " and resid 26   and name HB  ))
   (( segid "    " and resid 41   and name H   ))
 OR {  697}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 43   and name H   ))
 OR {  697}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 49   and name H   ))
 OR {  697}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 55   and name H   ))
 OR {  697}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 87   and name H   ))
 OR {  697}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 49   and name H   ))
 OR {  697}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 55   and name H   ))
 OR {  697}
   (( segid "    " and resid 26   and name HB  ))
   (( segid "    " and resid 49   and name H   ))
 OR {  697}
   (( segid "    " and resid 26   and name HB  ))
   (( segid "    " and resid 55   and name H   ))
 OR {  697}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 55   and name H   ))
 OR {  697}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 49   and name H   ))
 OR {  697}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 43   and name H   ))
 OR {  697}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 41   and name H   ))
 OR {  697}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 38   and name H   ))
 OR {  697}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 37   and name H   ))
 OR {  697}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 33   and name H   ))
 OR {  697}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 18   and name H   ))
 OR {  697}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 2    and name H   ))
 OR {  697}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 82   and name H   ))
 OR {  697}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 82   and name H   ))
 OR {  697}
   (( segid "    " and resid 26   and name HB  ))
   (( segid "    " and resid 82   and name H   ))
 OR {  697}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 87   and name H   ))
 OR {  697}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 87   and name H   ))
 OR {  697}
   (( segid "    " and resid 26   and name HB  ))
   (( segid "    " and resid 87   and name H   ))
 ASSI {  699}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 16   and name HA  ))
      3.900     1.900     1.900 peak   699 spectrum    1 weight  0.10000E+01 volume  0.24597E-02 ppm1      2.045 ppm2      4.315 CV     1
 OR {  699}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 19   and name HA  ))
 OR {  699}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 2    and name HA  ))
 OR {  699}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 15   and name HA  ))
 OR {  699}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 5    and name HA  ))
 OR {  699}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 6    and name HA  ))
 OR {  699}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 25   and name HA  ))
 OR {  699}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 13   and name HA  ))
 OR {  699}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 33   and name HA  ))
 OR {  699}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 7    and name HA  ))
 OR {  699}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 8    and name HA  ))
 OR {  699}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 11   and name HA  ))
 OR {  699}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 42   and name HA  ))
 OR {  699}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 55   and name HA  ))
 OR {  699}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 56   and name HA  ))
 OR {  699}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 60   and name HA  ))
 OR {  699}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 64   and name HA  ))
 OR {  699}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 75   and name HA  ))
 OR {  699}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 77   and name HA  ))
 OR {  699}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 83   and name HA  ))
 OR {  699}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 84   and name HA  ))
 OR {  699}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 85   and name HA  ))
 ASSI {  700}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 16   and name HG2 ))
      4.400     2.400     1.600 peak   700 spectrum    1 weight  0.10000E+01 volume  0.17935E-02 ppm1      2.050 ppm2      1.224 CV     1
 OR {  700}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 16   and name HG3 ))
 OR {  700}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 16   and name HB3 ))
 OR {  700}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 18   and name HB3 ))
 OR {  700}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 31   and name HB3 ))
 OR {  700}
   (( segid "    " and resid 17   and name HG3 ))
   (  segid "    " and resid 34   and name HB% )
 OR {  700}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 40   and name HG  ))
 OR {  700}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 40   and name HB3 ))
 OR {  700}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 52   and name HG12))
 OR {  700}
   (( segid "    " and resid 17   and name HG3 ))
   (  segid "    " and resid 54   and name HG2%)
 OR {  700}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 45   and name HB2 ))
 OR {  700}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 50   and name HG3 ))
 OR {  700}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 54   and name HG12))
 OR {  700}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 54   and name HG13))
 OR {  700}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 61   and name HG  ))
 OR {  700}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 71   and name HG2 ))
 OR {  700}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 79   and name HB3 ))
 ASSI {  701}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 16   and name HG2 ))
      4.400     2.400     1.600 peak   701 spectrum    1 weight  0.10000E+01 volume  0.11494E-02 ppm1      1.860 ppm2      1.226 CV     1
 OR {  701}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 16   and name HG3 ))
 OR {  701}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 16   and name HB3 ))
 OR {  701}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 18   and name HB3 ))
 OR {  701}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 31   and name HB3 ))
 OR {  701}
   (( segid "    " and resid 17   and name HG2 ))
   (  segid "    " and resid 34   and name HB% )
 OR {  701}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 40   and name HG  ))
 OR {  701}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 40   and name HB3 ))
 OR {  701}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 52   and name HG12))
 OR {  701}
   (( segid "    " and resid 17   and name HG2 ))
   (  segid "    " and resid 54   and name HG2%)
 OR {  701}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 45   and name HB2 ))
 OR {  701}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 50   and name HG3 ))
 OR {  701}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 54   and name HG12))
 OR {  701}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 54   and name HG13))
 OR {  701}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 61   and name HG  ))
 OR {  701}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 71   and name HG2 ))
 OR {  701}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 79   and name HB3 ))
 ASSI {  702}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 2    and name HD1%)
      2.100     0.600     0.600 peak   702 spectrum    1 weight  0.10000E+01 volume  0.12965E-01 ppm1      4.355 ppm2      0.787 CV     1
 OR {  702}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 3    and name HD1%)
 OR {  702}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  702}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  702}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  702}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  702}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  702}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  702}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {  702}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  702}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  702}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  702}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  702}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 52   and name HG13))
 OR {  702}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  702}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  702}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  702}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  702}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  702}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  702}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  702}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  703}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HD3 ))
      2.100     0.500     0.500 peak   703 spectrum    1 weight  0.10000E+01 volume  0.60522E-02 ppm1      4.304 ppm2      3.667 CV     1
 OR {  703}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 5    and name HD2 ))
 OR {  703}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 26   and name HA  ))
 OR {  703}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 23   and name HA  ))
 OR {  703}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 53   and name HB3 ))
 OR {  703}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 56   and name HD2 ))
 OR {  703}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 59   and name HD2 ))
 OR {  703}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 60   and name HB2 ))
 OR {  703}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 88   and name HA3 ))
 OR {  703}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 88   and name HA2 ))
 ASSI {  704}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HD2 ))
      2.500     0.800     0.800 peak   704 spectrum    1 weight  0.10000E+01 volume  0.48806E-02 ppm1      4.306 ppm2      3.522 CV     1
 OR {  704}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 5    and name HD3 ))
 OR {  704}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 4    and name HD2 ))
 OR {  704}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 77   and name HD2 ))
 ASSI {  705}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HD3 ))
      2.500     0.800     0.800 peak   705 spectrum    1 weight  0.10000E+01 volume  0.24931E-02 ppm1      1.222 ppm2      1.561 CV     1
 OR {  705}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {  705}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 31   and name HB2 ))
 OR {  705}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 3    and name HG  ))
 OR {  705}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 13   and name HG  ))
 OR {  705}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {  705}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {  705}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {  705}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 22   and name HB3 ))
 OR {  705}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 21   and name HD2 ))
 OR {  705}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 21   and name HD3 ))
 OR {  705}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 52   and name HB  ))
 OR {  705}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 45   and name HG  ))
 OR {  705}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 45   and name HB3 ))
 OR {  705}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 47   and name HG  ))
 OR {  705}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 61   and name HB3 ))
 OR {  705}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 70   and name HG3 ))
 OR {  705}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 70   and name HG2 ))
 OR {  705}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {  705}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {  705}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 72   and name HB3 ))
 OR {  705}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 76   and name HB2 ))
 OR {  705}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 76   and name HG  ))
 OR {  705}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 78   and name HD2 ))
 OR {  705}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 78   and name HD3 ))
 OR {  705}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 84   and name HB2 ))
 OR {  705}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 84   and name HB3 ))
 OR {  705}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 84   and name HG  ))
 OR {  705}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {  705}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 85   and name HG3 ))
 OR {  705}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 86   and name HD3 ))
 OR {  705}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 86   and name HD2 ))
 ASSI {  706}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 16   and name HD2 ))
      2.100     0.500     0.500 peak   706 spectrum    1 weight  0.10000E+01 volume  0.10833E-01 ppm1      1.235 ppm2      1.558 CV     1
 OR {  706}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {  706}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {  706}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {  706}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 31   and name HB2 ))
 OR {  706}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 31   and name HB2 ))
 OR {  706}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 18   and name HB2 ))
 OR {  706}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 18   and name HB2 ))
 OR {  706}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 3    and name HG  ))
 OR {  706}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 3    and name HG  ))
 OR {  706}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {  706}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 13   and name HG  ))
 OR {  706}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 13   and name HG  ))
 OR {  706}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {  706}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {  706}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {  706}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {  706}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {  706}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 22   and name HB3 ))
 OR {  706}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 22   and name HB3 ))
 OR {  706}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 21   and name HD2 ))
 OR {  706}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 21   and name HD2 ))
 OR {  706}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 21   and name HD3 ))
 OR {  706}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 21   and name HD3 ))
 OR {  706}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 52   and name HB  ))
 OR {  706}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 52   and name HB  ))
 OR {  706}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 45   and name HG  ))
 OR {  706}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 45   and name HB3 ))
 OR {  706}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 45   and name HG  ))
 OR {  706}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 45   and name HB3 ))
 OR {  706}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 47   and name HG  ))
 OR {  706}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 47   and name HG  ))
 OR {  706}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 61   and name HB3 ))
 OR {  706}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 61   and name HB3 ))
 OR {  706}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 70   and name HG3 ))
 OR {  706}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 70   and name HG2 ))
 OR {  706}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 70   and name HG3 ))
 OR {  706}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 70   and name HG2 ))
 OR {  706}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {  706}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {  706}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {  706}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {  706}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 72   and name HB3 ))
 OR {  706}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 72   and name HB3 ))
 OR {  706}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 76   and name HB2 ))
 OR {  706}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 76   and name HB2 ))
 OR {  706}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 76   and name HG  ))
 OR {  706}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 76   and name HG  ))
 OR {  706}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 78   and name HD2 ))
 OR {  706}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 78   and name HD2 ))
 OR {  706}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 78   and name HD3 ))
 OR {  706}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 78   and name HD3 ))
 OR {  706}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 84   and name HB2 ))
 OR {  706}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 84   and name HB2 ))
 OR {  706}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 84   and name HB3 ))
 OR {  706}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 84   and name HG  ))
 OR {  706}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 84   and name HB3 ))
 OR {  706}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 84   and name HG  ))
 OR {  706}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {  706}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 85   and name HG3 ))
 OR {  706}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {  706}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 85   and name HG3 ))
 OR {  706}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 86   and name HD3 ))
 OR {  706}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 86   and name HD2 ))
 OR {  706}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 86   and name HD3 ))
 OR {  706}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 86   and name HD2 ))
 ASSI {  707}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 28   and name HE21))
      3.900     1.900     1.900 peak   707 spectrum    1 weight  0.10000E+01 volume  0.99945E-03 ppm1      4.332 ppm2      7.372 CV     1
 OR {  707}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 24   and name HE  ))
 OR {  707}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 58   and name HD21))
 OR {  707}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 63   and name HE21))
 ASSI {  708}
   (( segid "    " and resid 15   and name HD2 ))
   (( segid "    " and resid 15   and name HE  ))
      3.000     1.100     1.100 peak   708 spectrum    1 weight  0.10000E+01 volume  0.11716E-02 ppm1      2.797 ppm2      7.068 CV     1
 OR {  708}
   (( segid "    " and resid 15   and name HD2 ))
   (  segid "    " and resid 14   and name HD% )
 OR {  708}
   (( segid "    " and resid 15   and name HD2 ))
   (( segid "    " and resid 32   and name HE22))
 OR {  708}
   (( segid "    " and resid 15   and name HD2 ))
   (( segid "    " and resid 39   and name HD2 ))
 OR {  708}
   (( segid "    " and resid 15   and name HD2 ))
   (( segid "    " and resid 40   and name H   ))
 OR {  708}
   (( segid "    " and resid 15   and name HD2 ))
   (( segid "    " and resid 43   and name HZ  ))
 OR {  708}
   (( segid "    " and resid 15   and name HD2 ))
   (( segid "    " and resid 50   and name HE  ))
 OR {  708}
   (( segid "    " and resid 15   and name HD2 ))
   (( segid "    " and resid 55   and name HD2 ))
 OR {  708}
   (( segid "    " and resid 15   and name HD2 ))
   (( segid "    " and resid 58   and name HD22))
 OR {  708}
   (( segid "    " and resid 15   and name HD2 ))
   (  segid "    " and resid 65   and name HE% )
 OR {  708}
   (( segid "    " and resid 15   and name HD2 ))
   (( segid "    " and resid 67   and name HD2 ))
 OR {  708}
   (( segid "    " and resid 15   and name HD2 ))
   (( segid "    " and resid 73   and name HD2 ))
 OR {  708}
   (( segid "    " and resid 15   and name HD2 ))
   (  segid "    " and resid 81   and name HD% )
 ASSI {  710}
   (( segid "    " and resid 15   and name HG3 ))
   (( segid "    " and resid 15   and name HE  ))
      3.000     1.100     1.100 peak   710 spectrum    1 weight  0.10000E+01 volume  0.92727E-03 ppm1      1.382 ppm2      7.096 CV     1
 OR {  710}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 55   and name HD2 ))
 OR {  710}
   (( segid "    " and resid 15   and name HG3 ))
   (( segid "    " and resid 32   and name HE22))
 OR {  710}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 58   and name HD22))
 OR {  710}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 50   and name HE  ))
 OR {  710}
   (( segid "    " and resid 15   and name HG3 ))
   (  segid "    " and resid 1    and name HD% )
 OR {  710}
   (( segid "    " and resid 15   and name HG3 ))
   (( segid "    " and resid 39   and name HD2 ))
 OR {  710}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 43   and name HZ  ))
 OR {  710}
   (( segid "    " and resid 15   and name HG3 ))
   (( segid "    " and resid 43   and name HZ  ))
 OR {  710}
   (( segid "    " and resid 15   and name HG3 ))
   (( segid "    " and resid 50   and name HE  ))
 OR {  710}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 39   and name HD2 ))
 OR {  710}
   (( segid "    " and resid 56   and name HG2 ))
   (  segid "    " and resid 65   and name HE% )
 OR {  710}
   (( segid "    " and resid 15   and name HG3 ))
   (( segid "    " and resid 55   and name HD2 ))
 OR {  710}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 32   and name HE22))
 OR {  710}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 15   and name HE  ))
 OR {  710}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 67   and name HD2 ))
 OR {  710}
   (( segid "    " and resid 56   and name HG2 ))
   (  segid "    " and resid 1    and name HD% )
 OR {  710}
   (( segid "    " and resid 15   and name HG3 ))
   (( segid "    " and resid 58   and name HD22))
 OR {  710}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 73   and name HD2 ))
 OR {  710}
   (( segid "    " and resid 15   and name HG3 ))
   (  segid "    " and resid 65   and name HE% )
 OR {  710}
   (( segid "    " and resid 15   and name HG3 ))
   (( segid "    " and resid 67   and name HD2 ))
 OR {  710}
   (( segid "    " and resid 56   and name HG2 ))
   (  segid "    " and resid 81   and name HD% )
 OR {  710}
   (( segid "    " and resid 56   and name HG2 ))
   (  segid "    " and resid 81   and name HE% )
 OR {  710}
   (( segid "    " and resid 15   and name HG3 ))
   (( segid "    " and resid 73   and name HD2 ))
 OR {  710}
   (( segid "    " and resid 15   and name HG3 ))
   (  segid "    " and resid 81   and name HD% )
 OR {  710}
   (( segid "    " and resid 15   and name HG3 ))
   (  segid "    " and resid 81   and name HE% )
 ASSI {  711}
   (( segid "    " and resid 15   and name HG2 ))
   (( segid "    " and resid 15   and name HE  ))
      3.900     1.900     1.900 peak   711 spectrum    1 weight  0.10000E+01 volume  0.91617E-03 ppm1      1.478 ppm2      7.074 CV     1
 OR {  711}
   (( segid "    " and resid 15   and name HG2 ))
   (  segid "    " and resid 14   and name HD% )
 OR {  711}
   (( segid "    " and resid 15   and name HG2 ))
   (( segid "    " and resid 32   and name HE22))
 OR {  711}
   (( segid "    " and resid 15   and name HG2 ))
   (( segid "    " and resid 39   and name HD2 ))
 OR {  711}
   (( segid "    " and resid 15   and name HG2 ))
   (( segid "    " and resid 40   and name H   ))
 OR {  711}
   (( segid "    " and resid 15   and name HG2 ))
   (( segid "    " and resid 43   and name HZ  ))
 OR {  711}
   (( segid "    " and resid 15   and name HG2 ))
   (( segid "    " and resid 50   and name HE  ))
 OR {  711}
   (( segid "    " and resid 15   and name HG2 ))
   (( segid "    " and resid 55   and name HD2 ))
 OR {  711}
   (( segid "    " and resid 15   and name HG2 ))
   (( segid "    " and resid 58   and name HD22))
 OR {  711}
   (( segid "    " and resid 15   and name HG2 ))
   (  segid "    " and resid 65   and name HE% )
 OR {  711}
   (( segid "    " and resid 15   and name HG2 ))
   (( segid "    " and resid 67   and name HD2 ))
 OR {  711}
   (( segid "    " and resid 15   and name HG2 ))
   (( segid "    " and resid 73   and name HD2 ))
 OR {  711}
   (( segid "    " and resid 15   and name HG2 ))
   (  segid "    " and resid 81   and name HD% )
 ASSI {  712}
   (( segid "    " and resid 15   and name HG2 ))
   (( segid "    " and resid 15   and name HD3 ))
      2.200     0.600     0.600 peak   712 spectrum    1 weight  0.10000E+01 volume  0.62410E-02 ppm1      1.473 ppm2      2.823 CV     1
 OR {  712}
   (( segid "    " and resid 15   and name HG2 ))
   (( segid "    " and resid 15   and name HD2 ))
 OR {  712}
   (( segid "    " and resid 15   and name HG2 ))
   (( segid "    " and resid 16   and name HE2 ))
 OR {  712}
   (( segid "    " and resid 15   and name HG2 ))
   (( segid "    " and resid 16   and name HE3 ))
 OR {  712}
   (( segid "    " and resid 15   and name HG2 ))
   (( segid "    " and resid 9    and name HB3 ))
 OR {  712}
   (( segid "    " and resid 15   and name HG2 ))
   (( segid "    " and resid 55   and name HB2 ))
 OR {  712}
   (( segid "    " and resid 15   and name HG2 ))
   (( segid "    " and resid 58   and name HB2 ))
 OR {  712}
   (( segid "    " and resid 15   and name HG2 ))
   (( segid "    " and resid 71   and name HE3 ))
 OR {  712}
   (( segid "    " and resid 15   and name HG2 ))
   (( segid "    " and resid 71   and name HE2 ))
 ASSI {  713}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 14   and name HB3 ))
      3.400     1.500     1.500 peak   713 spectrum    1 weight  0.10000E+01 volume  0.12382E-02 ppm1      4.354 ppm2      3.111 CV     1
 OR {  713}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
 OR {  713}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 38   and name HB3 ))
 OR {  713}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 39   and name HB2 ))
 OR {  713}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 1    and name HB3 ))
 OR {  713}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 1    and name HB2 ))
 OR {  713}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 50   and name HD3 ))
 OR {  713}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 24   and name HD3 ))
 OR {  713}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 24   and name HD2 ))
 OR {  713}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 46   and name HB2 ))
 OR {  713}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 58   and name HB3 ))
 OR {  713}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 64   and name HB2 ))
 OR {  713}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 65   and name HB2 ))
 OR {  713}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 67   and name HB3 ))
 OR {  713}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 67   and name HB2 ))
 OR {  713}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 70   and name HD2 ))
 OR {  713}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 70   and name HD3 ))
 OR {  713}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 73   and name HB2 ))
 OR {  713}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 81   and name HB2 ))
 OR {  713}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 85   and name HD3 ))
 OR {  713}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 85   and name HD2 ))
 ASSI {  714}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 14   and name H   ))
      2.600     0.900     0.900 peak   714 spectrum    1 weight  0.10000E+01 volume  0.32482E-02 ppm1      4.360 ppm2      8.932 CV     1
 OR {  714}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 53   and name H   ))
 OR {  714}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 46   and name H   ))
 OR {  714}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 20   and name H   ))
 ASSI {  715}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HG  ))
      3.000     1.100     1.100 peak   715 spectrum    1 weight  0.10000E+01 volume  0.14492E-02 ppm1      1.131 ppm2      1.605 CV     1
 OR {  715}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 31   and name HB2 ))
 OR {  715}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 33   and name HB3 ))
 OR {  715}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {  715}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {  715}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 3    and name HG  ))
 OR {  715}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 45   and name HG  ))
 OR {  715}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 45   and name HB3 ))
 OR {  715}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {  715}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {  715}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {  715}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 22   and name HB3 ))
 OR {  715}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 21   and name HD2 ))
 OR {  715}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 21   and name HD3 ))
 OR {  715}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 70   and name HG2 ))
 OR {  715}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 71   and name HB2 ))
 OR {  715}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {  715}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {  715}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 76   and name HB2 ))
 OR {  715}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 76   and name HG  ))
 OR {  715}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 78   and name HB3 ))
 OR {  715}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 78   and name HD2 ))
 OR {  715}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 78   and name HD3 ))
 OR {  715}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 84   and name HB3 ))
 OR {  715}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 86   and name HD3 ))
 OR {  715}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 86   and name HD2 ))
 ASSI {  716}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 13   and name HB2 ))
      2.300     0.600     0.600 peak   716 spectrum    1 weight  0.10000E+01 volume  0.72570E-02 ppm1      0.883 ppm2      1.100 CV     1
 OR {  716}
   (  segid "    " and resid 13   and name HD1%)
   (  segid "    " and resid 7    and name HG2%)
 OR {  716}
   (  segid "    " and resid 13   and name HD1%)
   (  segid "    " and resid 11   and name HG2%)
 OR {  716}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 31   and name HG  ))
 OR {  716}
   (  segid "    " and resid 13   and name HD1%)
   (  segid "    " and resid 42   and name HB% )
 OR {  716}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 27   and name HG13))
 OR {  716}
   (  segid "    " and resid 13   and name HD1%)
   (  segid "    " and resid 75   and name HG2%)
 ASSI {  717}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 40   and name HG  ))
      3.000     1.100     1.100 peak   717 spectrum    1 weight  0.10000E+01 volume  0.34870E-02 ppm1      0.884 ppm2      1.217 CV     1
 OR {  717}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 31   and name HB3 ))
 OR {  717}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 16   and name HB3 ))
 OR {  717}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 40   and name HB3 ))
 OR {  717}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 16   and name HG2 ))
 OR {  717}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 16   and name HG3 ))
 OR {  717}
   (  segid "    " and resid 13   and name HD1%)
   (  segid "    " and resid 34   and name HB% )
 OR {  717}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 18   and name HB3 ))
 OR {  717}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 52   and name HG12))
 OR {  717}
   (  segid "    " and resid 13   and name HD1%)
   (  segid "    " and resid 54   and name HG2%)
 OR {  717}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 54   and name HG13))
 OR {  717}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 54   and name HG12))
 OR {  717}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 50   and name HG3 ))
 OR {  717}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 61   and name HG  ))
 OR {  717}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 71   and name HG2 ))
 OR {  717}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 79   and name HB3 ))
 ASSI {  718}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 15   and name HB2 ))
      3.300     1.400     1.400 peak   718 spectrum    1 weight  0.10000E+01 volume  0.27762E-02 ppm1      0.887 ppm2      1.390 CV     1
 OR {  718}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 15   and name HG3 ))
 OR {  718}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 40   and name HB2 ))
 OR {  718}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 25   and name HG2 ))
 OR {  718}
   (  segid "    " and resid 13   and name HD1%)
   (  segid "    " and resid 48   and name HB% )
 OR {  718}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 23   and name HB2 ))
 OR {  718}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 23   and name HG  ))
 OR {  718}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 22   and name HG  ))
 OR {  718}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 21   and name HG2 ))
 OR {  718}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 56   and name HG2 ))
 OR {  718}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 61   and name HB2 ))
 OR {  718}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 71   and name HG3 ))
 OR {  718}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 72   and name HB2 ))
 OR {  718}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 72   and name HG  ))
 OR {  718}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 78   and name HG2 ))
 OR {  718}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 78   and name HG3 ))
 OR {  718}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 79   and name HG  ))
 OR {  718}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 79   and name HB2 ))
 OR {  718}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 86   and name HG2 ))
 OR {  718}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 86   and name HG3 ))
 ASSI {  719}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 6    and name H   ))
      2.500     0.800     0.800 peak   719 spectrum    1 weight  0.10000E+01 volume  0.14270E-02 ppm1      0.884 ppm2      8.383 CV     1
 OR {  719}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 38   and name H   ))
 OR {  719}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 33   and name H   ))
 OR {  719}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 18   and name H   ))
 OR {  719}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 2    and name H   ))
 OR {  719}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 43   and name H   ))
 OR {  719}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 49   and name H   ))
 OR {  719}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 55   and name H   ))
 OR {  719}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 69   and name H   ))
 OR {  719}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 82   and name H   ))
 OR {  719}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 87   and name H   ))
 ASSI {  720}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 11   and name HG2%)
      3.000     1.100     1.100 peak   720 spectrum    1 weight  0.10000E+01 volume  0.27707E-02 ppm1      4.481 ppm2      1.104 CV     1
 OR {  720}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HB2 ))
 OR {  720}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 7    and name HG2%)
 OR {  720}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 42   and name HB% )
 OR {  720}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 31   and name HG  ))
 OR {  720}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 27   and name HG13))
 OR {  720}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 75   and name HG2%)
 ASSI {  721}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HE21))
      3.900     1.900     1.900 peak   721 spectrum    1 weight  0.10000E+01 volume  0.14881E-02 ppm1      4.483 ppm2      6.855 CV     1
 OR {  721}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 43   and name HD% )
 OR {  721}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 49   and name HE22))
 OR {  721}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 57   and name HE22))
 OR {  721}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 64   and name HD1 ))
 OR {  721}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 63   and name HE22))
 OR {  721}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 64   and name HH2 ))
 OR {  721}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 65   and name HZ  ))
 OR {  721}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 80   and name HD22))
 ASSI {  722}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name H   ))
      3.100     1.200     1.200 peak   722 spectrum    1 weight  0.10000E+01 volume  0.16657E-02 ppm1      4.489 ppm2      7.775 CV     1
 OR {  722}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 55   and name HE1 ))
 OR {  722}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 12   and name H   ))
 OR {  722}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 24   and name H   ))
 OR {  722}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 55   and name HE1 ))
 OR {  722}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 23   and name H   ))
 OR {  722}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 64   and name H   ))
 OR {  722}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 24   and name H   ))
 OR {  722}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 12   and name H   ))
 OR {  722}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 23   and name H   ))
 OR {  722}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 55   and name HE1 ))
 OR {  722}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 64   and name H   ))
 OR {  722}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 24   and name H   ))
 OR {  722}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 23   and name H   ))
 OR {  722}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 64   and name H   ))
 ASSI {  723}
   (( segid "    " and resid 28   and name HG2 ))
   (( segid "    " and resid 28   and name HE21))
      3.100     1.200     1.200 peak   723 spectrum    1 weight  0.10000E+01 volume  0.53027E-02 ppm1      2.258 ppm2      7.438 CV     1
 OR {  723}
   (( segid "    " and resid 12   and name HG3 ))
   (( segid "    " and resid 12   and name HE22))
 OR {  723}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 12   and name HE22))
 OR {  723}
   (( segid "    " and resid 28   and name HG2 ))
   (( segid "    " and resid 12   and name HE22))
 OR {  723}
   (( segid "    " and resid 12   and name HG3 ))
   (( segid "    " and resid 28   and name HE21))
 OR {  723}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 28   and name HE21))
 OR {  723}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 58   and name HD21))
 OR {  723}
   (( segid "    " and resid 12   and name HG3 ))
   (( segid "    " and resid 58   and name HD21))
 OR {  723}
   (( segid "    " and resid 28   and name HG2 ))
   (( segid "    " and resid 58   and name HD21))
 OR {  723}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 63   and name HE21))
 OR {  723}
   (( segid "    " and resid 12   and name HG3 ))
   (( segid "    " and resid 63   and name HE21))
 OR {  723}
   (( segid "    " and resid 28   and name HG2 ))
   (( segid "    " and resid 63   and name HE21))
 ASSI {  724}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 12   and name HA  ))
      2.900     1.000     1.000 peak   724 spectrum    1 weight  0.10000E+01 volume  0.39533E-02 ppm1      1.983 ppm2      4.480 CV     1
 OR {  724}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 9    and name HA  ))
 OR {  724}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 40   and name HA  ))
 OR {  724}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 10   and name HA  ))
 OR {  724}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 14   and name HA  ))
 OR {  724}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 44   and name HA  ))
 OR {  724}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 31   and name HA  ))
 OR {  724}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 52   and name HA  ))
 OR {  724}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 32   and name HA  ))
 OR {  724}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 3    and name HA  ))
 OR {  724}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 17   and name HA  ))
 OR {  724}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 18   and name HA  ))
 OR {  724}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 49   and name HA  ))
 OR {  724}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 57   and name HA  ))
 OR {  724}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 59   and name HA  ))
 OR {  724}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 67   and name HA  ))
 OR {  724}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 76   and name HA  ))
 OR {  724}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 81   and name HA  ))
 OR {  724}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 87   and name HA  ))
 ASSI {  725}
   (( segid "    " and resid 11   and name HB  ))
   (( segid "    " and resid 12   and name HG2 ))
      3.700     1.700     1.700 peak   725 spectrum    1 weight  0.10000E+01 volume  0.17990E-02 ppm1      4.226 ppm2      2.254 CV     1
 OR {  725}
   (( segid "    " and resid 11   and name HB  ))
   (( segid "    " and resid 12   and name HG3 ))
 OR {  725}
   (( segid "    " and resid 11   and name HB  ))
   (( segid "    " and resid 33   and name HG2 ))
 OR {  725}
   (( segid "    " and resid 11   and name HB  ))
   (( segid "    " and resid 41   and name HG2 ))
 OR {  725}
   (( segid "    " and resid 11   and name HB  ))
   (( segid "    " and resid 54   and name HB  ))
 OR {  725}
   (( segid "    " and resid 11   and name HB  ))
   (( segid "    " and resid 32   and name HG2 ))
 OR {  725}
   (( segid "    " and resid 11   and name HB  ))
   (( segid "    " and resid 5    and name HB2 ))
 OR {  725}
   (( segid "    " and resid 11   and name HB  ))
   (( segid "    " and resid 49   and name HB2 ))
 OR {  725}
   (( segid "    " and resid 11   and name HB  ))
   (( segid "    " and resid 49   and name HG2 ))
 OR {  725}
   (( segid "    " and resid 11   and name HB  ))
   (( segid "    " and resid 49   and name HG3 ))
 OR {  725}
   (( segid "    " and resid 11   and name HB  ))
   (( segid "    " and resid 4    and name HB3 ))
 OR {  725}
   (( segid "    " and resid 11   and name HB  ))
   (( segid "    " and resid 30   and name HG2 ))
 OR {  725}
   (( segid "    " and resid 11   and name HB  ))
   (( segid "    " and resid 56   and name HD3 ))
 OR {  725}
   (( segid "    " and resid 11   and name HB  ))
   (( segid "    " and resid 28   and name HG2 ))
 OR {  725}
   (( segid "    " and resid 11   and name HB  ))
   (( segid "    " and resid 17   and name HB2 ))
 OR {  725}
   (( segid "    " and resid 11   and name HB  ))
   (( segid "    " and resid 63   and name HG3 ))
 OR {  725}
   (( segid "    " and resid 11   and name HB  ))
   (( segid "    " and resid 63   and name HG2 ))
 OR {  725}
   (( segid "    " and resid 11   and name HB  ))
   (( segid "    " and resid 66   and name HG3 ))
 OR {  725}
   (( segid "    " and resid 11   and name HB  ))
   (( segid "    " and resid 69   and name HG3 ))
 ASSI {  726}
   (( segid "    " and resid 11   and name HB  ))
   (  segid "    " and resid 40   and name HD2%)
      2.100     0.500     0.500 peak   726 spectrum    1 weight  0.10000E+01 volume  0.21600E-02 ppm1      4.223 ppm2      0.762 CV     1
 OR {  726}
   (( segid "    " and resid 11   and name HB  ))
   (( segid "    " and resid 52   and name HG13))
 OR {  726}
   (( segid "    " and resid 11   and name HB  ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  726}
   (( segid "    " and resid 11   and name HB  ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  726}
   (( segid "    " and resid 11   and name HB  ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  726}
   (( segid "    " and resid 11   and name HB  ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  726}
   (( segid "    " and resid 11   and name HB  ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  726}
   (( segid "    " and resid 11   and name HB  ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  726}
   (( segid "    " and resid 11   and name HB  ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  726}
   (( segid "    " and resid 11   and name HB  ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  726}
   (( segid "    " and resid 11   and name HB  ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  726}
   (( segid "    " and resid 11   and name HB  ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  726}
   (( segid "    " and resid 11   and name HB  ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  726}
   (( segid "    " and resid 11   and name HB  ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  726}
   (( segid "    " and resid 11   and name HB  ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  726}
   (( segid "    " and resid 11   and name HB  ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  726}
   (( segid "    " and resid 11   and name HB  ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  726}
   (( segid "    " and resid 11   and name HB  ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  726}
   (( segid "    " and resid 11   and name HB  ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  726}
   (( segid "    " and resid 11   and name HB  ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  726}
   (( segid "    " and resid 11   and name HB  ))
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  727}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 40   and name HD2%)
      2.600     0.900     0.900 peak   727 spectrum    1 weight  0.10000E+01 volume  0.91560E-02 ppm1      4.297 ppm2      0.761 CV     1
 OR {  727}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  727}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 52   and name HG13))
 OR {  727}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  727}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  727}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  727}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 47   and name HD1%)
 OR {  727}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 47   and name HD2%)
 OR {  727}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 27   and name HD1%)
 OR {  727}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  727}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  727}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 18   and name HD2%)
 OR {  727}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  727}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 22   and name HD1%)
 OR {  727}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  727}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  727}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  727}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  727}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 79   and name HD2%)
 OR {  727}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  727}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  728}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 12   and name H   ))
      3.300     1.400     1.400 peak   728 spectrum    1 weight  0.10000E+01 volume  0.13770E-02 ppm1      1.084 ppm2      7.774 CV     1
 OR {  728}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 55   and name HE1 ))
 OR {  728}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 24   and name H   ))
 OR {  728}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 23   and name H   ))
 OR {  728}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 64   and name H   ))
 ASSI {  729}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 9    and name HB2 ))
      3.400     1.500     1.500 peak   729 spectrum    1 weight  0.10000E+01 volume  0.17601E-02 ppm1      1.083 ppm2      2.622 CV     1
 OR {  729}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 35   and name HB3 ))
 OR {  729}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 43   and name HB2 ))
 OR {  729}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 43   and name HB3 ))
 OR {  729}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 53   and name HB2 ))
 OR {  729}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 37   and name HB2 ))
 OR {  729}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 20   and name HB2 ))
 OR {  729}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 20   and name HB3 ))
 OR {  729}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 80   and name HB2 ))
 ASSI {  730}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 12   and name HG3 ))
      3.600     1.600     1.600 peak   730 spectrum    1 weight  0.10000E+01 volume  0.21932E-02 ppm1      1.087 ppm2      2.252 CV     1
 OR {  730}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 12   and name HG2 ))
 OR {  730}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 33   and name HG2 ))
 OR {  730}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 32   and name HG2 ))
 OR {  730}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 5    and name HB2 ))
 OR {  730}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 41   and name HG2 ))
 OR {  730}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 54   and name HB  ))
 OR {  730}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 4    and name HB3 ))
 OR {  730}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 30   and name HG2 ))
 OR {  730}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 49   and name HB2 ))
 OR {  730}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 49   and name HG2 ))
 OR {  730}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 49   and name HG3 ))
 OR {  730}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 28   and name HG2 ))
 OR {  730}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 17   and name HB2 ))
 OR {  730}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 63   and name HG3 ))
 OR {  730}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 63   and name HG2 ))
 OR {  730}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 66   and name HG3 ))
 OR {  730}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 69   and name HG3 ))
 ASSI {  731}
   (  segid "    " and resid 11   and name HG2%)
   (  segid "    " and resid 40   and name HD2%)
      2.700     0.900     0.900 peak   731 spectrum    1 weight  0.10000E+01 volume  0.65574E-02 ppm1      1.087 ppm2      0.763 CV     1
 OR {  731}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 52   and name HG13))
 OR {  731}
   (  segid "    " and resid 11   and name HG2%)
   (  segid "    " and resid 40   and name HD1%)
 OR {  731}
   (  segid "    " and resid 11   and name HG2%)
   (  segid "    " and resid 29   and name HG1%)
 OR {  731}
   (  segid "    " and resid 11   and name HG2%)
   (  segid "    " and resid 44   and name HG2%)
 OR {  731}
   (  segid "    " and resid 11   and name HG2%)
   (  segid "    " and resid 54   and name HD1%)
 OR {  731}
   (  segid "    " and resid 11   and name HG2%)
   (  segid "    " and resid 47   and name HD1%)
 OR {  731}
   (  segid "    " and resid 11   and name HG2%)
   (  segid "    " and resid 47   and name HD2%)
 OR {  731}
   (  segid "    " and resid 11   and name HG2%)
   (  segid "    " and resid 27   and name HD1%)
 OR {  731}
   (  segid "    " and resid 11   and name HG2%)
   (  segid "    " and resid 2    and name HD1%)
 OR {  731}
   (  segid "    " and resid 11   and name HG2%)
   (  segid "    " and resid 18   and name HD2%)
 OR {  731}
   (  segid "    " and resid 11   and name HG2%)
   (  segid "    " and resid 2    and name HD2%)
 OR {  731}
   (  segid "    " and resid 11   and name HG2%)
   (  segid "    " and resid 18   and name HD1%)
 OR {  731}
   (  segid "    " and resid 11   and name HG2%)
   (  segid "    " and resid 22   and name HD1%)
 OR {  731}
   (  segid "    " and resid 11   and name HG2%)
   (  segid "    " and resid 72   and name HD2%)
 OR {  731}
   (  segid "    " and resid 11   and name HG2%)
   (  segid "    " and resid 72   and name HD1%)
 OR {  731}
   (  segid "    " and resid 11   and name HG2%)
   (  segid "    " and resid 76   and name HD2%)
 OR {  731}
   (  segid "    " and resid 11   and name HG2%)
   (  segid "    " and resid 76   and name HD1%)
 OR {  731}
   (  segid "    " and resid 11   and name HG2%)
   (  segid "    " and resid 79   and name HD2%)
 OR {  731}
   (  segid "    " and resid 11   and name HG2%)
   (  segid "    " and resid 84   and name HD2%)
 OR {  731}
   (  segid "    " and resid 11   and name HG2%)
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  732}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 11   and name HG2%)
      3.900     1.900     1.900 peak   732 spectrum    1 weight  0.10000E+01 volume  0.14603E-02 ppm1      2.734 ppm2      1.063 CV     1
 OR {  732}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 42   and name HB% )
 OR {  732}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 13   and name HB2 ))
 OR {  732}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 27   and name HG13))
 OR {  732}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 75   and name HG2%)
 ASSI {  733}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 45   and name HD2%)
      3.500     1.600     1.600 peak   733 spectrum    1 weight  0.10000E+01 volume  0.13881E-02 ppm1      2.734 ppm2      0.572 CV     1
 OR {  733}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 45   and name HD1%)
 OR {  733}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 13   and name HD2%)
 OR {  733}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 29   and name HG2%)
 OR {  733}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 57   and name H   ))
 ASSI {  734}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 9    and name HB2 ))
      3.900     1.900     1.900 peak   734 spectrum    1 weight  0.10000E+01 volume  0.10772E-02 ppm1      4.293 ppm2      2.642 CV     1
 OR {  734}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 37   and name HB2 ))
 OR {  734}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 35   and name HB3 ))
 OR {  734}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 43   and name HB2 ))
 OR {  734}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 43   and name HB3 ))
 OR {  734}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 53   and name HB2 ))
 OR {  734}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 55   and name HB3 ))
 OR {  734}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 20   and name HB2 ))
 OR {  734}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 20   and name HB3 ))
 OR {  734}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 80   and name HB2 ))
 ASSI {  735}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 9    and name H   ))
      2.000     0.500     0.500 peak   735 spectrum    1 weight  0.10000E+01 volume  0.13076E-01 ppm1      4.290 ppm2      8.227 CV     1
 OR {  735}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name H   ))
 OR {  735}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 7    and name H   ))
 OR {  735}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 3    and name H   ))
 OR {  735}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 58   and name H   ))
 OR {  735}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 73   and name H   ))
 OR {  735}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 76   and name H   ))
 OR {  735}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 78   and name H   ))
 OR {  735}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 80   and name H   ))
 OR {  735}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 81   and name H   ))
 OR {  735}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 86   and name H   ))
 ASSI {  736}
   (  segid "    " and resid 8    and name HB% )
   (  segid "    " and resid 13   and name HD2%)
      4.100     2.100     1.900 peak   736 spectrum    1 weight  0.10000E+01 volume  0.11716E-02 ppm1      1.303 ppm2      0.626 CV     1
 OR {  736}
   (  segid "    " and resid 8    and name HB% )
   (  segid "    " and resid 52   and name HG2%)
 OR {  736}
   (  segid "    " and resid 8    and name HB% )
   (  segid "    " and resid 31   and name HD1%)
 OR {  736}
   (  segid "    " and resid 8    and name HB% )
   (  segid "    " and resid 45   and name HD2%)
 OR {  736}
   (  segid "    " and resid 8    and name HB% )
   (  segid "    " and resid 45   and name HD1%)
 OR {  736}
   (  segid "    " and resid 8    and name HB% )
   (  segid "    " and resid 26   and name HG2%)
 OR {  736}
   (  segid "    " and resid 8    and name HB% )
   (  segid "    " and resid 18   and name HD1%)
 OR {  736}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 57   and name H   ))
 OR {  736}
   (  segid "    " and resid 8    and name HB% )
   (  segid "    " and resid 22   and name HD2%)
 OR {  736}
   (  segid "    " and resid 8    and name HB% )
   (  segid "    " and resid 79   and name HD1%)
 ASSI {  737}
   (  segid "    " and resid 8    and name HB% )
   (  segid "    " and resid 40   and name HD1%)
      3.300     1.300     1.300 peak   737 spectrum    1 weight  0.10000E+01 volume  0.35481E-02 ppm1      1.304 ppm2      0.804 CV     1
 OR {  737}
   (  segid "    " and resid 8    and name HB% )
   (  segid "    " and resid 29   and name HG1%)
 OR {  737}
   (  segid "    " and resid 8    and name HB% )
   (  segid "    " and resid 44   and name HG2%)
 OR {  737}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 52   and name HG13))
 OR {  737}
   (  segid "    " and resid 8    and name HB% )
   (  segid "    " and resid 54   and name HD1%)
 OR {  737}
   (  segid "    " and resid 8    and name HB% )
   (  segid "    " and resid 3    and name HD2%)
 OR {  737}
   (  segid "    " and resid 8    and name HB% )
   (  segid "    " and resid 3    and name HD1%)
 OR {  737}
   (  segid "    " and resid 8    and name HB% )
   (  segid "    " and resid 2    and name HD1%)
 OR {  737}
   (  segid "    " and resid 8    and name HB% )
   (  segid "    " and resid 26   and name HG1%)
 OR {  737}
   (  segid "    " and resid 8    and name HB% )
   (  segid "    " and resid 2    and name HD2%)
 OR {  737}
   (  segid "    " and resid 8    and name HB% )
   (  segid "    " and resid 22   and name HD1%)
 OR {  737}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 23   and name HB3 ))
 OR {  737}
   (  segid "    " and resid 8    and name HB% )
   (  segid "    " and resid 72   and name HD2%)
 OR {  737}
   (  segid "    " and resid 8    and name HB% )
   (  segid "    " and resid 72   and name HD1%)
 OR {  737}
   (  segid "    " and resid 8    and name HB% )
   (  segid "    " and resid 76   and name HD2%)
 OR {  737}
   (  segid "    " and resid 8    and name HB% )
   (  segid "    " and resid 76   and name HD1%)
 OR {  737}
   (  segid "    " and resid 8    and name HB% )
   (  segid "    " and resid 84   and name HD2%)
 OR {  737}
   (  segid "    " and resid 8    and name HB% )
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  738}
   (  segid "    " and resid 8    and name HB% )
   (  segid "    " and resid 40   and name HD2%)
      3.000     1.100     1.100 peak   738 spectrum    1 weight  0.10000E+01 volume  0.23376E-02 ppm1      1.305 ppm2      0.724 CV     1
 OR {  738}
   (  segid "    " and resid 8    and name HB% )
   (  segid "    " and resid 40   and name HD1%)
 OR {  738}
   (  segid "    " and resid 8    and name HB% )
   (  segid "    " and resid 29   and name HG1%)
 OR {  738}
   (  segid "    " and resid 8    and name HB% )
   (  segid "    " and resid 44   and name HG2%)
 OR {  738}
   (  segid "    " and resid 8    and name HB% )
   (  segid "    " and resid 54   and name HD1%)
 OR {  738}
   (  segid "    " and resid 8    and name HB% )
   (  segid "    " and resid 47   and name HD1%)
 OR {  738}
   (  segid "    " and resid 8    and name HB% )
   (  segid "    " and resid 2    and name HD1%)
 OR {  738}
   (  segid "    " and resid 8    and name HB% )
   (  segid "    " and resid 47   and name HD2%)
 OR {  738}
   (  segid "    " and resid 8    and name HB% )
   (  segid "    " and resid 26   and name HG2%)
 OR {  738}
   (  segid "    " and resid 8    and name HB% )
   (  segid "    " and resid 27   and name HD1%)
 OR {  738}
   (  segid "    " and resid 8    and name HB% )
   (  segid "    " and resid 18   and name HD2%)
 OR {  738}
   (  segid "    " and resid 8    and name HB% )
   (  segid "    " and resid 18   and name HD1%)
 OR {  738}
   (  segid "    " and resid 8    and name HB% )
   (  segid "    " and resid 22   and name HD1%)
 OR {  738}
   (  segid "    " and resid 8    and name HB% )
   (  segid "    " and resid 22   and name HD2%)
 OR {  738}
   (  segid "    " and resid 8    and name HB% )
   (  segid "    " and resid 72   and name HD2%)
 OR {  738}
   (  segid "    " and resid 8    and name HB% )
   (  segid "    " and resid 72   and name HD1%)
 OR {  738}
   (  segid "    " and resid 8    and name HB% )
   (  segid "    " and resid 76   and name HD2%)
 OR {  738}
   (  segid "    " and resid 8    and name HB% )
   (  segid "    " and resid 79   and name HD1%)
 OR {  738}
   (  segid "    " and resid 8    and name HB% )
   (  segid "    " and resid 79   and name HD2%)
 OR {  738}
   (  segid "    " and resid 8    and name HB% )
   (  segid "    " and resid 84   and name HD2%)
 ASSI {  739}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 12   and name HB3 ))
      4.500     2.500     1.500 peak   739 spectrum    1 weight  0.10000E+01 volume  0.13770E-02 ppm1      1.304 ppm2      1.978 CV     1
 OR {  739}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 12   and name HB2 ))
 OR {  739}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 13   and name HB3 ))
 OR {  739}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 5    and name HG2 ))
 OR {  739}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 5    and name HG3 ))
 OR {  739}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 44   and name HB  ))
 OR {  739}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 33   and name HB2 ))
 OR {  739}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 4    and name HG3 ))
 OR {  739}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 4    and name HG2 ))
 OR {  739}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 30   and name HB2 ))
 OR {  739}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 28   and name HB2 ))
 OR {  739}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 49   and name HB3 ))
 OR {  739}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 25   and name HB3 ))
 OR {  739}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 25   and name HB2 ))
 OR {  739}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 57   and name HB3 ))
 OR {  739}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 59   and name HG2 ))
 OR {  739}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 59   and name HB2 ))
 OR {  739}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 63   and name HB2 ))
 OR {  739}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 63   and name HB3 ))
 OR {  739}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 66   and name HB2 ))
 OR {  739}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 66   and name HB3 ))
 OR {  739}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 69   and name HB3 ))
 OR {  739}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 69   and name HB2 ))
 OR {  739}
   (  segid "    " and resid 8    and name HB% )
   (  segid "    " and resid 83   and name HE% )
 OR {  739}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 83   and name HB3 ))
 OR {  739}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 83   and name HB2 ))
 OR {  739}
   (  segid "    " and resid 8    and name HB% )
   (  segid "    " and resid 87   and name HE% )
 OR {  739}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 87   and name HB3 ))
 ASSI {  740}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 12   and name HB2 ))
      5.100     3.200     0.900 peak   740 spectrum    1 weight  0.10000E+01 volume  0.13826E-02 ppm1      1.303 ppm2      1.895 CV     1
 OR {  740}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 13   and name HB3 ))
 OR {  740}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 5    and name HG2 ))
 OR {  740}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 15   and name HB3 ))
 OR {  740}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 41   and name HG3 ))
 OR {  740}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 5    and name HB3 ))
 OR {  740}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 5    and name HG3 ))
 OR {  740}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 44   and name HB  ))
 OR {  740}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 4    and name HG3 ))
 OR {  740}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 30   and name HB2 ))
 OR {  740}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 32   and name HB2 ))
 OR {  740}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 28   and name HB3 ))
 OR {  740}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 50   and name HB3 ))
 OR {  740}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 17   and name HG2 ))
 OR {  740}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 49   and name HB3 ))
 OR {  740}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 47   and name HB3 ))
 OR {  740}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 56   and name HB3 ))
 OR {  740}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 25   and name HB2 ))
 OR {  740}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 24   and name HB2 ))
 OR {  740}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 57   and name HB3 ))
 OR {  740}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 63   and name HB2 ))
 OR {  740}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 66   and name HB2 ))
 OR {  740}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 68   and name HG2 ))
 OR {  740}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 68   and name HB2 ))
 OR {  740}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 69   and name HB2 ))
 OR {  740}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 77   and name HG2 ))
 OR {  740}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 77   and name HG3 ))
 OR {  740}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 83   and name HB2 ))
 OR {  740}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 87   and name HB3 ))
 ASSI {  741}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 12   and name HG3 ))
      4.500     2.600     1.500 peak   741 spectrum    1 weight  0.10000E+01 volume  0.89395E-03 ppm1      1.306 ppm2      2.250 CV     1
 OR {  741}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 12   and name HG2 ))
 OR {  741}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 5    and name HB2 ))
 OR {  741}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 41   and name HG2 ))
 OR {  741}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 33   and name HG2 ))
 OR {  741}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 4    and name HB3 ))
 OR {  741}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 32   and name HG2 ))
 OR {  741}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 54   and name HB  ))
 OR {  741}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 30   and name HG2 ))
 OR {  741}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 28   and name HG2 ))
 OR {  741}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 17   and name HB2 ))
 OR {  741}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 49   and name HB2 ))
 OR {  741}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 49   and name HG3 ))
 OR {  741}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 49   and name HG2 ))
 OR {  741}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 63   and name HG3 ))
 OR {  741}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 63   and name HG2 ))
 OR {  741}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 66   and name HG3 ))
 OR {  741}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 69   and name HG3 ))
 ASSI {  742}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 9    and name HB2 ))
      4.200     2.200     1.800 peak   742 spectrum    1 weight  0.10000E+01 volume  0.13826E-02 ppm1      1.300 ppm2      2.630 CV     1
 OR {  742}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 37   and name HB2 ))
 OR {  742}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 35   and name HB3 ))
 OR {  742}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 43   and name HB2 ))
 OR {  742}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 43   and name HB3 ))
 OR {  742}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 53   and name HB2 ))
 OR {  742}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 20   and name HB2 ))
 OR {  742}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 20   and name HB3 ))
 OR {  742}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 80   and name HB2 ))
 ASSI {  743}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 9    and name HB3 ))
      4.800     2.800     1.200 peak   743 spectrum    1 weight  0.10000E+01 volume  0.78290E-03 ppm1      1.301 ppm2      2.907 CV     1
 OR {  743}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 38   and name HB2 ))
 OR {  743}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 15   and name HD3 ))
 OR {  743}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 16   and name HE2 ))
 OR {  743}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 16   and name HE3 ))
 OR {  743}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 55   and name HB2 ))
 OR {  743}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 25   and name HE2 ))
 OR {  743}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 25   and name HE3 ))
 OR {  743}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 21   and name HE3 ))
 OR {  743}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 21   and name HE2 ))
 OR {  743}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 71   and name HE2 ))
 OR {  743}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 71   and name HE3 ))
 OR {  743}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 78   and name HE3 ))
 OR {  743}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 78   and name HE2 ))
 OR {  743}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 81   and name HB3 ))
 OR {  743}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 86   and name HE2 ))
 OR {  743}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 86   and name HE3 ))
 ASSI {  744}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 6    and name HB2 ))
      3.700     1.700     1.700 peak   744 spectrum    1 weight  0.10000E+01 volume  0.10161E-02 ppm1      1.304 ppm2      3.812 CV     1
 OR {  744}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 6    and name HB3 ))
 OR {  744}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 36   and name HA2 ))
 OR {  744}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 34   and name HA  ))
 OR {  744}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 4    and name HD3 ))
 OR {  744}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 19   and name HB3 ))
 OR {  744}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 21   and name HA  ))
 OR {  744}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 77   and name HD3 ))
 OR {  744}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 82   and name HA2 ))
 OR {  744}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 82   and name HA3 ))
 ASSI {  745}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 7    and name HB  ))
      3.600     1.600     1.600 peak   745 spectrum    1 weight  0.10000E+01 volume  0.22543E-02 ppm1      1.304 ppm2      4.148 CV     1
 OR {  745}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 1    and name HA  ))
 OR {  745}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 19   and name HB2 ))
 OR {  745}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 20   and name HA  ))
 OR {  745}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 24   and name HA  ))
 OR {  745}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 62   and name HA  ))
 OR {  745}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 63   and name HA  ))
 OR {  745}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 65   and name HA  ))
 OR {  745}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 70   and name HA  ))
 OR {  745}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 71   and name HA  ))
 OR {  745}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 72   and name HA  ))
 OR {  745}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 75   and name HB  ))
 OR {  745}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 78   and name HA  ))
 ASSI {  746}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 9    and name HA  ))
      3.800     1.800     1.800 peak   746 spectrum    1 weight  0.10000E+01 volume  0.15714E-02 ppm1      1.304 ppm2      4.510 CV     1
 OR {  746}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 12   and name HA  ))
 OR {  746}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 10   and name HA  ))
 OR {  746}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 14   and name HA  ))
 OR {  746}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 4    and name HA  ))
 OR {  746}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 44   and name HA  ))
 OR {  746}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 52   and name HA  ))
 OR {  746}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 31   and name HA  ))
 OR {  746}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 3    and name HA  ))
 OR {  746}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 32   and name HA  ))
 OR {  746}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 45   and name HA  ))
 OR {  746}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 17   and name HA  ))
 OR {  746}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 49   and name HA  ))
 OR {  746}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 57   and name HA  ))
 OR {  746}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 67   and name HA  ))
 OR {  746}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 76   and name HA  ))
 OR {  746}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 87   and name HA  ))
 ASSI {  747}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 5    and name HD3 ))
      3.600     1.600     1.600 peak   747 spectrum    1 weight  0.10000E+01 volume  0.15602E-02 ppm1      4.127 ppm2      3.535 CV     1
 OR {  747}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 4    and name HD2 ))
 OR {  747}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 17   and name HD2 ))
 OR {  747}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 77   and name HD2 ))
 ASSI {  748}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 8    and name HB% )
      2.800     1.000     1.000 peak   748 spectrum    1 weight  0.10000E+01 volume  0.46529E-02 ppm1      4.261 ppm2      1.299 CV     1
 OR {  748}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 40   and name HG  ))
 OR {  748}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 31   and name HB3 ))
 OR {  748}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 16   and name HG3 ))
 OR {  748}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 16   and name HG2 ))
 OR {  748}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 52   and name HG12))
 OR {  748}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 18   and name HB3 ))
 OR {  748}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
 OR {  748}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 54   and name HG12))
 OR {  748}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 54   and name HG13))
 OR {  748}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 50   and name HG3 ))
 OR {  748}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 21   and name HG3 ))
 OR {  748}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 71   and name HG3 ))
 OR {  748}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 71   and name HG2 ))
 OR {  748}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 78   and name HG2 ))
 OR {  748}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 79   and name HB3 ))
 OR {  748}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 86   and name HG2 ))
 ASSI {  749}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 8    and name H   ))
      2.100     0.600     0.600 peak   749 spectrum    1 weight  0.10000E+01 volume  0.13865E-01 ppm1      4.262 ppm2      8.252 CV     1
 OR {  749}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 9    and name H   ))
 OR {  749}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 3    and name H   ))
 OR {  749}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 58   and name H   ))
 OR {  749}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 73   and name H   ))
 OR {  749}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 74   and name H   ))
 OR {  749}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 76   and name H   ))
 OR {  749}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 78   and name H   ))
 OR {  749}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 80   and name H   ))
 OR {  749}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 81   and name H   ))
 OR {  749}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 86   and name H   ))
 ASSI {  750}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name H   ))
      2.900     1.100     1.100 peak   750 spectrum    1 weight  0.10000E+01 volume  0.28040E-02 ppm1      4.258 ppm2      8.073 CV     1
 OR {  750}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 19   and name H   ))
 OR {  750}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 35   and name H   ))
 OR {  750}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 35   and name H   ))
 OR {  750}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 35   and name H   ))
 OR {  750}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 79   and name H   ))
 OR {  750}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 70   and name H   ))
 OR {  750}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 19   and name H   ))
 OR {  750}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 19   and name H   ))
 OR {  750}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 84   and name H   ))
 OR {  750}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 85   and name H   ))
 OR {  750}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 66   and name H   ))
 OR {  750}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 65   and name H   ))
 OR {  750}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 65   and name H   ))
 OR {  750}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 66   and name H   ))
 OR {  750}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 65   and name H   ))
 OR {  750}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 66   and name H   ))
 OR {  750}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 70   and name H   ))
 OR {  750}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 65   and name H   ))
 OR {  750}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 66   and name H   ))
 OR {  750}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 70   and name H   ))
 OR {  750}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 75   and name H   ))
 OR {  750}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 70   and name H   ))
 OR {  750}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 75   and name H   ))
 OR {  750}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 35   and name H   ))
 OR {  750}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 79   and name H   ))
 OR {  750}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 79   and name H   ))
 OR {  750}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 75   and name H   ))
 OR {  750}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 19   and name H   ))
 OR {  750}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 84   and name H   ))
 OR {  750}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 79   and name H   ))
 OR {  750}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 85   and name H   ))
 OR {  750}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 84   and name H   ))
 OR {  750}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 85   and name H   ))
 OR {  750}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 84   and name H   ))
 OR {  750}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 85   and name H   ))
 ASSI {  751}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 7    and name H   ))
      2.800     1.000     1.000 peak   751 spectrum    1 weight  0.10000E+01 volume  0.22099E-02 ppm1      3.809 ppm2      8.193 CV     1
 OR {  751}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 8    and name H   ))
 OR {  751}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 9    and name H   ))
 OR {  751}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 19   and name H   ))
 OR {  751}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 65   and name H   ))
 OR {  751}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 73   and name H   ))
 OR {  751}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 78   and name H   ))
 OR {  751}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 80   and name H   ))
 OR {  751}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 81   and name H   ))
 OR {  751}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 86   and name H   ))
 ASSI {  752}
   (( segid "    " and resid 6    and name HB2 ))
   (  segid "    " and resid 7    and name HG2%)
      4.000     2.000     2.000 peak   752 spectrum    1 weight  0.10000E+01 volume  0.11494E-02 ppm1      3.837 ppm2      1.157 CV     1
 OR {  752}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 13   and name HB2 ))
 OR {  752}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 13   and name HB2 ))
 OR {  752}
   (( segid "    " and resid 6    and name HB3 ))
   (  segid "    " and resid 7    and name HG2%)
 OR {  752}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 16   and name HB3 ))
 OR {  752}
   (( segid "    " and resid 6    and name HB2 ))
   (  segid "    " and resid 11   and name HG2%)
 OR {  752}
   (( segid "    " and resid 6    and name HB3 ))
   (  segid "    " and resid 11   and name HG2%)
 OR {  752}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 40   and name HB3 ))
 OR {  752}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 16   and name HB3 ))
 OR {  752}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 31   and name HG  ))
 OR {  752}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 31   and name HG  ))
 OR {  752}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 40   and name HB3 ))
 OR {  752}
   (( segid "    " and resid 6    and name HB3 ))
   (  segid "    " and resid 34   and name HB% )
 OR {  752}
   (( segid "    " and resid 6    and name HB2 ))
   (  segid "    " and resid 34   and name HB% )
 OR {  752}
   (( segid "    " and resid 6    and name HB2 ))
   (  segid "    " and resid 75   and name HG2%)
 OR {  752}
   (( segid "    " and resid 6    and name HB3 ))
   (  segid "    " and resid 75   and name HG2%)
 ASSI {  753}
   (( segid "    " and resid 6    and name HB2 ))
   (  segid "    " and resid 8    and name HB% )
      3.800     1.800     1.800 peak   753 spectrum    1 weight  0.10000E+01 volume  0.86064E-03 ppm1      3.810 ppm2      1.297 CV     1
 OR {  753}
   (( segid "    " and resid 6    and name HB3 ))
   (  segid "    " and resid 8    and name HB% )
 OR {  753}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 40   and name HG  ))
 OR {  753}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 40   and name HG  ))
 OR {  753}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 31   and name HB3 ))
 OR {  753}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 16   and name HG2 ))
 OR {  753}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 16   and name HG3 ))
 OR {  753}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 31   and name HB3 ))
 OR {  753}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 16   and name HG3 ))
 OR {  753}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 16   and name HG2 ))
 OR {  753}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 18   and name HB3 ))
 OR {  753}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 18   and name HB3 ))
 OR {  753}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 52   and name HG12))
 OR {  753}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 52   and name HG12))
 OR {  753}
   (( segid "    " and resid 6    and name HB2 ))
   (  segid "    " and resid 54   and name HG2%)
 OR {  753}
   (( segid "    " and resid 6    and name HB3 ))
   (  segid "    " and resid 54   and name HG2%)
 OR {  753}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 45   and name HB2 ))
 OR {  753}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 54   and name HG12))
 OR {  753}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 54   and name HG13))
 OR {  753}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 45   and name HB2 ))
 OR {  753}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 54   and name HG12))
 OR {  753}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 54   and name HG13))
 OR {  753}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 21   and name HG3 ))
 OR {  753}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 50   and name HG3 ))
 OR {  753}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 50   and name HG3 ))
 OR {  753}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 21   and name HG3 ))
 OR {  753}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 61   and name HG  ))
 OR {  753}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 61   and name HG  ))
 OR {  753}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 71   and name HG3 ))
 OR {  753}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 71   and name HG2 ))
 OR {  753}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 71   and name HG3 ))
 OR {  753}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 71   and name HG2 ))
 OR {  753}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 78   and name HG2 ))
 OR {  753}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 78   and name HG2 ))
 OR {  753}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 79   and name HB3 ))
 OR {  753}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 79   and name HB3 ))
 OR {  753}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 86   and name HG2 ))
 OR {  753}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 86   and name HG2 ))
 ASSI {  754}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 5    and name HG2 ))
      4.100     2.100     1.900 peak   754 spectrum    1 weight  0.10000E+01 volume  0.13048E-02 ppm1      3.832 ppm2      1.957 CV     1
 OR {  754}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 13   and name HB3 ))
 OR {  754}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 13   and name HB3 ))
 OR {  754}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 5    and name HG2 ))
 OR {  754}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 5    and name HG3 ))
 OR {  754}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 5    and name HG3 ))
 OR {  754}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 12   and name HB3 ))
 OR {  754}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 4    and name HG3 ))
 OR {  754}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 12   and name HB3 ))
 OR {  754}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {  754}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 12   and name HB2 ))
 OR {  754}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 12   and name HB2 ))
 OR {  754}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 4    and name HG3 ))
 OR {  754}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {  754}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 33   and name HB2 ))
 OR {  754}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 33   and name HB2 ))
 OR {  754}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 30   and name HB2 ))
 OR {  754}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 30   and name HB2 ))
 OR {  754}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 32   and name HB2 ))
 OR {  754}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 32   and name HB2 ))
 OR {  754}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 44   and name HB  ))
 OR {  754}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 44   and name HB  ))
 OR {  754}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 25   and name HB2 ))
 OR {  754}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 25   and name HB2 ))
 OR {  754}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 49   and name HB3 ))
 OR {  754}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 47   and name HB3 ))
 OR {  754}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 49   and name HB3 ))
 OR {  754}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 47   and name HB3 ))
 OR {  754}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 57   and name HB3 ))
 OR {  754}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 57   and name HB3 ))
 OR {  754}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 59   and name HG2 ))
 OR {  754}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 59   and name HB2 ))
 OR {  754}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 59   and name HG2 ))
 OR {  754}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 59   and name HB2 ))
 OR {  754}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 63   and name HB2 ))
 OR {  754}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {  754}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 63   and name HB2 ))
 OR {  754}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {  754}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 66   and name HB2 ))
 OR {  754}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 66   and name HB3 ))
 OR {  754}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 66   and name HB2 ))
 OR {  754}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 66   and name HB3 ))
 OR {  754}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 69   and name HB3 ))
 OR {  754}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 69   and name HB3 ))
 OR {  754}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 69   and name HB2 ))
 OR {  754}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 69   and name HB2 ))
 OR {  754}
   (( segid "    " and resid 6    and name HB2 ))
   (  segid "    " and resid 83   and name HE% )
 OR {  754}
   (( segid "    " and resid 6    and name HB3 ))
   (  segid "    " and resid 83   and name HE% )
 OR {  754}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 83   and name HB2 ))
 OR {  754}
   (( segid "    " and resid 6    and name HB2 ))
   (  segid "    " and resid 87   and name HE% )
 OR {  754}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 83   and name HB2 ))
 OR {  754}
   (( segid "    " and resid 6    and name HB3 ))
   (  segid "    " and resid 87   and name HE% )
 OR {  754}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 87   and name HB3 ))
 OR {  754}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 87   and name HB3 ))
 ASSI {  755}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 5    and name HB2 ))
      4.300     2.300     1.700 peak   755 spectrum    1 weight  0.10000E+01 volume  0.96058E-03 ppm1      3.842 ppm2      2.229 CV     1
 OR {  755}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 5    and name HB2 ))
 OR {  755}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 12   and name HG3 ))
 OR {  755}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 4    and name HB3 ))
 OR {  755}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 12   and name HG3 ))
 OR {  755}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 12   and name HG2 ))
 OR {  755}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 4    and name HB3 ))
 OR {  755}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 12   and name HG2 ))
 OR {  755}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 28   and name HG3 ))
 OR {  755}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 30   and name HG2 ))
 OR {  755}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 17   and name HB2 ))
 OR {  755}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 28   and name HG3 ))
 OR {  755}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 33   and name HG2 ))
 OR {  755}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 32   and name HG2 ))
 OR {  755}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 30   and name HG2 ))
 OR {  755}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 33   and name HG2 ))
 OR {  755}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 28   and name HG2 ))
 OR {  755}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 28   and name HG2 ))
 OR {  755}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 32   and name HG2 ))
 OR {  755}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 17   and name HB2 ))
 OR {  755}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 26   and name HB  ))
 OR {  755}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 26   and name HB  ))
 OR {  755}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 54   and name HB  ))
 OR {  755}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 54   and name HB  ))
 OR {  755}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 49   and name HB2 ))
 OR {  755}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 49   and name HB2 ))
 OR {  755}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 49   and name HG3 ))
 OR {  755}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 49   and name HG2 ))
 OR {  755}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 49   and name HG3 ))
 OR {  755}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 49   and name HG2 ))
 OR {  755}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 63   and name HG3 ))
 OR {  755}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 63   and name HG2 ))
 OR {  755}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 63   and name HG3 ))
 OR {  755}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 63   and name HG2 ))
 OR {  755}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 66   and name HG3 ))
 OR {  755}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 66   and name HG3 ))
 OR {  755}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 69   and name HG3 ))
 OR {  755}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 69   and name HG3 ))
 OR {  755}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 77   and name HB3 ))
 OR {  755}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 77   and name HB3 ))
 ASSI {  756}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 6    and name H   ))
      2.300     0.700     0.700 peak   756 spectrum    1 weight  0.10000E+01 volume  0.13631E-01 ppm1      4.375 ppm2      8.354 CV     1
 OR {  756}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 2    and name H   ))
 OR {  756}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 43   and name H   ))
 OR {  756}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 49   and name H   ))
 OR {  756}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 55   and name H   ))
 OR {  756}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 69   and name H   ))
 OR {  756}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 74   and name H   ))
 OR {  756}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 82   and name H   ))
 OR {  756}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 87   and name H   ))
 ASSI {  757}
   (( segid "    " and resid 4    and name HD2 ))
   (( segid "    " and resid 3    and name H   ))
      1.900     0.400     0.400 peak   757 spectrum    1 weight  0.10000E+01 volume  0.16158E-02 ppm1      3.549 ppm2      8.260 CV     1
 OR {  757}
   (( segid "    " and resid 4    and name HD2 ))
   (( segid "    " and resid 8    and name H   ))
 OR {  757}
   (( segid "    " and resid 4    and name HD2 ))
   (( segid "    " and resid 9    and name H   ))
 OR {  757}
   (( segid "    " and resid 4    and name HD2 ))
   (( segid "    " and resid 58   and name H   ))
 OR {  757}
   (( segid "    " and resid 4    and name HD2 ))
   (( segid "    " and resid 73   and name H   ))
 OR {  757}
   (( segid "    " and resid 4    and name HD2 ))
   (( segid "    " and resid 74   and name H   ))
 OR {  757}
   (( segid "    " and resid 4    and name HD2 ))
   (( segid "    " and resid 76   and name H   ))
 OR {  757}
   (( segid "    " and resid 4    and name HD2 ))
   (( segid "    " and resid 78   and name H   ))
 OR {  757}
   (( segid "    " and resid 4    and name HD2 ))
   (( segid "    " and resid 80   and name H   ))
 OR {  757}
   (( segid "    " and resid 4    and name HD2 ))
   (( segid "    " and resid 81   and name H   ))
 OR {  757}
   (( segid "    " and resid 4    and name HD2 ))
   (( segid "    " and resid 86   and name H   ))
 ASSI {  758}
   (( segid "    " and resid 5    and name HG2 ))
   (( segid "    " and resid 6    and name H   ))
      4.200     2.200     1.800 peak   758 spectrum    1 weight  0.10000E+01 volume  0.14936E-02 ppm1      1.917 ppm2      8.361 CV     1
 OR {  758}
   (( segid "    " and resid 5    and name HG3 ))
   (( segid "    " and resid 6    and name H   ))
 OR {  758}
   (( segid "    " and resid 4    and name HG3 ))
   (( segid "    " and resid 2    and name H   ))
 OR {  758}
   (( segid "    " and resid 4    and name HG3 ))
   (( segid "    " and resid 6    and name H   ))
 OR {  758}
   (( segid "    " and resid 5    and name HG3 ))
   (( segid "    " and resid 2    and name H   ))
 OR {  758}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 74   and name H   ))
 OR {  758}
   (( segid "    " and resid 5    and name HG2 ))
   (( segid "    " and resid 2    and name H   ))
 OR {  758}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 74   and name H   ))
 OR {  758}
   (( segid "    " and resid 5    and name HG2 ))
   (( segid "    " and resid 43   and name H   ))
 OR {  758}
   (( segid "    " and resid 5    and name HG3 ))
   (( segid "    " and resid 43   and name H   ))
 OR {  758}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 82   and name H   ))
 OR {  758}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 82   and name H   ))
 OR {  758}
   (( segid "    " and resid 4    and name HG3 ))
   (( segid "    " and resid 43   and name H   ))
 OR {  758}
   (( segid "    " and resid 5    and name HG2 ))
   (( segid "    " and resid 49   and name H   ))
 OR {  758}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 69   and name H   ))
 OR {  758}
   (( segid "    " and resid 5    and name HG2 ))
   (( segid "    " and resid 55   and name H   ))
 OR {  758}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 69   and name H   ))
 OR {  758}
   (( segid "    " and resid 5    and name HG3 ))
   (( segid "    " and resid 49   and name H   ))
 OR {  758}
   (( segid "    " and resid 5    and name HG3 ))
   (( segid "    " and resid 55   and name H   ))
 OR {  758}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 87   and name H   ))
 OR {  758}
   (( segid "    " and resid 4    and name HG3 ))
   (( segid "    " and resid 49   and name H   ))
 OR {  758}
   (( segid "    " and resid 4    and name HG3 ))
   (( segid "    " and resid 55   and name H   ))
 OR {  758}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 87   and name H   ))
 OR {  758}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 55   and name H   ))
 OR {  758}
   (( segid "    " and resid 5    and name HG2 ))
   (( segid "    " and resid 69   and name H   ))
 OR {  758}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 55   and name H   ))
 OR {  758}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 49   and name H   ))
 OR {  758}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 49   and name H   ))
 OR {  758}
   (( segid "    " and resid 5    and name HG3 ))
   (( segid "    " and resid 69   and name H   ))
 OR {  758}
   (( segid "    " and resid 4    and name HG3 ))
   (( segid "    " and resid 69   and name H   ))
 OR {  758}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 43   and name H   ))
 OR {  758}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 43   and name H   ))
 OR {  758}
   (( segid "    " and resid 5    and name HG2 ))
   (( segid "    " and resid 74   and name H   ))
 OR {  758}
   (( segid "    " and resid 5    and name HG3 ))
   (( segid "    " and resid 74   and name H   ))
 OR {  758}
   (( segid "    " and resid 4    and name HG3 ))
   (( segid "    " and resid 74   and name H   ))
 OR {  758}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 6    and name H   ))
 OR {  758}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 6    and name H   ))
 OR {  758}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 2    and name H   ))
 OR {  758}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 2    and name H   ))
 OR {  758}
   (( segid "    " and resid 5    and name HG2 ))
   (( segid "    " and resid 82   and name H   ))
 OR {  758}
   (( segid "    " and resid 5    and name HG3 ))
   (( segid "    " and resid 82   and name H   ))
 OR {  758}
   (( segid "    " and resid 4    and name HG3 ))
   (( segid "    " and resid 82   and name H   ))
 OR {  758}
   (( segid "    " and resid 5    and name HG2 ))
   (( segid "    " and resid 87   and name H   ))
 OR {  758}
   (( segid "    " and resid 5    and name HG3 ))
   (( segid "    " and resid 87   and name H   ))
 OR {  758}
   (( segid "    " and resid 4    and name HG3 ))
   (( segid "    " and resid 87   and name H   ))
 ASSI {  759}
   (( segid "    " and resid 5    and name HG3 ))
   (( segid "    " and resid 5    and name HD3 ))
      1.900     0.500     0.500 peak   759 spectrum    1 weight  0.10000E+01 volume  0.18457E-01 ppm1      1.930 ppm2      3.543 CV     1
 OR {  759}
   (( segid "    " and resid 5    and name HG2 ))
   (( segid "    " and resid 5    and name HD3 ))
 OR {  759}
   (( segid "    " and resid 4    and name HG3 ))
   (( segid "    " and resid 4    and name HD2 ))
 OR {  759}
   (( segid "    " and resid 4    and name HG3 ))
   (( segid "    " and resid 5    and name HD3 ))
 OR {  759}
   (( segid "    " and resid 4    and name HG3 ))
   (( segid "    " and resid 17   and name HD2 ))
 OR {  759}
   (( segid "    " and resid 5    and name HG3 ))
   (( segid "    " and resid 4    and name HD2 ))
 OR {  759}
   (( segid "    " and resid 5    and name HG2 ))
   (( segid "    " and resid 4    and name HD2 ))
 OR {  759}
   (( segid "    " and resid 5    and name HG3 ))
   (( segid "    " and resid 17   and name HD2 ))
 OR {  759}
   (( segid "    " and resid 5    and name HG2 ))
   (( segid "    " and resid 17   and name HD2 ))
 OR {  759}
   (( segid "    " and resid 5    and name HG2 ))
   (( segid "    " and resid 77   and name HD2 ))
 OR {  759}
   (( segid "    " and resid 5    and name HG3 ))
   (( segid "    " and resid 77   and name HD2 ))
 OR {  759}
   (( segid "    " and resid 4    and name HG3 ))
   (( segid "    " and resid 77   and name HD2 ))
 ASSI {  760}
   (( segid "    " and resid 4    and name HD2 ))
   (( segid "    " and resid 1    and name HA  ))
      4.300     2.300     1.700 peak   760 spectrum    1 weight  0.10000E+01 volume  0.10883E-02 ppm1      3.548 ppm2      4.143 CV     1
 OR {  760}
   (( segid "    " and resid 4    and name HD2 ))
   (( segid "    " and resid 19   and name HB2 ))
 OR {  760}
   (( segid "    " and resid 4    and name HD2 ))
   (( segid "    " and resid 20   and name HA  ))
 OR {  760}
   (( segid "    " and resid 4    and name HD2 ))
   (( segid "    " and resid 7    and name HB  ))
 OR {  760}
   (( segid "    " and resid 4    and name HD2 ))
   (( segid "    " and resid 24   and name HA  ))
 OR {  760}
   (( segid "    " and resid 4    and name HD2 ))
   (( segid "    " and resid 62   and name HA  ))
 OR {  760}
   (( segid "    " and resid 4    and name HD2 ))
   (( segid "    " and resid 63   and name HA  ))
 OR {  760}
   (( segid "    " and resid 4    and name HD2 ))
   (( segid "    " and resid 65   and name HA  ))
 OR {  760}
   (( segid "    " and resid 4    and name HD2 ))
   (( segid "    " and resid 70   and name HA  ))
 OR {  760}
   (( segid "    " and resid 4    and name HD2 ))
   (( segid "    " and resid 71   and name HA  ))
 OR {  760}
   (( segid "    " and resid 4    and name HD2 ))
   (( segid "    " and resid 72   and name HA  ))
 OR {  760}
   (( segid "    " and resid 4    and name HD2 ))
   (( segid "    " and resid 75   and name HB  ))
 OR {  760}
   (( segid "    " and resid 4    and name HD2 ))
   (( segid "    " and resid 78   and name HA  ))
 ASSI {  762}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 4    and name HG3 ))
      1.900     0.400     0.400 peak   762 spectrum    1 weight  0.10000E+01 volume  0.16780E-01 ppm1      2.268 ppm2      1.962 CV     1
 OR {  762}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {  762}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 5    and name HG2 ))
 OR {  762}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 5    and name HG3 ))
 OR {  762}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 13   and name HB3 ))
 OR {  762}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 30   and name HB2 ))
 OR {  762}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 33   and name HB2 ))
 OR {  762}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 12   and name HB3 ))
 OR {  762}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 12   and name HB2 ))
 OR {  762}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 32   and name HB2 ))
 OR {  762}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 25   and name HB2 ))
 OR {  762}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 44   and name HB  ))
 OR {  762}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 49   and name HB3 ))
 OR {  762}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 47   and name HB3 ))
 OR {  762}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 57   and name HB3 ))
 OR {  762}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 59   and name HG2 ))
 OR {  762}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 59   and name HB2 ))
 OR {  762}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 63   and name HB2 ))
 OR {  762}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {  762}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 66   and name HB2 ))
 OR {  762}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 66   and name HB3 ))
 OR {  762}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 69   and name HB3 ))
 OR {  762}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 69   and name HB2 ))
 OR {  762}
   (( segid "    " and resid 4    and name HB3 ))
   (  segid "    " and resid 83   and name HE% )
 OR {  762}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 83   and name HB3 ))
 OR {  762}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 83   and name HB2 ))
 OR {  762}
   (( segid "    " and resid 4    and name HB3 ))
   (  segid "    " and resid 87   and name HE% )
 OR {  762}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 87   and name HB3 ))
 ASSI {  763}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HG2 ))
      1.800     0.400     0.400 peak   763 spectrum    1 weight  0.10000E+01 volume  0.23937E-01 ppm1      1.825 ppm2      1.967 CV     1
 OR {  763}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HG3 ))
 OR {  763}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 5    and name HG3 ))
 OR {  763}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 5    and name HG2 ))
 OR {  763}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 13   and name HB3 ))
 OR {  763}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 30   and name HB2 ))
 OR {  763}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 12   and name HB3 ))
 OR {  763}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 33   and name HB2 ))
 OR {  763}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 12   and name HB2 ))
 OR {  763}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 25   and name HB2 ))
 OR {  763}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 44   and name HB  ))
 OR {  763}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 49   and name HB3 ))
 OR {  763}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 57   and name HB3 ))
 OR {  763}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 59   and name HG2 ))
 OR {  763}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 59   and name HB2 ))
 OR {  763}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 63   and name HB2 ))
 OR {  763}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {  763}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 66   and name HB2 ))
 OR {  763}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 66   and name HB3 ))
 OR {  763}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 69   and name HB3 ))
 OR {  763}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 69   and name HB2 ))
 OR {  763}
   (( segid "    " and resid 4    and name HB2 ))
   (  segid "    " and resid 83   and name HE% )
 OR {  763}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 83   and name HB3 ))
 OR {  763}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 83   and name HB2 ))
 OR {  763}
   (( segid "    " and resid 4    and name HB2 ))
   (  segid "    " and resid 87   and name HE% )
 OR {  763}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 87   and name HB3 ))
 ASSI {  764}
   (( segid "    " and resid 4    and name HB2 ))
   (  segid "    " and resid 3    and name HD1%)
      4.400     2.400     1.600 peak   764 spectrum    1 weight  0.10000E+01 volume  0.97723E-03 ppm1      1.823 ppm2      0.854 CV     1
 OR {  764}
   (( segid "    " and resid 4    and name HB2 ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  764}
   (( segid "    " and resid 4    and name HB2 ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  764}
   (( segid "    " and resid 4    and name HB2 ))
   (  segid "    " and resid 13   and name HD1%)
 OR {  764}
   (( segid "    " and resid 4    and name HB2 ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  764}
   (( segid "    " and resid 4    and name HB2 ))
   (  segid "    " and resid 27   and name HG2%)
 OR {  764}
   (( segid "    " and resid 4    and name HB2 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  764}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {  764}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 52   and name HG13))
 OR {  764}
   (( segid "    " and resid 4    and name HB2 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  764}
   (( segid "    " and resid 4    and name HB2 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  764}
   (( segid "    " and resid 4    and name HB2 ))
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  765}
   (( segid "    " and resid 4    and name HG2 ))
   (  segid "    " and resid 2    and name HD1%)
      3.700     1.700     1.700 peak   765 spectrum    1 weight  0.10000E+01 volume  0.18379E-02 ppm1      1.997 ppm2      0.844 CV     1
 OR {  765}
   (( segid "    " and resid 4    and name HG2 ))
   (  segid "    " and resid 3    and name HD1%)
 OR {  765}
   (( segid "    " and resid 4    and name HG2 ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  765}
   (( segid "    " and resid 4    and name HG2 ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  765}
   (( segid "    " and resid 4    and name HG2 ))
   (  segid "    " and resid 13   and name HD1%)
 OR {  765}
   (( segid "    " and resid 4    and name HG2 ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  765}
   (( segid "    " and resid 4    and name HG2 ))
   (  segid "    " and resid 27   and name HG2%)
 OR {  765}
   (( segid "    " and resid 4    and name HG2 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  765}
   (( segid "    " and resid 4    and name HG2 ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {  765}
   (( segid "    " and resid 4    and name HG2 ))
   (( segid "    " and resid 52   and name HG13))
 OR {  765}
   (( segid "    " and resid 4    and name HG2 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  765}
   (( segid "    " and resid 4    and name HG2 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  765}
   (( segid "    " and resid 4    and name HG2 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  765}
   (( segid "    " and resid 4    and name HG2 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  765}
   (( segid "    " and resid 4    and name HG2 ))
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  766}
   (( segid "    " and resid 4    and name HG3 ))
   (  segid "    " and resid 3    and name HD1%)
      3.700     1.700     1.700 peak   766 spectrum    1 weight  0.10000E+01 volume  0.26540E-02 ppm1      1.943 ppm2      0.842 CV     1
 OR {  766}
   (( segid "    " and resid 4    and name HG3 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  766}
   (( segid "    " and resid 4    and name HG3 ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  766}
   (( segid "    " and resid 4    and name HG3 ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  766}
   (( segid "    " and resid 4    and name HG3 ))
   (  segid "    " and resid 13   and name HD1%)
 OR {  766}
   (( segid "    " and resid 4    and name HG3 ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  766}
   (( segid "    " and resid 4    and name HG3 ))
   (  segid "    " and resid 27   and name HG2%)
 OR {  766}
   (( segid "    " and resid 4    and name HG3 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  766}
   (( segid "    " and resid 4    and name HG3 ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {  766}
   (( segid "    " and resid 4    and name HG3 ))
   (( segid "    " and resid 52   and name HG13))
 OR {  766}
   (( segid "    " and resid 4    and name HG3 ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  766}
   (( segid "    " and resid 4    and name HG3 ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  766}
   (( segid "    " and resid 4    and name HG3 ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  766}
   (( segid "    " and resid 4    and name HG3 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  766}
   (( segid "    " and resid 4    and name HG3 ))
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  767}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 76   and name HD2%)
      2.000     0.500     0.500 peak   767 spectrum    1 weight  0.10000E+01 volume  0.21999E-01 ppm1      4.538 ppm2      0.821 CV     1
 OR {  767}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  767}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  767}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 3    and name HD1%)
 OR {  767}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  767}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  767}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  767}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 27   and name HG2%)
 OR {  767}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  767}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 13   and name HD1%)
 OR {  767}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {  767}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  767}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  767}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  767}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 52   and name HG13))
 OR {  767}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 84   and name HD1%)
 OR {  767}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  767}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  767}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  767}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  767}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 52   and name HG13))
 OR {  767}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  767}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 13   and name HD1%)
 OR {  767}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 27   and name HG2%)
 OR {  767}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  767}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  767}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  767}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 3    and name HD1%)
 OR {  767}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  767}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  767}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  767}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {  767}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  767}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  768}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HB2 ))
      2.200     0.600     0.600 peak   768 spectrum    1 weight  0.10000E+01 volume  0.10089E-01 ppm1      4.536 ppm2      1.556 CV     1
 OR {  768}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HG  ))
 OR {  768}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 78   and name HD2 ))
 OR {  768}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 78   and name HD3 ))
 OR {  768}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 72   and name HB3 ))
 OR {  768}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {  768}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {  768}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 70   and name HG2 ))
 OR {  768}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 70   and name HG3 ))
 OR {  768}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 84   and name HB2 ))
 OR {  768}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 84   and name HB3 ))
 OR {  768}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 84   and name HG  ))
 OR {  768}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {  768}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 85   and name HG3 ))
 OR {  768}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 86   and name HD3 ))
 OR {  768}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 86   and name HD2 ))
 OR {  768}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 61   and name HB3 ))
 OR {  768}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 47   and name HG  ))
 OR {  768}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 45   and name HG  ))
 OR {  768}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 45   and name HB3 ))
 OR {  768}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 52   and name HB  ))
 OR {  768}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 13   and name HG  ))
 OR {  768}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
 OR {  768}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {  768}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {  768}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 3    and name HG  ))
 OR {  768}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 18   and name HB2 ))
 OR {  768}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {  768}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {  768}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {  768}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 22   and name HB3 ))
 OR {  768}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 21   and name HD2 ))
 OR {  768}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 21   and name HD3 ))
 ASSI {  769}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HB2 ))
      2.000     0.500     0.500 peak   769 spectrum    1 weight  0.10000E+01 volume  0.17961E-01 ppm1      4.538 ppm2      1.475 CV     1
 OR {  769}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HB3 ))
 OR {  769}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HB3 ))
 OR {  769}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HB2 ))
 OR {  769}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 2    and name HB3 ))
 OR {  769}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 2    and name HB2 ))
 OR {  769}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 2    and name HG  ))
 OR {  769}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 18   and name HB2 ))
 OR {  769}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 15   and name HB2 ))
 OR {  769}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {  769}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 15   and name HG2 ))
 OR {  769}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 79   and name HG  ))
 OR {  769}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 79   and name HB2 ))
 OR {  769}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 27   and name HG12))
 OR {  769}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 72   and name HG  ))
 OR {  769}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 72   and name HB3 ))
 OR {  769}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 23   and name HB2 ))
 OR {  769}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 21   and name HG2 ))
 OR {  769}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 22   and name HG  ))
 OR {  769}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 70   and name HG3 ))
 OR {  769}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 84   and name HB2 ))
 OR {  769}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 52   and name HB  ))
 OR {  769}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 84   and name HG  ))
 OR {  769}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {  769}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 85   and name HG3 ))
 OR {  769}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 48   and name HB% )
 OR {  769}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 47   and name HG  ))
 OR {  769}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 50   and name HG2 ))
 OR {  769}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 61   and name HB3 ))
 OR {  769}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 61   and name HB3 ))
 OR {  769}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 48   and name HB% )
 OR {  769}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 47   and name HG  ))
 OR {  769}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 50   and name HG2 ))
 OR {  769}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 52   and name HB  ))
 OR {  769}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 70   and name HG3 ))
 OR {  769}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 72   and name HB3 ))
 OR {  769}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 72   and name HG  ))
 OR {  769}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 15   and name HG2 ))
 OR {  769}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 15   and name HB2 ))
 OR {  769}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 76   and name HB2 ))
 OR {  769}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 3    and name HB3 ))
 OR {  769}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {  769}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 76   and name HB3 ))
 OR {  769}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 3    and name HB2 ))
 OR {  769}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 2    and name HB3 ))
 OR {  769}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 27   and name HG12))
 OR {  769}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 2    and name HB2 ))
 OR {  769}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 2    and name HG  ))
 OR {  769}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 18   and name HB2 ))
 OR {  769}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 79   and name HG  ))
 OR {  769}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 79   and name HB2 ))
 OR {  769}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 23   and name HB2 ))
 OR {  769}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 22   and name HG  ))
 OR {  769}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 21   and name HG2 ))
 OR {  769}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 84   and name HB2 ))
 OR {  769}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 84   and name HG  ))
 OR {  769}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {  769}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 85   and name HG3 ))
 ASSI {  770}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HD2 ))
      2.300     0.700     0.700 peak   770 spectrum    1 weight  0.10000E+01 volume  0.20543E-01 ppm1      4.538 ppm2      3.532 CV     1
 OR {  770}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 5    and name HD3 ))
 OR {  770}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 17   and name HD2 ))
 OR {  770}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 77   and name HD2 ))
 ASSI {  771}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HD3 ))
      2.700     0.900     0.900 peak   771 spectrum    1 weight  0.10000E+01 volume  0.17429E-01 ppm1      4.539 ppm2      3.837 CV     1
 OR {  771}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 6    and name HB3 ))
 OR {  771}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 6    and name HB2 ))
 OR {  771}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 19   and name HB3 ))
 OR {  771}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 21   and name HA  ))
 OR {  771}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 34   and name HA  ))
 OR {  771}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 82   and name HA2 ))
 OR {  771}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 82   and name HA3 ))
 ASSI {  772}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name H   ))
      2.200     0.600     0.600 peak   772 spectrum    1 weight  0.10000E+01 volume  0.88618E-02 ppm1      4.537 ppm2      8.261 CV     1
 OR {  772}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 78   and name H   ))
 OR {  772}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 74   and name H   ))
 OR {  772}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 73   and name H   ))
 OR {  772}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 80   and name H   ))
 OR {  772}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 81   and name H   ))
 OR {  772}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 86   and name H   ))
 OR {  772}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 58   and name H   ))
 OR {  772}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 9    and name H   ))
 OR {  772}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 8    and name H   ))
 OR {  772}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 3    and name H   ))
 ASSI {  774}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 4    and name HD3 ))
      4.500     2.500     1.500 peak   774 spectrum    1 weight  0.10000E+01 volume  0.10772E-02 ppm1      1.579 ppm2      3.827 CV     1
 OR {  774}
   (( segid "    " and resid 84   and name HG  ))
   (( segid "    " and resid 82   and name HA3 ))
 OR {  774}
   (( segid "    " and resid 84   and name HG  ))
   (( segid "    " and resid 82   and name HA2 ))
 OR {  774}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 19   and name HB3 ))
 OR {  774}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 82   and name HA2 ))
 OR {  774}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 82   and name HA3 ))
 OR {  774}
   (( segid "    " and resid 85   and name HG3 ))
   (( segid "    " and resid 82   and name HA2 ))
 OR {  774}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 6    and name HB3 ))
 OR {  774}
   (( segid "    " and resid 85   and name HG3 ))
   (( segid "    " and resid 82   and name HA3 ))
 OR {  774}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 6    and name HB2 ))
 OR {  774}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 21   and name HA  ))
 OR {  774}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 36   and name HA2 ))
 OR {  774}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 34   and name HA  ))
 OR {  774}
   (( segid "    " and resid 76   and name HG  ))
   (( segid "    " and resid 82   and name HA2 ))
 OR {  774}
   (( segid "    " and resid 76   and name HG  ))
   (( segid "    " and resid 82   and name HA3 ))
 OR {  774}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 82   and name HA2 ))
 OR {  774}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 82   and name HA3 ))
 OR {  774}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 36   and name HA2 ))
 OR {  774}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 6    and name HB2 ))
 OR {  774}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 34   and name HA  ))
 OR {  774}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 6    and name HB3 ))
 OR {  774}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 4    and name HD3 ))
 OR {  774}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 19   and name HB3 ))
 OR {  774}
   (( segid "    " and resid 76   and name HG  ))
   (( segid "    " and resid 6    and name HB2 ))
 OR {  774}
   (( segid "    " and resid 76   and name HG  ))
   (( segid "    " and resid 36   and name HA2 ))
 OR {  774}
   (( segid "    " and resid 76   and name HG  ))
   (( segid "    " and resid 34   and name HA  ))
 OR {  774}
   (( segid "    " and resid 76   and name HG  ))
   (( segid "    " and resid 6    and name HB3 ))
 OR {  774}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 21   and name HA  ))
 OR {  774}
   (( segid "    " and resid 76   and name HG  ))
   (( segid "    " and resid 4    and name HD3 ))
 OR {  774}
   (( segid "    " and resid 76   and name HG  ))
   (( segid "    " and resid 19   and name HB3 ))
 OR {  774}
   (( segid "    " and resid 76   and name HG  ))
   (( segid "    " and resid 21   and name HA  ))
 OR {  774}
   (( segid "    " and resid 84   and name HG  ))
   (( segid "    " and resid 36   and name HA2 ))
 OR {  774}
   (( segid "    " and resid 84   and name HG  ))
   (( segid "    " and resid 34   and name HA  ))
 OR {  774}
   (( segid "    " and resid 84   and name HG  ))
   (( segid "    " and resid 6    and name HB2 ))
 OR {  774}
   (( segid "    " and resid 84   and name HG  ))
   (( segid "    " and resid 6    and name HB3 ))
 OR {  774}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 6    and name HB2 ))
 OR {  774}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 36   and name HA2 ))
 OR {  774}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 34   and name HA  ))
 OR {  774}
   (( segid "    " and resid 85   and name HG3 ))
   (( segid "    " and resid 6    and name HB2 ))
 OR {  774}
   (( segid "    " and resid 85   and name HG3 ))
   (( segid "    " and resid 36   and name HA2 ))
 OR {  774}
   (( segid "    " and resid 85   and name HG3 ))
   (( segid "    " and resid 34   and name HA  ))
 OR {  774}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 82   and name HA2 ))
 OR {  774}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 82   and name HA3 ))
 OR {  774}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 6    and name HB3 ))
 OR {  774}
   (( segid "    " and resid 85   and name HG3 ))
   (( segid "    " and resid 6    and name HB3 ))
 OR {  774}
   (( segid "    " and resid 84   and name HG  ))
   (( segid "    " and resid 4    and name HD3 ))
 OR {  774}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 4    and name HD3 ))
 OR {  774}
   (( segid "    " and resid 85   and name HG3 ))
   (( segid "    " and resid 4    and name HD3 ))
 OR {  774}
   (( segid "    " and resid 84   and name HG  ))
   (( segid "    " and resid 19   and name HB3 ))
 OR {  774}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 19   and name HB3 ))
 OR {  774}
   (( segid "    " and resid 85   and name HG3 ))
   (( segid "    " and resid 19   and name HB3 ))
 OR {  774}
   (( segid "    " and resid 84   and name HG  ))
   (( segid "    " and resid 21   and name HA  ))
 OR {  774}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 21   and name HA  ))
 OR {  774}
   (( segid "    " and resid 85   and name HG3 ))
   (( segid "    " and resid 21   and name HA  ))
 ASSI {  775}
   (( segid "    " and resid 76   and name HG  ))
   (( segid "    " and resid 77   and name HD3 ))
      4.400     2.400     1.600 peak   775 spectrum    1 weight  0.10000E+01 volume  0.12160E-02 ppm1      1.592 ppm2      3.736 CV     1
 OR {  775}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 5    and name HD2 ))
 OR {  775}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 17   and name HD3 ))
 OR {  775}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 21   and name HA  ))
 OR {  775}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 36   and name HA2 ))
 OR {  775}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 77   and name HD3 ))
 OR {  775}
   (( segid "    " and resid 76   and name HG  ))
   (( segid "    " and resid 88   and name HA2 ))
 OR {  775}
   (( segid "    " and resid 76   and name HG  ))
   (( segid "    " and resid 88   and name HA3 ))
 OR {  775}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 88   and name HA2 ))
 OR {  775}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 88   and name HA3 ))
 OR {  775}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 36   and name HA2 ))
 OR {  775}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 5    and name HD2 ))
 OR {  775}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 17   and name HD3 ))
 OR {  775}
   (( segid "    " and resid 76   and name HG  ))
   (( segid "    " and resid 36   and name HA2 ))
 OR {  775}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 21   and name HA  ))
 OR {  775}
   (( segid "    " and resid 76   and name HG  ))
   (( segid "    " and resid 5    and name HD2 ))
 OR {  775}
   (( segid "    " and resid 76   and name HG  ))
   (( segid "    " and resid 17   and name HD3 ))
 OR {  775}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 77   and name HD3 ))
 OR {  775}
   (( segid "    " and resid 76   and name HG  ))
   (( segid "    " and resid 21   and name HA  ))
 OR {  775}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 88   and name HA3 ))
 OR {  775}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 88   and name HA2 ))
 ASSI {  776}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 4    and name HD2 ))
      4.000     2.000     2.000 peak   776 spectrum    1 weight  0.10000E+01 volume  0.23044E-02 ppm1      1.588 ppm2      3.519 CV     1
 OR {  776}
   (( segid "    " and resid 76   and name HG  ))
   (( segid "    " and resid 77   and name HD2 ))
 OR {  776}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 5    and name HD3 ))
 OR {  776}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 17   and name HD2 ))
 OR {  776}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 77   and name HD2 ))
 OR {  776}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 5    and name HD3 ))
 OR {  776}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 4    and name HD2 ))
 OR {  776}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 17   and name HD2 ))
 OR {  776}
   (( segid "    " and resid 76   and name HG  ))
   (( segid "    " and resid 5    and name HD3 ))
 OR {  776}
   (( segid "    " and resid 76   and name HG  ))
   (( segid "    " and resid 4    and name HD2 ))
 OR {  776}
   (( segid "    " and resid 76   and name HG  ))
   (( segid "    " and resid 17   and name HD2 ))
 OR {  776}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 77   and name HD2 ))
 ASSI {  777}
   (( segid "    " and resid 22   and name HG  ))
   (  segid "    " and resid 23   and name HD1%)
      4.200     2.200     1.800 peak   777 spectrum    1 weight  0.10000E+01 volume  0.18878E-02 ppm1      1.406 ppm2      0.488 CV     1
 OR {  777}
   (( segid "    " and resid 22   and name HG  ))
   (  segid "    " and resid 29   and name HG2%)
 OR {  777}
   (( segid "    " and resid 22   and name HG  ))
   (  segid "    " and resid 52   and name HD1%)
 OR {  777}
   (( segid "    " and resid 22   and name HG  ))
   (  segid "    " and resid 61   and name HD1%)
 ASSI {  778}
   (  segid "    " and resid 3    and name HD2%)
   (( segid "    " and resid 28   and name HG2 ))
      3.700     1.700     1.700 peak   778 spectrum    1 weight  0.10000E+01 volume  0.17880E-02 ppm1      0.837 ppm2      2.251 CV     1
 OR {  778}
   (  segid "    " and resid 3    and name HD2%)
   (( segid "    " and resid 17   and name HB2 ))
 OR {  778}
   (  segid "    " and resid 3    and name HD2%)
   (( segid "    " and resid 4    and name HB3 ))
 OR {  778}
   (  segid "    " and resid 3    and name HD2%)
   (( segid "    " and resid 5    and name HB2 ))
 OR {  778}
   (  segid "    " and resid 3    and name HD2%)
   (( segid "    " and resid 30   and name HG2 ))
 OR {  778}
   (  segid "    " and resid 3    and name HD2%)
   (( segid "    " and resid 12   and name HG3 ))
 OR {  778}
   (  segid "    " and resid 3    and name HD2%)
   (( segid "    " and resid 12   and name HG2 ))
 OR {  778}
   (  segid "    " and resid 3    and name HD2%)
   (( segid "    " and resid 32   and name HG2 ))
 OR {  778}
   (  segid "    " and resid 3    and name HD2%)
   (( segid "    " and resid 33   and name HG2 ))
 OR {  778}
   (  segid "    " and resid 3    and name HD2%)
   (( segid "    " and resid 41   and name HG2 ))
 OR {  778}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 69   and name HG3 ))
 OR {  778}
   (  segid "    " and resid 3    and name HD2%)
   (( segid "    " and resid 54   and name HB  ))
 OR {  778}
   (  segid "    " and resid 3    and name HD2%)
   (( segid "    " and resid 49   and name HB2 ))
 OR {  778}
   (  segid "    " and resid 3    and name HD2%)
   (( segid "    " and resid 49   and name HG3 ))
 OR {  778}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 66   and name HG3 ))
 OR {  778}
   (  segid "    " and resid 3    and name HD2%)
   (( segid "    " and resid 49   and name HG2 ))
 OR {  778}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 63   and name HG2 ))
 OR {  778}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 63   and name HG3 ))
 OR {  778}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 69   and name HG3 ))
 OR {  778}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 66   and name HG3 ))
 OR {  778}
   (  segid "    " and resid 3    and name HD2%)
   (( segid "    " and resid 63   and name HG3 ))
 OR {  778}
   (  segid "    " and resid 3    and name HD2%)
   (( segid "    " and resid 63   and name HG2 ))
 OR {  778}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 63   and name HG2 ))
 OR {  778}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 63   and name HG3 ))
 OR {  778}
   (  segid "    " and resid 3    and name HD2%)
   (( segid "    " and resid 66   and name HG3 ))
 OR {  778}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 49   and name HG2 ))
 OR {  778}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 49   and name HG3 ))
 OR {  778}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 49   and name HB2 ))
 OR {  778}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 54   and name HB  ))
 OR {  778}
   (  segid "    " and resid 3    and name HD2%)
   (( segid "    " and resid 69   and name HG3 ))
 OR {  778}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 41   and name HG2 ))
 OR {  778}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 12   and name HG2 ))
 OR {  778}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 12   and name HG3 ))
 OR {  778}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 33   and name HG2 ))
 OR {  778}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 32   and name HG2 ))
 OR {  778}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 49   and name HG2 ))
 OR {  778}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 49   and name HG3 ))
 OR {  778}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 49   and name HB2 ))
 OR {  778}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 5    and name HB2 ))
 OR {  778}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 54   and name HB  ))
 OR {  778}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 30   and name HG2 ))
 OR {  778}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 4    and name HB3 ))
 OR {  778}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 28   and name HG2 ))
 OR {  778}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 17   and name HB2 ))
 OR {  778}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 41   and name HG2 ))
 OR {  778}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 12   and name HG2 ))
 OR {  778}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 12   and name HG3 ))
 OR {  778}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 33   and name HG2 ))
 OR {  778}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 32   and name HG2 ))
 OR {  778}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 5    and name HB2 ))
 OR {  778}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 30   and name HG2 ))
 OR {  778}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 4    and name HB3 ))
 OR {  778}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 28   and name HG2 ))
 OR {  778}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 17   and name HB2 ))
 ASSI {  779}
   (  segid "    " and resid 3    and name HD2%)
   (( segid "    " and resid 26   and name H   ))
      3.900     1.900     1.900 peak   779 spectrum    1 weight  0.10000E+01 volume  0.15380E-02 ppm1      0.840 ppm2      7.267 CV     1
 OR {  779}
   (  segid "    " and resid 3    and name HD2%)
   (  segid "    " and resid 1    and name HE% )
 OR {  779}
   (  segid "    " and resid 3    and name HD2%)
   (( segid "    " and resid 1    and name HZ  ))
 OR {  779}
   (  segid "    " and resid 3    and name HD2%)
   (( segid "    " and resid 22   and name H   ))
 OR {  779}
   (  segid "    " and resid 3    and name HD2%)
   (( segid "    " and resid 50   and name H   ))
 OR {  779}
   (  segid "    " and resid 3    and name HD2%)
   (( segid "    " and resid 64   and name HZ2 ))
 OR {  779}
   (  segid "    " and resid 3    and name HD2%)
   (( segid "    " and resid 70   and name HE  ))
 ASSI {  780}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 73   and name H   ))
      2.100     0.500     0.500 peak   780 spectrum    1 weight  0.10000E+01 volume  0.45253E-02 ppm1      0.832 ppm2      8.260 CV     1
 OR {  780}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 86   and name H   ))
 OR {  780}
   (  segid "    " and resid 3    and name HD2%)
   (( segid "    " and resid 3    and name H   ))
 OR {  780}
   (  segid "    " and resid 2    and name HD2%)
   (( segid "    " and resid 3    and name H   ))
 OR {  780}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 74   and name H   ))
 OR {  780}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 76   and name H   ))
 OR {  780}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 81   and name H   ))
 OR {  780}
   (  segid "    " and resid 3    and name HD2%)
   (( segid "    " and resid 8    and name H   ))
 OR {  780}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 80   and name H   ))
 OR {  780}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 78   and name H   ))
 OR {  780}
   (  segid "    " and resid 3    and name HD2%)
   (( segid "    " and resid 9    and name H   ))
 OR {  780}
   (  segid "    " and resid 2    and name HD2%)
   (( segid "    " and resid 8    and name H   ))
 OR {  780}
   (  segid "    " and resid 2    and name HD2%)
   (( segid "    " and resid 9    and name H   ))
 OR {  780}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 78   and name H   ))
 OR {  780}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 80   and name H   ))
 OR {  780}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 81   and name H   ))
 OR {  780}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 76   and name H   ))
 OR {  780}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 74   and name H   ))
 OR {  780}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 73   and name H   ))
 OR {  780}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 86   and name H   ))
 OR {  780}
   (  segid "    " and resid 3    and name HD2%)
   (( segid "    " and resid 58   and name H   ))
 OR {  780}
   (  segid "    " and resid 2    and name HD2%)
   (( segid "    " and resid 58   and name H   ))
 OR {  780}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 58   and name H   ))
 OR {  780}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 9    and name H   ))
 OR {  780}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 8    and name H   ))
 OR {  780}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 58   and name H   ))
 OR {  780}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 3    and name H   ))
 OR {  780}
   (  segid "    " and resid 3    and name HD2%)
   (( segid "    " and resid 73   and name H   ))
 OR {  780}
   (  segid "    " and resid 3    and name HD2%)
   (( segid "    " and resid 74   and name H   ))
 OR {  780}
   (  segid "    " and resid 2    and name HD2%)
   (( segid "    " and resid 73   and name H   ))
 OR {  780}
   (  segid "    " and resid 2    and name HD2%)
   (( segid "    " and resid 74   and name H   ))
 OR {  780}
   (  segid "    " and resid 3    and name HD2%)
   (( segid "    " and resid 76   and name H   ))
 OR {  780}
   (  segid "    " and resid 2    and name HD2%)
   (( segid "    " and resid 76   and name H   ))
 OR {  780}
   (  segid "    " and resid 3    and name HD2%)
   (( segid "    " and resid 78   and name H   ))
 OR {  780}
   (  segid "    " and resid 2    and name HD2%)
   (( segid "    " and resid 78   and name H   ))
 OR {  780}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 9    and name H   ))
 OR {  780}
   (  segid "    " and resid 3    and name HD2%)
   (( segid "    " and resid 80   and name H   ))
 OR {  780}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 8    and name H   ))
 OR {  780}
   (  segid "    " and resid 3    and name HD2%)
   (( segid "    " and resid 81   and name H   ))
 OR {  780}
   (  segid "    " and resid 2    and name HD2%)
   (( segid "    " and resid 80   and name H   ))
 OR {  780}
   (  segid "    " and resid 2    and name HD2%)
   (( segid "    " and resid 81   and name H   ))
 OR {  780}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 3    and name H   ))
 OR {  780}
   (  segid "    " and resid 3    and name HD2%)
   (( segid "    " and resid 86   and name H   ))
 OR {  780}
   (  segid "    " and resid 2    and name HD2%)
   (( segid "    " and resid 86   and name H   ))
 ASSI {  781}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 3    and name H   ))
      1.600     0.300     0.600 peak   781 spectrum    1 weight  0.10000E+01 volume  0.22070E-01 ppm1      4.355 ppm2      8.265 CV     1
 OR {  781}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 8    and name H   ))
 OR {  781}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 9    and name H   ))
 OR {  781}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 58   and name H   ))
 OR {  781}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 69   and name H   ))
 OR {  781}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 73   and name H   ))
 OR {  781}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 74   and name H   ))
 OR {  781}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 76   and name H   ))
 OR {  781}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 78   and name H   ))
 OR {  781}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 80   and name H   ))
 OR {  781}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 81   and name H   ))
 OR {  781}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 86   and name H   ))
 ASSI {  782}
   (( segid "    " and resid 2    and name HG  ))
   (( segid "    " and resid 3    and name HA  ))
      4.100     2.100     1.900 peak   782 spectrum    1 weight  0.10000E+01 volume  0.12382E-02 ppm1      1.464 ppm2      4.520 CV     1
 OR {  782}
   (( segid "    " and resid 2    and name HG  ))
   (( segid "    " and resid 17   and name HA  ))
 OR {  782}
   (( segid "    " and resid 2    and name HG  ))
   (( segid "    " and resid 4    and name HA  ))
 OR {  782}
   (( segid "    " and resid 2    and name HG  ))
   (( segid "    " and resid 14   and name HA  ))
 OR {  782}
   (( segid "    " and resid 2    and name HG  ))
   (( segid "    " and resid 31   and name HA  ))
 OR {  782}
   (( segid "    " and resid 2    and name HG  ))
   (( segid "    " and resid 12   and name HA  ))
 OR {  782}
   (( segid "    " and resid 2    and name HG  ))
   (( segid "    " and resid 32   and name HA  ))
 OR {  782}
   (( segid "    " and resid 2    and name HG  ))
   (( segid "    " and resid 9    and name HA  ))
 OR {  782}
   (( segid "    " and resid 2    and name HG  ))
   (( segid "    " and resid 10   and name HA  ))
 OR {  782}
   (( segid "    " and resid 2    and name HG  ))
   (( segid "    " and resid 44   and name HA  ))
 OR {  782}
   (( segid "    " and resid 2    and name HG  ))
   (( segid "    " and resid 52   and name HA  ))
 OR {  782}
   (( segid "    " and resid 2    and name HG  ))
   (( segid "    " and resid 45   and name HA  ))
 OR {  782}
   (( segid "    " and resid 2    and name HG  ))
   (( segid "    " and resid 49   and name HA  ))
 OR {  782}
   (( segid "    " and resid 2    and name HG  ))
   (( segid "    " and resid 57   and name HA  ))
 OR {  782}
   (( segid "    " and resid 2    and name HG  ))
   (( segid "    " and resid 67   and name HA  ))
 OR {  782}
   (( segid "    " and resid 2    and name HG  ))
   (( segid "    " and resid 76   and name HA  ))
 OR {  782}
   (( segid "    " and resid 2    and name HG  ))
   (( segid "    " and resid 87   and name HA  ))
 ASSI {  784}
   (  segid "    " and resid 2    and name HD1%)
   (  segid "    " and resid 1    and name HD% )
      3.700     1.700     1.700 peak   784 spectrum    1 weight  0.10000E+01 volume  0.33037E-02 ppm1      0.777 ppm2      7.175 CV     1
 OR {  784}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 85   and name HE  ))
 OR {  784}
   (  segid "    " and resid 84   and name HD2%)
   (  segid "    " and resid 81   and name HE% )
 OR {  784}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 73   and name HD2 ))
 OR {  784}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 26   and name H   ))
 OR {  784}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 22   and name H   ))
 OR {  784}
   (  segid "    " and resid 76   and name HD2%)
   (  segid "    " and resid 81   and name HE% )
 OR {  784}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 70   and name HE  ))
 OR {  784}
   (  segid "    " and resid 2    and name HD1%)
   (  segid "    " and resid 43   and name HE% )
 OR {  784}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 85   and name HE  ))
 OR {  784}
   (  segid "    " and resid 76   and name HD2%)
   (  segid "    " and resid 65   and name HD% )
 OR {  784}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 73   and name HD2 ))
 OR {  784}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 64   and name HZ2 ))
 OR {  784}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 70   and name HE  ))
 OR {  784}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 58   and name HD22))
 OR {  784}
   (  segid "    " and resid 84   and name HD2%)
   (  segid "    " and resid 65   and name HD% )
 OR {  784}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 58   and name HD22))
 OR {  784}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 64   and name HZ2 ))
 OR {  784}
   (  segid "    " and resid 2    and name HD1%)
   (  segid "    " and resid 65   and name HD% )
 OR {  784}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 64   and name HZ2 ))
 OR {  784}
   (  segid "    " and resid 76   and name HD2%)
   (  segid "    " and resid 43   and name HE% )
 OR {  784}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 58   and name HD22))
 OR {  784}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 70   and name HE  ))
 OR {  784}
   (  segid "    " and resid 84   and name HD2%)
   (  segid "    " and resid 43   and name HE% )
 OR {  784}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 73   and name HD2 ))
 OR {  784}
   (  segid "    " and resid 76   and name HD2%)
   (  segid "    " and resid 1    and name HD% )
 OR {  784}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 26   and name H   ))
 OR {  784}
   (  segid "    " and resid 2    and name HD1%)
   (  segid "    " and resid 81   and name HE% )
 OR {  784}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 22   and name H   ))
 OR {  784}
   (  segid "    " and resid 84   and name HD2%)
   (  segid "    " and resid 1    and name HD% )
 OR {  784}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 26   and name H   ))
 OR {  784}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 85   and name HE  ))
 OR {  784}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 22   and name H   ))
 ASSI {  785}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 80   and name HD22))
      2.200     0.600     0.600 peak   785 spectrum    1 weight  0.10000E+01 volume  0.14659E-02 ppm1      0.780 ppm2      6.844 CV     1
 OR {  785}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 80   and name HD22))
 OR {  785}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 12   and name HE21))
 OR {  785}
   (  segid "    " and resid 2    and name HD1%)
   (  segid "    " and resid 43   and name HD% )
 OR {  785}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 68   and name HE22))
 OR {  785}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 65   and name HZ  ))
 OR {  785}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 49   and name HE22))
 OR {  785}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 64   and name HH2 ))
 OR {  785}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 63   and name HE22))
 OR {  785}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 64   and name HD1 ))
 OR {  785}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 57   and name HE22))
 OR {  785}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 68   and name HE22))
 OR {  785}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 65   and name HZ  ))
 OR {  785}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 64   and name HH2 ))
 OR {  785}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 57   and name HE22))
 OR {  785}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 63   and name HE22))
 OR {  785}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 64   and name HD1 ))
 OR {  785}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 63   and name HE22))
 OR {  785}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 64   and name HD1 ))
 OR {  785}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 64   and name HH2 ))
 OR {  785}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 65   and name HZ  ))
 OR {  785}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 49   and name HE22))
 OR {  785}
   (  segid "    " and resid 76   and name HD2%)
   (  segid "    " and resid 43   and name HD% )
 OR {  785}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 68   and name HE22))
 OR {  785}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 57   and name HE22))
 OR {  785}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 12   and name HE21))
 OR {  785}
   (  segid "    " and resid 84   and name HD2%)
   (  segid "    " and resid 43   and name HD% )
 OR {  785}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 49   and name HE22))
 OR {  785}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 12   and name HE21))
 OR {  785}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 80   and name HD22))
 ASSI {  786}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 1    and name HB3 ))
      3.100     1.200     1.200 peak   786 spectrum    1 weight  0.10000E+01 volume  0.29427E-02 ppm1      0.777 ppm2      3.077 CV     1
 OR {  786}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 1    and name HB2 ))
 OR {  786}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 14   and name HB3 ))
 OR {  786}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 24   and name HD3 ))
 OR {  786}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 14   and name HB2 ))
 OR {  786}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 39   and name HB2 ))
 OR {  786}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 50   and name HD3 ))
 OR {  786}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 50   and name HD2 ))
 OR {  786}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 46   and name HB3 ))
 OR {  786}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 58   and name HB3 ))
 OR {  786}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 64   and name HB3 ))
 OR {  786}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 64   and name HB2 ))
 OR {  786}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 65   and name HB2 ))
 OR {  786}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 67   and name HB3 ))
 OR {  786}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 70   and name HD2 ))
 OR {  786}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 70   and name HD3 ))
 OR {  786}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 73   and name HB2 ))
 OR {  786}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 81   and name HB2 ))
 OR {  786}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 85   and name HD3 ))
 OR {  786}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 85   and name HD2 ))
 ASSI {  787}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 77   and name HB3 ))
      3.200     1.300     1.300 peak   787 spectrum    1 weight  0.10000E+01 volume  0.14603E-02 ppm1      0.780 ppm2      2.184 CV     1
 OR {  787}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 17   and name HB2 ))
 OR {  787}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 26   and name HB  ))
 OR {  787}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 5    and name HB2 ))
 OR {  787}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 28   and name HG3 ))
 OR {  787}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 30   and name HG2 ))
 OR {  787}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 30   and name HG3 ))
 OR {  787}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 30   and name HB3 ))
 OR {  787}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 32   and name HG3 ))
 OR {  787}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 33   and name HG2 ))
 OR {  787}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 77   and name HB3 ))
 OR {  787}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 69   and name HG3 ))
 OR {  787}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 69   and name HG2 ))
 OR {  787}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 54   and name HB  ))
 OR {  787}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 66   and name HG2 ))
 OR {  787}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 49   and name HB2 ))
 OR {  787}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 63   and name HG2 ))
 OR {  787}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 63   and name HG3 ))
 OR {  787}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 69   and name HG3 ))
 OR {  787}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 69   and name HG2 ))
 OR {  787}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 66   and name HG2 ))
 OR {  787}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 63   and name HG3 ))
 OR {  787}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 63   and name HG2 ))
 OR {  787}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 63   and name HG2 ))
 OR {  787}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 63   and name HG3 ))
 OR {  787}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 49   and name HB2 ))
 OR {  787}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 66   and name HG2 ))
 OR {  787}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 54   and name HB  ))
 OR {  787}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 69   and name HG2 ))
 OR {  787}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 69   and name HG3 ))
 OR {  787}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 33   and name HG2 ))
 OR {  787}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 32   and name HG3 ))
 OR {  787}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 5    and name HB2 ))
 OR {  787}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 49   and name HB2 ))
 OR {  787}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 54   and name HB  ))
 OR {  787}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 30   and name HB3 ))
 OR {  787}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 30   and name HG3 ))
 OR {  787}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 30   and name HG2 ))
 OR {  787}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 28   and name HG3 ))
 OR {  787}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 17   and name HB2 ))
 OR {  787}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 26   and name HB  ))
 OR {  787}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 77   and name HB3 ))
 OR {  787}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 33   and name HG2 ))
 OR {  787}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 32   and name HG3 ))
 OR {  787}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 5    and name HB2 ))
 OR {  787}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 30   and name HB3 ))
 OR {  787}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 30   and name HG3 ))
 OR {  787}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 30   and name HG2 ))
 OR {  787}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 28   and name HG3 ))
 OR {  787}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 17   and name HB2 ))
 OR {  787}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 26   and name HB  ))
 ASSI {  788}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 4    and name HG3 ))
      3.600     1.600     1.600 peak   788 spectrum    1 weight  0.10000E+01 volume  0.35259E-02 ppm1      0.778 ppm2      1.898 CV     1
 OR {  788}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 17   and name HG2 ))
 OR {  788}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 15   and name HB3 ))
 OR {  788}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 5    and name HB3 ))
 OR {  788}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 5    and name HG3 ))
 OR {  788}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 5    and name HG2 ))
 OR {  788}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 24   and name HB2 ))
 OR {  788}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 28   and name HB3 ))
 OR {  788}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 25   and name HB2 ))
 OR {  788}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 13   and name HB3 ))
 OR {  788}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 30   and name HB2 ))
 OR {  788}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 12   and name HB2 ))
 OR {  788}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 32   and name HB2 ))
 OR {  788}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 41   and name HG3 ))
 OR {  788}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 44   and name HB  ))
 OR {  788}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 50   and name HB3 ))
 OR {  788}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 49   and name HB3 ))
 OR {  788}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 47   and name HB3 ))
 OR {  788}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 56   and name HB3 ))
 OR {  788}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 57   and name HB3 ))
 OR {  788}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 63   and name HB2 ))
 OR {  788}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 66   and name HB2 ))
 OR {  788}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 68   and name HG2 ))
 OR {  788}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 68   and name HB2 ))
 OR {  788}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 69   and name HB2 ))
 OR {  788}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 77   and name HG2 ))
 OR {  788}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 77   and name HG3 ))
 OR {  788}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 83   and name HB2 ))
 OR {  788}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 87   and name HB3 ))
 ASSI {  789}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 4    and name HB2 ))
      3.300     1.300     1.300 peak   789 spectrum    1 weight  0.10000E+01 volume  0.36868E-02 ppm1      0.782 ppm2      1.830 CV     1
 OR {  789}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 17   and name HG2 ))
 OR {  789}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 15   and name HB3 ))
 OR {  789}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 5    and name HB3 ))
 OR {  789}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 16   and name HB2 ))
 OR {  789}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 27   and name HB  ))
 OR {  789}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 29   and name HB  ))
 OR {  789}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 24   and name HB2 ))
 OR {  789}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 28   and name HB3 ))
 OR {  789}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 24   and name HB3 ))
 OR {  789}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 24   and name HG2 ))
 OR {  789}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 32   and name HB3 ))
 OR {  789}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 32   and name HB2 ))
 OR {  789}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 41   and name HB3 ))
 OR {  789}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 41   and name HB2 ))
 OR {  789}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 41   and name HG3 ))
 OR {  789}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 50   and name HB3 ))
 OR {  789}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 50   and name HB2 ))
 OR {  789}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 47   and name HB3 ))
 OR {  789}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 56   and name HB3 ))
 OR {  789}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 68   and name HG2 ))
 OR {  789}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 68   and name HB2 ))
 OR {  789}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 70   and name HB3 ))
 OR {  789}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 77   and name HG2 ))
 OR {  789}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 77   and name HG3 ))
 OR {  789}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 86   and name HB3 ))
 ASSI {  790}
   (( segid "    " and resid 1    and name HB3 ))
   (( segid "    " and resid 2    and name HB2 ))
      4.500     2.500     1.500 peak   790 spectrum    1 weight  0.10000E+01 volume  0.14048E-02 ppm1      3.112 ppm2      1.475 CV     1
 OR {  790}
   (( segid "    " and resid 1    and name HB3 ))
   (( segid "    " and resid 2    and name HG  ))
 OR {  790}
   (( segid "    " and resid 1    and name HB3 ))
   (( segid "    " and resid 18   and name HB2 ))
 OR {  790}
   (( segid "    " and resid 1    and name HB3 ))
   (( segid "    " and resid 2    and name HB3 ))
 OR {  790}
   (( segid "    " and resid 1    and name HB3 ))
   (( segid "    " and resid 3    and name HB2 ))
 OR {  790}
   (( segid "    " and resid 1    and name HB3 ))
   (( segid "    " and resid 3    and name HB3 ))
 OR {  790}
   (( segid "    " and resid 1    and name HB3 ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {  790}
   (( segid "    " and resid 1    and name HB3 ))
   (( segid "    " and resid 15   and name HB2 ))
 OR {  790}
   (( segid "    " and resid 1    and name HB3 ))
   (( segid "    " and resid 15   and name HG2 ))
 OR {  790}
   (( segid "    " and resid 1    and name HB3 ))
   (( segid "    " and resid 23   and name HB2 ))
 OR {  790}
   (( segid "    " and resid 1    and name HB3 ))
   (( segid "    " and resid 21   and name HG2 ))
 OR {  790}
   (( segid "    " and resid 1    and name HB3 ))
   (( segid "    " and resid 27   and name HG12))
 OR {  790}
   (( segid "    " and resid 1    and name HB3 ))
   (( segid "    " and resid 22   and name HG  ))
 OR {  790}
   (( segid "    " and resid 1    and name HB3 ))
   (( segid "    " and resid 52   and name HB  ))
 OR {  790}
   (( segid "    " and resid 1    and name HB3 ))
   (  segid "    " and resid 48   and name HB% )
 OR {  790}
   (( segid "    " and resid 1    and name HB3 ))
   (( segid "    " and resid 47   and name HG  ))
 OR {  790}
   (( segid "    " and resid 1    and name HB3 ))
   (( segid "    " and resid 50   and name HG2 ))
 OR {  790}
   (( segid "    " and resid 1    and name HB3 ))
   (( segid "    " and resid 61   and name HB3 ))
 OR {  790}
   (( segid "    " and resid 1    and name HB3 ))
   (( segid "    " and resid 70   and name HG3 ))
 OR {  790}
   (( segid "    " and resid 1    and name HB3 ))
   (( segid "    " and resid 72   and name HB3 ))
 OR {  790}
   (( segid "    " and resid 1    and name HB3 ))
   (( segid "    " and resid 72   and name HG  ))
 OR {  790}
   (( segid "    " and resid 1    and name HB3 ))
   (( segid "    " and resid 76   and name HB2 ))
 OR {  790}
   (( segid "    " and resid 1    and name HB3 ))
   (( segid "    " and resid 76   and name HB3 ))
 OR {  790}
   (( segid "    " and resid 1    and name HB3 ))
   (( segid "    " and resid 79   and name HG  ))
 OR {  790}
   (( segid "    " and resid 1    and name HB3 ))
   (( segid "    " and resid 79   and name HB2 ))
 OR {  790}
   (( segid "    " and resid 1    and name HB3 ))
   (( segid "    " and resid 84   and name HB2 ))
 OR {  790}
   (( segid "    " and resid 1    and name HB3 ))
   (( segid "    " and resid 84   and name HG  ))
 OR {  790}
   (( segid "    " and resid 1    and name HB3 ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {  790}
   (( segid "    " and resid 1    and name HB3 ))
   (( segid "    " and resid 85   and name HG3 ))
 ASSI {  791}
   (( segid "    " and resid 87   and name HG3 ))
   (( segid "    " and resid 86   and name HA  ))
      2.300     0.700     0.700 peak   791 spectrum    1 weight  0.10000E+01 volume  0.11383E-02 ppm1      2.458 ppm2      4.243 CV     1
 OR {  791}
   (( segid "    " and resid 87   and name HG3 ))
   (( segid "    " and resid 85   and name HA  ))
 OR {  791}
   (( segid "    " and resid 87   and name HG3 ))
   (( segid "    " and resid 84   and name HA  ))
 OR {  791}
   (( segid "    " and resid 87   and name HG3 ))
   (( segid "    " and resid 79   and name HA  ))
 OR {  791}
   (( segid "    " and resid 87   and name HG3 ))
   (( segid "    " and resid 78   and name HA  ))
 OR {  791}
   (( segid "    " and resid 87   and name HG3 ))
   (( segid "    " and resid 75   and name HA  ))
 OR {  791}
   (( segid "    " and resid 87   and name HG3 ))
   (( segid "    " and resid 72   and name HA  ))
 OR {  791}
   (( segid "    " and resid 87   and name HG3 ))
   (( segid "    " and resid 64   and name HA  ))
 OR {  791}
   (( segid "    " and resid 87   and name HG3 ))
   (( segid "    " and resid 11   and name HB  ))
 OR {  791}
   (( segid "    " and resid 87   and name HG3 ))
   (( segid "    " and resid 11   and name HA  ))
 OR {  791}
   (( segid "    " and resid 87   and name HG3 ))
   (( segid "    " and resid 8    and name HA  ))
 OR {  791}
   (( segid "    " and resid 87   and name HG3 ))
   (( segid "    " and resid 7    and name HA  ))
 OR {  791}
   (( segid "    " and resid 87   and name HG3 ))
   (( segid "    " and resid 37   and name HA  ))
 OR {  791}
   (( segid "    " and resid 87   and name HG3 ))
   (( segid "    " and resid 16   and name HA  ))
 OR {  791}
   (( segid "    " and resid 87   and name HG3 ))
   (( segid "    " and resid 27   and name HA  ))
 OR {  791}
   (( segid "    " and resid 87   and name HG3 ))
   (( segid "    " and resid 20   and name HA  ))
 ASSI {  793}
   (( segid "    " and resid 85   and name HA  ))
   (  segid "    " and resid 83   and name HE% )
      3.700     1.700     1.700 peak   793 spectrum    1 weight  0.10000E+01 volume  0.24931E-02 ppm1      4.247 ppm2      2.011 CV     1
 OR {  793}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 83   and name HB2 ))
 OR {  793}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 87   and name HB2 ))
 OR {  793}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 83   and name HB3 ))
 OR {  793}
   (( segid "    " and resid 85   and name HA  ))
   (  segid "    " and resid 87   and name HE% )
 OR {  793}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 69   and name HB3 ))
 OR {  793}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 66   and name HB3 ))
 OR {  793}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {  793}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 63   and name HB2 ))
 OR {  793}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 59   and name HB2 ))
 OR {  793}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 59   and name HG2 ))
 OR {  793}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 59   and name HG3 ))
 OR {  793}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 57   and name HB3 ))
 OR {  793}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 56   and name HB2 ))
 OR {  793}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 12   and name HB3 ))
 OR {  793}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 33   and name HG3 ))
 OR {  793}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 33   and name HB2 ))
 OR {  793}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
 OR {  793}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 4    and name HG3 ))
 OR {  793}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 28   and name HB2 ))
 OR {  793}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {  793}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 17   and name HG3 ))
 OR {  793}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 25   and name HB3 ))
 OR {  793}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
 ASSI {  794}
   (( segid "    " and resid 86   and name HB3 ))
   (( segid "    " and resid 87   and name HA  ))
      3.700     1.700     1.700 peak   794 spectrum    1 weight  0.10000E+01 volume  0.11383E-02 ppm1      1.773 ppm2      4.482 CV     1
 OR {  794}
   (( segid "    " and resid 68   and name HG3 ))
   (( segid "    " and resid 67   and name HA  ))
 OR {  794}
   (( segid "    " and resid 86   and name HB3 ))
   (( segid "    " and resid 81   and name HA  ))
 OR {  794}
   (( segid "    " and resid 68   and name HG3 ))
   (( segid "    " and resid 76   and name HA  ))
 OR {  794}
   (( segid "    " and resid 68   and name HG3 ))
   (( segid "    " and resid 59   and name HA  ))
 OR {  794}
   (( segid "    " and resid 86   and name HB3 ))
   (( segid "    " and resid 76   and name HA  ))
 OR {  794}
   (( segid "    " and resid 68   and name HG3 ))
   (( segid "    " and resid 57   and name HA  ))
 OR {  794}
   (( segid "    " and resid 68   and name HG3 ))
   (( segid "    " and resid 81   and name HA  ))
 OR {  794}
   (( segid "    " and resid 68   and name HG3 ))
   (( segid "    " and resid 49   and name HA  ))
 OR {  794}
   (( segid "    " and resid 68   and name HG3 ))
   (( segid "    " and resid 52   and name HA  ))
 OR {  794}
   (( segid "    " and resid 68   and name HG3 ))
   (( segid "    " and resid 44   and name HA  ))
 OR {  794}
   (( segid "    " and resid 68   and name HG3 ))
   (( segid "    " and resid 10   and name HA  ))
 OR {  794}
   (( segid "    " and resid 68   and name HG3 ))
   (( segid "    " and resid 87   and name HA  ))
 OR {  794}
   (( segid "    " and resid 68   and name HG3 ))
   (( segid "    " and resid 9    and name HA  ))
 OR {  794}
   (( segid "    " and resid 86   and name HB3 ))
   (( segid "    " and resid 67   and name HA  ))
 OR {  794}
   (( segid "    " and resid 68   and name HG3 ))
   (( segid "    " and resid 40   and name HA  ))
 OR {  794}
   (( segid "    " and resid 68   and name HG3 ))
   (( segid "    " and resid 12   and name HA  ))
 OR {  794}
   (( segid "    " and resid 68   and name HG3 ))
   (( segid "    " and resid 14   and name HA  ))
 OR {  794}
   (( segid "    " and resid 68   and name HG3 ))
   (( segid "    " and resid 32   and name HA  ))
 OR {  794}
   (( segid "    " and resid 68   and name HG3 ))
   (( segid "    " and resid 31   and name HA  ))
 OR {  794}
   (( segid "    " and resid 68   and name HG3 ))
   (( segid "    " and resid 3    and name HA  ))
 OR {  794}
   (( segid "    " and resid 68   and name HG3 ))
   (( segid "    " and resid 17   and name HA  ))
 OR {  794}
   (( segid "    " and resid 68   and name HG3 ))
   (( segid "    " and resid 18   and name HA  ))
 OR {  794}
   (( segid "    " and resid 86   and name HB3 ))
   (( segid "    " and resid 59   and name HA  ))
 OR {  794}
   (( segid "    " and resid 86   and name HB3 ))
   (( segid "    " and resid 57   and name HA  ))
 OR {  794}
   (( segid "    " and resid 86   and name HB3 ))
   (( segid "    " and resid 49   and name HA  ))
 OR {  794}
   (( segid "    " and resid 86   and name HB3 ))
   (( segid "    " and resid 52   and name HA  ))
 OR {  794}
   (( segid "    " and resid 86   and name HB3 ))
   (( segid "    " and resid 44   and name HA  ))
 OR {  794}
   (( segid "    " and resid 86   and name HB3 ))
   (( segid "    " and resid 10   and name HA  ))
 OR {  794}
   (( segid "    " and resid 86   and name HB3 ))
   (( segid "    " and resid 9    and name HA  ))
 OR {  794}
   (( segid "    " and resid 86   and name HB3 ))
   (( segid "    " and resid 40   and name HA  ))
 OR {  794}
   (( segid "    " and resid 86   and name HB3 ))
   (( segid "    " and resid 12   and name HA  ))
 OR {  794}
   (( segid "    " and resid 86   and name HB3 ))
   (( segid "    " and resid 14   and name HA  ))
 OR {  794}
   (( segid "    " and resid 86   and name HB3 ))
   (( segid "    " and resid 32   and name HA  ))
 OR {  794}
   (( segid "    " and resid 86   and name HB3 ))
   (( segid "    " and resid 31   and name HA  ))
 OR {  794}
   (( segid "    " and resid 86   and name HB3 ))
   (( segid "    " and resid 3    and name HA  ))
 OR {  794}
   (( segid "    " and resid 86   and name HB3 ))
   (( segid "    " and resid 17   and name HA  ))
 OR {  794}
   (( segid "    " and resid 86   and name HB3 ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI {  795}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HB2 ))
      1.900     0.500     0.500 peak   795 spectrum    1 weight  0.10000E+01 volume  0.28834E-01 ppm1      4.252 ppm2      1.528 CV     1
 OR {  795}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HB3 ))
 OR {  795}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HG  ))
 OR {  795}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 85   and name HG3 ))
 OR {  795}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {  795}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 76   and name HG  ))
 OR {  795}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 76   and name HB3 ))
 OR {  795}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 76   and name HB2 ))
 OR {  795}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 72   and name HB3 ))
 OR {  795}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {  795}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {  795}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 70   and name HG2 ))
 OR {  795}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 70   and name HG3 ))
 OR {  795}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 61   and name HB3 ))
 OR {  795}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 47   and name HG  ))
 OR {  795}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 50   and name HG2 ))
 OR {  795}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 45   and name HG  ))
 OR {  795}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 52   and name HB  ))
 OR {  795}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 13   and name HG  ))
 OR {  795}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 15   and name HG2 ))
 OR {  795}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {  795}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 3    and name HB3 ))
 OR {  795}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {  795}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 3    and name HB2 ))
 OR {  795}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 3    and name HG  ))
 OR {  795}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 2    and name HB3 ))
 OR {  795}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 27   and name HG12))
 OR {  795}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 2    and name HB2 ))
 OR {  795}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 2    and name HG  ))
 OR {  795}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 18   and name HB2 ))
 OR {  795}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {  795}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {  795}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {  795}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 22   and name HB3 ))
 OR {  795}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 21   and name HD2 ))
 OR {  795}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 21   and name HD3 ))
 ASSI {  796}
   (( segid "    " and resid 64   and name HE3 ))
   (  segid "    " and resid 61   and name HD1%)
      2.300     0.700     0.700 peak   796 spectrum    1 weight  0.10000E+01 volume  0.11216E-02 ppm1      6.982 ppm2      0.474 CV     1
 OR {  796}
   (( segid "    " and resid 64   and name HE3 ))
   (  segid "    " and resid 52   and name HD1%)
 OR {  796}
   (( segid "    " and resid 64   and name HE3 ))
   (  segid "    " and resid 29   and name HG2%)
 OR {  796}
   (( segid "    " and resid 64   and name HE3 ))
   (  segid "    " and resid 23   and name HD1%)
 ASSI {  797}
   (  segid "    " and resid 1    and name HE% )
   (  segid "    " and resid 2    and name HD2%)
      4.400     2.400     1.600 peak   797 spectrum    1 weight  0.10000E+01 volume  0.12271E-02 ppm1      7.288 ppm2      0.835 CV     1
 OR {  797}
   (  segid "    " and resid 1    and name HE% )
   (  segid "    " and resid 2    and name HD1%)
 OR {  797}
   (  segid "    " and resid 1    and name HE% )
   (  segid "    " and resid 3    and name HD1%)
 OR {  797}
   (  segid "    " and resid 1    and name HE% )
   (  segid "    " and resid 3    and name HD2%)
 OR {  797}
   (  segid "    " and resid 1    and name HE% )
   (( segid "    " and resid 23   and name HB3 ))
 OR {  797}
   (  segid "    " and resid 1    and name HE% )
   (  segid "    " and resid 26   and name HG1%)
 OR {  797}
   (  segid "    " and resid 1    and name HE% )
   (  segid "    " and resid 27   and name HG2%)
 OR {  797}
   (  segid "    " and resid 1    and name HE% )
   (  segid "    " and resid 13   and name HD1%)
 OR {  797}
   (  segid "    " and resid 1    and name HE% )
   (  segid "    " and resid 40   and name HD1%)
 OR {  797}
   (  segid "    " and resid 1    and name HE% )
   (  segid "    " and resid 44   and name HG2%)
 OR {  797}
   (  segid "    " and resid 1    and name HE% )
   (( segid "    " and resid 52   and name HG13))
 OR {  797}
   (  segid "    " and resid 1    and name HE% )
   (  segid "    " and resid 54   and name HD1%)
 OR {  797}
   (  segid "    " and resid 1    and name HE% )
   (  segid "    " and resid 72   and name HD2%)
 OR {  797}
   (  segid "    " and resid 1    and name HE% )
   (  segid "    " and resid 76   and name HD2%)
 OR {  797}
   (  segid "    " and resid 1    and name HE% )
   (  segid "    " and resid 76   and name HD1%)
 OR {  797}
   (  segid "    " and resid 1    and name HE% )
   (  segid "    " and resid 84   and name HD2%)
 OR {  797}
   (  segid "    " and resid 1    and name HE% )
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  798}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 66   and name H   ))
      3.500     1.500     1.500 peak   798 spectrum    1 weight  0.10000E+01 volume  0.26819E-02 ppm1      4.079 ppm2      8.006 CV     1
 OR {  798}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 70   and name H   ))
 OR {  798}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 71   and name H   ))
 OR {  798}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 72   and name H   ))
 OR {  798}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 75   and name H   ))
 OR {  798}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 39   and name H   ))
 OR {  798}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 35   and name H   ))
 OR {  798}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 83   and name H   ))
 OR {  798}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 84   and name H   ))
 ASSI {  799}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 68   and name HA  ))
      4.000     2.000     2.000 peak   799 spectrum    1 weight  0.10000E+01 volume  0.12382E-02 ppm1      3.149 ppm2      4.031 CV     1
 OR {  799}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 66   and name HA  ))
 OR {  799}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 63   and name HA  ))
 OR {  799}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 66   and name HA  ))
 OR {  799}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 69   and name HA  ))
 OR {  799}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 61   and name HA  ))
 OR {  799}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 63   and name HA  ))
 OR {  799}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 68   and name HA  ))
 OR {  799}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 69   and name HA  ))
 OR {  799}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 59   and name HD3 ))
 OR {  799}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 61   and name HA  ))
 OR {  799}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 59   and name HD3 ))
 OR {  799}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 48   and name HA  ))
 OR {  799}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 48   and name HA  ))
 OR {  799}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 36   and name HA3 ))
 OR {  799}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 36   and name HA3 ))
 OR {  799}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 22   and name HA  ))
 OR {  799}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 22   and name HA  ))
 ASSI {  800}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 66   and name HA  ))
      3.400     1.500     1.500 peak   800 spectrum    1 weight  0.10000E+01 volume  0.12771E-02 ppm1      3.072 ppm2      3.992 CV     1
 OR {  800}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 68   and name HA  ))
 OR {  800}
   (( segid "    " and resid 64   and name HB3 ))
   (( segid "    " and resid 62   and name HB3 ))
 OR {  800}
   (( segid "    " and resid 64   and name HB3 ))
   (( segid "    " and resid 62   and name HB2 ))
 OR {  800}
   (( segid "    " and resid 64   and name HB3 ))
   (( segid "    " and resid 66   and name HA  ))
 OR {  800}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 69   and name HA  ))
 OR {  800}
   (( segid "    " and resid 64   and name HB3 ))
   (( segid "    " and resid 61   and name HA  ))
 OR {  800}
   (( segid "    " and resid 64   and name HB3 ))
   (( segid "    " and resid 68   and name HA  ))
 OR {  800}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 62   and name HB3 ))
 OR {  800}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 62   and name HB2 ))
 OR {  800}
   (( segid "    " and resid 64   and name HB3 ))
   (( segid "    " and resid 69   and name HA  ))
 OR {  800}
   (( segid "    " and resid 64   and name HB3 ))
   (( segid "    " and resid 59   and name HD3 ))
 OR {  800}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 61   and name HA  ))
 OR {  800}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 74   and name HA3 ))
 OR {  800}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 74   and name HA2 ))
 OR {  800}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 59   and name HD3 ))
 OR {  800}
   (( segid "    " and resid 64   and name HB3 ))
   (( segid "    " and resid 48   and name HA  ))
 OR {  800}
   (( segid "    " and resid 64   and name HB3 ))
   (( segid "    " and resid 74   and name HA3 ))
 OR {  800}
   (( segid "    " and resid 64   and name HB3 ))
   (( segid "    " and resid 74   and name HA2 ))
 OR {  800}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 48   and name HA  ))
 OR {  800}
   (( segid "    " and resid 64   and name HB3 ))
   (( segid "    " and resid 36   and name HA3 ))
 OR {  800}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 36   and name HA3 ))
 OR {  800}
   (( segid "    " and resid 64   and name HB3 ))
   (( segid "    " and resid 22   and name HA  ))
 OR {  800}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 22   and name HA  ))
 ASSI {  801}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 59   and name HA  ))
      4.200     2.200     1.800 peak   801 spectrum    1 weight  0.10000E+01 volume  0.10772E-02 ppm1      3.651 ppm2      4.461 CV     1
 OR {  801}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 57   and name HA  ))
 OR {  801}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 49   and name HA  ))
 OR {  801}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 67   and name HA  ))
 OR {  801}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 52   and name HA  ))
 OR {  801}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 44   and name HA  ))
 OR {  801}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 9    and name HA  ))
 OR {  801}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 40   and name HA  ))
 OR {  801}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 12   and name HA  ))
 OR {  801}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 14   and name HA  ))
 OR {  801}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 32   and name HA  ))
 OR {  801}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 31   and name HA  ))
 OR {  801}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 17   and name HA  ))
 OR {  801}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 18   and name HA  ))
 OR {  801}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 81   and name HA  ))
 OR {  801}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 87   and name HA  ))
 ASSI {  802}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 38   and name HB2 ))
      3.100     1.200     1.200 peak   802 spectrum    1 weight  0.10000E+01 volume  0.26652E-02 ppm1      4.631 ppm2      2.902 CV     1
 OR {  802}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 9    and name HB3 ))
 OR {  802}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 16   and name HE3 ))
 OR {  802}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 15   and name HD3 ))
 OR {  802}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 16   and name HE2 ))
 OR {  802}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 25   and name HE2 ))
 OR {  802}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 25   and name HE3 ))
 OR {  802}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 55   and name HB2 ))
 OR {  802}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 21   and name HE3 ))
 OR {  802}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 21   and name HE2 ))
 OR {  802}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 71   and name HE2 ))
 OR {  802}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 71   and name HE3 ))
 OR {  802}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 78   and name HE3 ))
 OR {  802}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 78   and name HE2 ))
 OR {  802}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 81   and name HB3 ))
 OR {  802}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 86   and name HE2 ))
 OR {  802}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 86   and name HE3 ))
 ASSI {  803}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 44   and name HG1%)
      1.800     0.400     0.400 peak   803 spectrum    1 weight  0.10000E+01 volume  0.55914E-02 ppm1      0.583 ppm2      0.356 CV     1
 OR {  803}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 31   and name HD2%)
 OR {  803}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 61   and name HD2%)
 ASSI {  804}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 26   and name HB  ))
      3.600     1.600     1.600 peak   804 spectrum    1 weight  0.10000E+01 volume  0.11660E-02 ppm1      0.675 ppm2      2.163 CV     1
 OR {  804}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 17   and name HB2 ))
 OR {  804}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 77   and name HB3 ))
 OR {  804}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 28   and name HG3 ))
 OR {  804}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 30   and name HG2 ))
 OR {  804}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 30   and name HG3 ))
 OR {  804}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 30   and name HB3 ))
 OR {  804}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 5    and name HB2 ))
 OR {  804}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 32   and name HG3 ))
 OR {  804}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 33   and name HG2 ))
 OR {  804}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 69   and name HG3 ))
 OR {  804}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 69   and name HG2 ))
 OR {  804}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 54   and name HB  ))
 OR {  804}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 49   and name HB2 ))
 OR {  804}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 66   and name HG2 ))
 OR {  804}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 63   and name HG3 ))
 OR {  804}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 63   and name HG3 ))
 OR {  804}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 66   and name HG2 ))
 OR {  804}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 49   and name HB2 ))
 OR {  804}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 54   and name HB  ))
 OR {  804}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 69   and name HG2 ))
 OR {  804}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 69   and name HG3 ))
 OR {  804}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 33   and name HG2 ))
 OR {  804}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 32   and name HG3 ))
 OR {  804}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 5    and name HB2 ))
 OR {  804}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 30   and name HB3 ))
 OR {  804}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 30   and name HG3 ))
 OR {  804}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 30   and name HG2 ))
 OR {  804}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 28   and name HG3 ))
 OR {  804}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 77   and name HB3 ))
 OR {  804}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 17   and name HB2 ))
 OR {  804}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 26   and name HB  ))
 ASSI {  805}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 9    and name HB2 ))
      4.300     2.400     1.700 peak   805 spectrum    1 weight  0.10000E+01 volume  0.11105E-02 ppm1      0.785 ppm2      2.563 CV     1
 OR {  805}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 37   and name HB2 ))
 OR {  805}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 10   and name HB3 ))
 OR {  805}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 43   and name HB3 ))
 OR {  805}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 43   and name HB2 ))
 OR {  805}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 35   and name HB2 ))
 OR {  805}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 20   and name HB2 ))
 OR {  805}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 20   and name HB3 ))
 OR {  805}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 80   and name HB2 ))
 OR {  805}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 83   and name HG2 ))
 OR {  805}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 87   and name HG2 ))
 ASSI {  806}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 50   and name HB2 ))
      2.300     0.700     0.700 peak   806 spectrum    1 weight  0.10000E+01 volume  0.10772E-02 ppm1      3.656 ppm2      1.761 CV     1
 OR {  806}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {  806}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 68   and name HG3 ))
 OR {  806}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 70   and name HB2 ))
 OR {  806}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 41   and name HB2 ))
 OR {  806}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 41   and name HB3 ))
 OR {  806}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 70   and name HB3 ))
 OR {  806}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 71   and name HB3 ))
 OR {  806}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 32   and name HB3 ))
 OR {  806}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 29   and name HB  ))
 OR {  806}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 16   and name HB2 ))
 OR {  806}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 4    and name HB2 ))
 OR {  806}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 27   and name HB  ))
 OR {  806}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 17   and name HB3 ))
 OR {  806}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 18   and name HG  ))
 OR {  806}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 77   and name HB2 ))
 OR {  806}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 24   and name HB3 ))
 OR {  806}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 24   and name HG2 ))
 OR {  806}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 78   and name HB2 ))
 OR {  806}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 24   and name HG3 ))
 OR {  806}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 85   and name HB3 ))
 OR {  806}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 86   and name HB2 ))
 OR {  806}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 86   and name HB3 ))
 ASSI {  807}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 4    and name HD3 ))
      4.200     2.200     1.800 peak   807 spectrum    1 weight  0.10000E+01 volume  0.13382E-02 ppm1      4.113 ppm2      3.793 CV     1
 OR {  807}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 19   and name HB3 ))
 OR {  807}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 21   and name HA  ))
 OR {  807}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 6    and name HB3 ))
 OR {  807}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 6    and name HB2 ))
 OR {  807}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 36   and name HA2 ))
 OR {  807}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 34   and name HA  ))
 OR {  807}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 77   and name HD3 ))
 OR {  807}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 82   and name HA2 ))
 OR {  807}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 82   and name HA3 ))
 ASSI {  808}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 55   and name HA  ))
      3.600     1.600     1.600 peak   808 spectrum    1 weight  0.10000E+01 volume  0.10383E-02 ppm1      3.641 ppm2      4.377 CV     1
 OR {  808}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 40   and name HA  ))
 OR {  808}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 42   and name HA  ))
 OR {  808}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 56   and name HA  ))
 OR {  808}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 13   and name HA  ))
 OR {  808}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 6    and name HA  ))
 OR {  808}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 33   and name HA  ))
 OR {  808}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 5    and name HA  ))
 OR {  808}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 15   and name HA  ))
 OR {  808}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 59   and name HA  ))
 OR {  808}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 60   and name HA  ))
 OR {  808}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 2    and name HA  ))
 OR {  808}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 18   and name HA  ))
 OR {  808}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 19   and name HA  ))
 OR {  808}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 25   and name HA  ))
 OR {  808}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 77   and name HA  ))
 OR {  808}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 81   and name HA  ))
 OR {  808}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 83   and name HA  ))
 ASSI {  809}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 55   and name HA  ))
      3.400     1.400     1.400 peak   809 spectrum    1 weight  0.10000E+01 volume  0.92171E-03 ppm1      2.651 ppm2      4.352 CV     1
 OR {  809}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 11   and name HA  ))
 OR {  809}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 40   and name HA  ))
 OR {  809}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 42   and name HA  ))
 OR {  809}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 8    and name HA  ))
 OR {  809}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 56   and name HA  ))
 OR {  809}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 13   and name HA  ))
 OR {  809}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 6    and name HA  ))
 OR {  809}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 33   and name HA  ))
 OR {  809}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 5    and name HA  ))
 OR {  809}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 15   and name HA  ))
 OR {  809}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 59   and name HA  ))
 OR {  809}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 16   and name HA  ))
 OR {  809}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 60   and name HA  ))
 OR {  809}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 2    and name HA  ))
 OR {  809}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 19   and name HA  ))
 OR {  809}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 25   and name HA  ))
 OR {  809}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 75   and name HA  ))
 OR {  809}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 77   and name HA  ))
 OR {  809}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 83   and name HA  ))
 ASSI {  811}
   (( segid "    " and resid 29   and name HB  ))
   (( segid "    " and resid 28   and name HG2 ))
      3.200     1.300     1.300 peak   811 spectrum    1 weight  0.10000E+01 volume  0.14936E-02 ppm1      1.783 ppm2      2.297 CV     1
 OR {  811}
   (( segid "    " and resid 29   and name HB  ))
   (( segid "    " and resid 30   and name HG2 ))
 OR {  811}
   (( segid "    " and resid 29   and name HB  ))
   (( segid "    " and resid 4    and name HB3 ))
 OR {  811}
   (( segid "    " and resid 29   and name HB  ))
   (( segid "    " and resid 12   and name HG3 ))
 OR {  811}
   (( segid "    " and resid 29   and name HB  ))
   (( segid "    " and resid 12   and name HG2 ))
 OR {  811}
   (( segid "    " and resid 29   and name HB  ))
   (( segid "    " and resid 32   and name HG2 ))
 OR {  811}
   (( segid "    " and resid 29   and name HB  ))
   (( segid "    " and resid 41   and name HG2 ))
 OR {  811}
   (( segid "    " and resid 29   and name HB  ))
   (( segid "    " and resid 49   and name HB2 ))
 OR {  811}
   (( segid "    " and resid 29   and name HB  ))
   (( segid "    " and resid 49   and name HG3 ))
 OR {  811}
   (( segid "    " and resid 29   and name HB  ))
   (( segid "    " and resid 49   and name HG2 ))
 OR {  811}
   (( segid "    " and resid 29   and name HB  ))
   (( segid "    " and resid 56   and name HD3 ))
 OR {  811}
   (( segid "    " and resid 29   and name HB  ))
   (( segid "    " and resid 63   and name HG3 ))
 OR {  811}
   (( segid "    " and resid 29   and name HB  ))
   (( segid "    " and resid 63   and name HG2 ))
 OR {  811}
   (( segid "    " and resid 29   and name HB  ))
   (( segid "    " and resid 66   and name HG3 ))
 ASSI {  812}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 71   and name HE2 ))
      4.400     2.400     1.600 peak   812 spectrum    1 weight  0.10000E+01 volume  0.16102E-02 ppm1      1.595 ppm2      2.910 CV     1
 OR {  812}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 71   and name HE3 ))
 OR {  812}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 9    and name HB3 ))
 OR {  812}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 55   and name HB2 ))
 OR {  812}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 38   and name HB2 ))
 OR {  812}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 78   and name HE3 ))
 OR {  812}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 16   and name HE3 ))
 OR {  812}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 78   and name HE2 ))
 OR {  812}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 16   and name HE2 ))
 OR {  812}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 25   and name HE2 ))
 OR {  812}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 25   and name HE3 ))
 OR {  812}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 81   and name HB3 ))
 OR {  812}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 21   and name HE3 ))
 OR {  812}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 21   and name HE2 ))
 OR {  812}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 55   and name HB2 ))
 OR {  812}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 86   and name HE2 ))
 OR {  812}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 86   and name HE3 ))
 OR {  812}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 71   and name HE2 ))
 OR {  812}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 71   and name HE3 ))
 OR {  812}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 9    and name HB3 ))
 OR {  812}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 38   and name HB2 ))
 OR {  812}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 16   and name HE3 ))
 OR {  812}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 16   and name HE2 ))
 OR {  812}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 78   and name HE3 ))
 OR {  812}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 78   and name HE2 ))
 OR {  812}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 25   and name HE2 ))
 OR {  812}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 25   and name HE3 ))
 OR {  812}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 81   and name HB3 ))
 OR {  812}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 21   and name HE3 ))
 OR {  812}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 21   and name HE2 ))
 OR {  812}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 86   and name HE2 ))
 OR {  812}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 86   and name HE3 ))
 ASSI {  813}
   (( segid "    " and resid 1    and name HZ  ))
   (  segid "    " and resid 2    and name HD2%)
      2.500     0.800     0.800 peak   813 spectrum    1 weight  0.10000E+01 volume  0.10383E-02 ppm1      7.282 ppm2      0.816 CV     1
 OR {  813}
   (( segid "    " and resid 1    and name HZ  ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  813}
   (( segid "    " and resid 1    and name HZ  ))
   (  segid "    " and resid 3    and name HD1%)
 OR {  813}
   (( segid "    " and resid 1    and name HZ  ))
   (( segid "    " and resid 23   and name HB3 ))
 OR {  813}
   (( segid "    " and resid 1    and name HZ  ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  813}
   (( segid "    " and resid 1    and name HZ  ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  813}
   (( segid "    " and resid 1    and name HZ  ))
   (  segid "    " and resid 27   and name HG2%)
 OR {  813}
   (( segid "    " and resid 1    and name HZ  ))
   (  segid "    " and resid 13   and name HD1%)
 OR {  813}
   (( segid "    " and resid 1    and name HZ  ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  813}
   (( segid "    " and resid 1    and name HZ  ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  813}
   (( segid "    " and resid 1    and name HZ  ))
   (( segid "    " and resid 52   and name HG13))
 OR {  813}
   (( segid "    " and resid 1    and name HZ  ))
   (  segid "    " and resid 54   and name HD1%)
 OR {  813}
   (( segid "    " and resid 1    and name HZ  ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  813}
   (( segid "    " and resid 1    and name HZ  ))
   (  segid "    " and resid 76   and name HD2%)
 OR {  813}
   (( segid "    " and resid 1    and name HZ  ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  813}
   (( segid "    " and resid 1    and name HZ  ))
   (  segid "    " and resid 84   and name HD2%)
 OR {  813}
   (( segid "    " and resid 1    and name HZ  ))
   (  segid "    " and resid 84   and name HD1%)
 ASSI {  814}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 12   and name HA  ))
      3.400     1.500     1.500 peak   814 spectrum    1 weight  0.10000E+01 volume  0.10994E-02 ppm1      2.917 ppm2      4.489 CV     1
 OR {  814}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 9    and name HA  ))
 OR {  814}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 10   and name HA  ))
 OR {  814}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 14   and name HA  ))
 OR {  814}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 44   and name HA  ))
 OR {  814}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 31   and name HA  ))
 OR {  814}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 52   and name HA  ))
 OR {  814}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 32   and name HA  ))
 OR {  814}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 3    and name HA  ))
 OR {  814}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 17   and name HA  ))
 OR {  814}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 18   and name HA  ))
 OR {  814}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 49   and name HA  ))
 OR {  814}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 57   and name HA  ))
 OR {  814}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 67   and name HA  ))
 OR {  814}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 76   and name HA  ))
 OR {  814}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 81   and name HA  ))
 OR {  814}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 87   and name HA  ))
 ASSI {  933}
   (( segid "    " and resid 77   and name HD2 ))
   (( segid "    " and resid 77   and name HG2 ))
      2.000     0.500     0.500 peak   933 spectrum    1 weight  0.10000E+01 volume  0.99167E-02 ppm1      3.504 ppm2      1.867 CV     1
 OR {  933}
   (( segid "    " and resid 77   and name HD2 ))
   (( segid "    " and resid 50   and name HB3 ))
 ASSI { 1095}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 61   and name HG  ))
      2.300     0.700     0.700 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.83731E-02 ppm1      0.467 ppm2      1.229 CV     1
 OR { 1095}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 54   and name HG2%)
 ASSI { 1112}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 61   and name HG  ))
      2.200     0.600     0.600 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.93781E-02 ppm1      0.357 ppm2      1.226 CV     1
 OR { 1112}
   (  segid "    " and resid 61   and name HD2%)
   (  segid "    " and resid 54   and name HG2%)
 ASSI { 1195}
   (( segid "    " and resid 56   and name HD3 ))
   (( segid "    " and resid 56   and name HA  ))
      3.300     1.400     1.400 peak  1195 spectrum    1 weight  0.10000E+01 volume  0.25208E-02 ppm1      2.319 ppm2      4.352 CV     1
 OR { 1195}
   (( segid "    " and resid 56   and name HD3 ))
   (( segid "    " and resid 42   and name HA  ))
 ASSI { 1535}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 32   and name H   ))
      2.300     0.700     0.700 peak  1535 spectrum    1 weight  0.10000E+01 volume  0.36758E-02 ppm1      4.468 ppm2      8.838 CV     1
 OR { 1535}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name H   ))
 ASSI {  133}
   (( segid "    " and resid 50   and name H   ))
   (( segid "    " and resid 51   and name HA  ))
      4.400     2.400     1.600 peak   133 spectrum    1 weight  0.10000E+01 volume  0.34781E-03 ppm1      7.243 ppm2      5.424 CV     1
 ASSI {  170}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 51   and name HA  ))
      5.800     4.200     0.200 peak   170 spectrum    1 weight  0.10000E+01 volume  0.34309E-03 ppm1      9.082 ppm2      5.417 CV     1
 ASSI {  248}
   (( segid "    " and resid 26   and name H   ))
   (  segid "    " and resid 23   and name HD2%)
      2.900     1.100     1.100 peak   248 spectrum    1 weight  0.10000E+01 volume  0.26027E-03 ppm1      7.205 ppm2      0.228 CV     1
 ASSI {  281}
   (( segid "    " and resid 22   and name H   ))
   (  segid "    " and resid 23   and name HD2%)
      4.300     2.300     1.700 peak   281 spectrum    1 weight  0.10000E+01 volume  0.25080E-03 ppm1      7.233 ppm2      0.227 CV     1
 ASSI {  302}
   (( segid "    " and resid 18   and name H   ))
   (  segid "    " and resid 23   and name HD2%)
      3.100     1.200     1.200 peak   302 spectrum    1 weight  0.10000E+01 volume  0.17983E-03 ppm1      8.447 ppm2      0.234 CV     1
 ASSI {  424}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 68   and name HE21))
      2.800     1.000     1.000 peak   424 spectrum    1 weight  0.10000E+01 volume  0.32416E-03 ppm1      9.989 ppm2      6.450 CV     1
 ASSI {  450}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 87   and name H   ))
      3.000     1.100     1.100 peak   450 spectrum    1 weight  0.10000E+01 volume  0.25837E-02 ppm1      7.924 ppm2      8.385 CV     1
 ASSI {  453}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 82   and name H   ))
      3.400     1.500     1.500 peak   453 spectrum    1 weight  0.10000E+01 volume  0.31894E-02 ppm1      7.983 ppm2      8.421 CV     1
 ASSI {  455}
   (( segid "    " and resid 81   and name H   ))
   (( segid "    " and resid 82   and name H   ))
      3.300     1.300     1.300 peak   455 spectrum    1 weight  0.10000E+01 volume  0.28747E-02 ppm1      8.214 ppm2      8.423 CV     1
 ASSI {  458}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 76   and name H   ))
      3.200     1.300     1.300 peak   458 spectrum    1 weight  0.10000E+01 volume  0.39442E-02 ppm1      8.008 ppm2      8.267 CV     1
 ASSI {  459}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 74   and name H   ))
      3.400     1.400     1.400 peak   459 spectrum    1 weight  0.10000E+01 volume  0.36083E-02 ppm1      8.008 ppm2      8.310 CV     1
 ASSI {  461}
   (( segid "    " and resid 72   and name H   ))
   (( segid "    " and resid 73   and name H   ))
      3.700     1.700     1.700 peak   461 spectrum    1 weight  0.10000E+01 volume  0.11570E-02 ppm1      8.001 ppm2      8.278 CV     1
 ASSI {  462}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 69   and name H   ))
      3.600     1.600     1.600 peak   462 spectrum    1 weight  0.10000E+01 volume  0.20041E-02 ppm1      8.032 ppm2      8.327 CV     1
 ASSI {  464}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 68   and name H   ))
      3.700     1.700     1.700 peak   464 spectrum    1 weight  0.10000E+01 volume  0.15427E-02 ppm1      8.326 ppm2      7.920 CV     1
 ASSI {  466}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 65   and name H   ))
      3.500     1.500     1.500 peak   466 spectrum    1 weight  0.10000E+01 volume  0.21294E-02 ppm1      8.019 ppm2      8.146 CV     1
 ASSI {  469}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 65   and name H   ))
      3.600     1.600     1.600 peak   469 spectrum    1 weight  0.10000E+01 volume  0.11357E-02 ppm1      7.724 ppm2      8.144 CV     1
 ASSI {  470}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 63   and name H   ))
      3.700     1.800     1.800 peak   470 spectrum    1 weight  0.10000E+01 volume  0.11570E-02 ppm1      7.724 ppm2      7.859 CV     1
 ASSI {  473}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 63   and name H   ))
      3.400     1.500     1.500 peak   473 spectrum    1 weight  0.10000E+01 volume  0.17272E-02 ppm1      7.650 ppm2      7.859 CV     1
 ASSI {  474}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 61   and name H   ))
      3.500     1.600     1.600 peak   474 spectrum    1 weight  0.10000E+01 volume  0.21531E-02 ppm1      7.649 ppm2      7.544 CV     1
 ASSI {  476}
   (( segid "    " and resid 61   and name H   ))
   (( segid "    " and resid 60   and name H   ))
      3.500     1.600     1.600 peak   476 spectrum    1 weight  0.10000E+01 volume  0.19638E-02 ppm1      7.550 ppm2      8.696 CV     1
 ASSI {  479}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 43   and name H   ))
      2.600     0.800     0.800 peak   479 spectrum    1 weight  0.10000E+01 volume  0.57969E-03 ppm1      9.759 ppm2      8.381 CV     1
 ASSI {  480}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 53   and name H   ))
      4.200     2.200     1.800 peak   480 spectrum    1 weight  0.10000E+01 volume  0.44956E-03 ppm1      9.756 ppm2      8.891 CV     1
 ASSI {  482}
   (( segid "    " and resid 53   and name H   ))
   (( segid "    " and resid 52   and name H   ))
      4.400     2.400     1.600 peak   482 spectrum    1 weight  0.10000E+01 volume  0.26499E-03 ppm1      8.885 ppm2      8.721 CV     1
 ASSI {  485}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 52   and name H   ))
      3.800     1.800     1.800 peak   485 spectrum    1 weight  0.10000E+01 volume  0.11949E-02 ppm1      8.534 ppm2      8.737 CV     1
 ASSI {  487}
   (( segid "    " and resid 50   and name H   ))
   (( segid "    " and resid 51   and name H   ))
      3.000     1.100     1.100 peak   487 spectrum    1 weight  0.10000E+01 volume  0.13652E-02 ppm1      7.242 ppm2      8.537 CV     1
 ASSI {  488}
   (( segid "    " and resid 50   and name H   ))
   (( segid "    " and resid 49   and name H   ))
      2.500     0.800     0.800 peak   488 spectrum    1 weight  0.10000E+01 volume  0.79146E-02 ppm1      7.241 ppm2      8.415 CV     1
 ASSI {  490}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 48   and name H   ))
      3.200     1.300     1.300 peak   490 spectrum    1 weight  0.10000E+01 volume  0.19828E-02 ppm1      8.414 ppm2      8.840 CV     1
 ASSI {  492}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 46   and name H   ))
      4.300     2.300     1.700 peak   492 spectrum    1 weight  0.10000E+01 volume  0.56076E-03 ppm1      8.734 ppm2      8.930 CV     1
 ASSI {  494}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 44   and name H   ))
      4.600     2.700     1.400 peak   494 spectrum    1 weight  0.10000E+01 volume  0.33598E-03 ppm1      9.074 ppm2      9.545 CV     1
 ASSI {  496}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 43   and name H   ))
      5.200     3.400     0.800 peak   496 spectrum    1 weight  0.10000E+01 volume  0.30523E-03 ppm1      9.538 ppm2      8.388 CV     1
 ASSI {  498}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 57   and name H   ))
      3.500     1.500     1.500 peak   498 spectrum    1 weight  0.10000E+01 volume  0.21815E-02 ppm1      8.260 ppm2     10.600 CV     1
 ASSI {  499}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 42   and name H   ))
      5.200     3.400     0.800 peak   499 spectrum    1 weight  0.10000E+01 volume  0.22715E-03 ppm1      8.369 ppm2      8.679 CV     1
 ASSI {  501}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 41   and name H   ))
      3.700     1.700     1.700 peak   501 spectrum    1 weight  0.10000E+01 volume  0.57732E-03 ppm1      8.690 ppm2      8.463 CV     1
 ASSI {  503}
   (( segid "    " and resid 40   and name H   ))
   (( segid "    " and resid 39   and name H   ))
      4.100     2.100     1.900 peak   503 spectrum    1 weight  0.10000E+01 volume  0.28156E-03 ppm1      7.009 ppm2      7.988 CV     1
 ASSI {  506}
   (( segid "    " and resid 38   and name H   ))
   (( segid "    " and resid 39   and name H   ))
      3.300     1.400     1.400 peak   506 spectrum    1 weight  0.10000E+01 volume  0.14812E-02 ppm1      8.434 ppm2      7.988 CV     1
 ASSI {  507}
   (( segid "    " and resid 37   and name H   ))
   (( segid "    " and resid 38   and name H   ))
      2.900     1.000     1.000 peak   507 spectrum    1 weight  0.10000E+01 volume  0.26547E-02 ppm1      8.504 ppm2      8.431 CV     1
 ASSI {  508}
   (( segid "    " and resid 37   and name H   ))
   (( segid "    " and resid 36   and name H   ))
      3.800     1.800     1.800 peak   508 spectrum    1 weight  0.10000E+01 volume  0.58679E-03 ppm1      8.505 ppm2      7.555 CV     1
 ASSI {  511}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 36   and name H   ))
      3.400     1.400     1.400 peak   511 spectrum    1 weight  0.10000E+01 volume  0.95825E-03 ppm1      8.008 ppm2      7.558 CV     1
 ASSI {  512}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 34   and name H   ))
      3.800     1.800     1.800 peak   512 spectrum    1 weight  0.10000E+01 volume  0.11665E-02 ppm1      8.009 ppm2      8.786 CV     1
 ASSI {  515}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 34   and name H   ))
      4.300     2.300     1.700 peak   515 spectrum    1 weight  0.10000E+01 volume  0.57258E-03 ppm1      8.449 ppm2      8.782 CV     1
 ASSI {  516}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 32   and name H   ))
      3.300     1.400     1.400 peak   516 spectrum    1 weight  0.10000E+01 volume  0.70036E-03 ppm1      8.449 ppm2      8.832 CV     1
 ASSI {  518}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 31   and name H   ))
      3.600     1.600     1.600 peak   518 spectrum    1 weight  0.10000E+01 volume  0.43063E-03 ppm1      9.025 ppm2      8.857 CV     1
 ASSI {  520}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 29   and name H   ))
      4.900     3.000     1.100 peak   520 spectrum    1 weight  0.10000E+01 volume  0.33362E-03 ppm1      9.035 ppm2      8.739 CV     1
 ASSI {  523}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 29   and name H   ))
      5.100     3.200     0.900 peak   523 spectrum    1 weight  0.10000E+01 volume  0.56076E-03 ppm1      7.523 ppm2      8.745 CV     1
 ASSI {  524}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 27   and name H   ))
      3.100     1.200     1.200 peak   524 spectrum    1 weight  0.10000E+01 volume  0.29836E-02 ppm1      7.522 ppm2      9.026 CV     1
 ASSI {  526}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 26   and name H   ))
      4.500     2.500     1.500 peak   526 spectrum    1 weight  0.10000E+01 volume  0.36674E-03 ppm1      9.030 ppm2      7.213 CV     1
 ASSI {  528}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 25   and name H   ))
      2.700     0.900     0.900 peak   528 spectrum    1 weight  0.10000E+01 volume  0.57803E-02 ppm1      7.206 ppm2      7.648 CV     1
 ASSI {  530}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 24   and name H   ))
      3.300     1.400     1.400 peak   530 spectrum    1 weight  0.10000E+01 volume  0.28582E-02 ppm1      7.647 ppm2      7.751 CV     1
 ASSI {  532}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 24   and name H   ))
      3.000     1.100     1.100 peak   532 spectrum    1 weight  0.10000E+01 volume  0.18787E-02 ppm1      7.800 ppm2      7.728 CV     1
 ASSI {  534}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 23   and name H   ))
      2.300     0.600     0.600 peak   534 spectrum    1 weight  0.10000E+01 volume  0.40412E-02 ppm1      7.230 ppm2      7.797 CV     1
 ASSI {  535}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 21   and name H   ))
      3.500     1.500     1.500 peak   535 spectrum    1 weight  0.10000E+01 volume  0.46611E-02 ppm1      7.230 ppm2      7.906 CV     1
 ASSI {  537}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 20   and name H   ))
      2.900     1.000     1.000 peak   537 spectrum    1 weight  0.10000E+01 volume  0.35964E-02 ppm1      7.904 ppm2      8.878 CV     1
 ASSI {  539}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 19   and name H   ))
      4.000     2.000     2.000 peak   539 spectrum    1 weight  0.10000E+01 volume  0.41406E-03 ppm1      8.878 ppm2      8.129 CV     1
 ASSI {  542}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 19   and name H   ))
      4.400     2.400     1.600 peak   542 spectrum    1 weight  0.10000E+01 volume  0.35964E-03 ppm1      8.449 ppm2      8.131 CV     1
 ASSI {  543}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 13   and name H   ))
      4.600     2.600     1.400 peak   543 spectrum    1 weight  0.10000E+01 volume  0.35255E-03 ppm1      8.918 ppm2      8.551 CV     1
 ASSI {  545}
   (( segid "    " and resid 13   and name H   ))
   (( segid "    " and resid 12   and name H   ))
      4.300     2.300     1.700 peak   545 spectrum    1 weight  0.10000E+01 volume  0.65304E-03 ppm1      8.556 ppm2      7.765 CV     1
 ASSI {  547}
   (( segid "    " and resid 12   and name H   ))
   (( segid "    " and resid 11   and name H   ))
      3.200     1.200     1.200 peak   547 spectrum    1 weight  0.10000E+01 volume  0.38828E-02 ppm1      7.763 ppm2      8.852 CV     1
 ASSI {  549}
   (( segid "    " and resid 10   and name H   ))
   (( segid "    " and resid 11   and name H   ))
      4.300     2.300     1.700 peak   549 spectrum    1 weight  0.10000E+01 volume  0.23424E-03 ppm1      9.587 ppm2      8.850 CV     1
 ASSI {  552}
   (( segid "    " and resid 9    and name H   ))
   (( segid "    " and resid 10   and name H   ))
      4.200     2.200     1.800 peak   552 spectrum    1 weight  0.10000E+01 volume  0.74767E-03 ppm1      8.232 ppm2      9.594 CV     1
 ASSI {  553}
   (( segid "    " and resid 7    and name H   ))
   (( segid "    " and resid 6    and name H   ))
      3.500     1.500     1.500 peak   553 spectrum    1 weight  0.10000E+01 volume  0.14954E-02 ppm1      8.182 ppm2      8.381 CV     1
 ASSI {  555}
   (( segid "    " and resid 2    and name H   ))
   (( segid "    " and resid 3    and name H   ))
      4.800     2.900     1.200 peak   555 spectrum    1 weight  0.10000E+01 volume  0.26499E-03 ppm1      8.395 ppm2      8.270 CV     1
 ASSI {  556}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 88   and name HA3 ))
      2.300     0.700     0.700 peak   556 spectrum    1 weight  0.10000E+01 volume  0.75122E-02 ppm1      7.924 ppm2      3.693 CV     1
 OR {  556}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 88   and name HA2 ))
 ASSI {  557}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 87   and name HA  ))
      2.100     0.600     0.600 peak   557 spectrum    1 weight  0.10000E+01 volume  0.71691E-02 ppm1      7.924 ppm2      4.470 CV     1
 ASSI {  558}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 87   and name HG2 ))
      3.200     1.300     1.300 peak   558 spectrum    1 weight  0.10000E+01 volume  0.30049E-03 ppm1      7.925 ppm2      2.546 CV     1
 ASSI {  559}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 87   and name HG3 ))
      6.000     4.600     0.000 peak   559 spectrum    1 weight  0.10000E+01 volume  0.27920E-03 ppm1      7.924 ppm2      2.454 CV     1
 ASSI {  560}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 87   and name HB2 ))
      4.100     2.100     1.900 peak   560 spectrum    1 weight  0.10000E+01 volume  0.13676E-02 ppm1      7.924 ppm2      2.062 CV     1
 ASSI {  561}
   (( segid "    " and resid 88   and name H   ))
   (( segid "    " and resid 87   and name HB3 ))
      4.100     2.100     1.900 peak   561 spectrum    1 weight  0.10000E+01 volume  0.97718E-03 ppm1      7.924 ppm2      1.929 CV     1
 ASSI {  562}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 87   and name HA  ))
      2.300     0.600     0.600 peak   562 spectrum    1 weight  0.10000E+01 volume  0.35728E-02 ppm1      8.375 ppm2      4.469 CV     1
 ASSI {  563}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 87   and name HG2 ))
      3.600     1.600     1.600 peak   563 spectrum    1 weight  0.10000E+01 volume  0.13297E-02 ppm1      8.376 ppm2      2.554 CV     1
 ASSI {  564}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 87   and name HG3 ))
      4.000     2.000     2.000 peak   564 spectrum    1 weight  0.10000E+01 volume  0.15829E-02 ppm1      8.375 ppm2      2.455 CV     1
 ASSI {  565}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 87   and name HB2 ))
      3.100     1.200     1.200 peak   565 spectrum    1 weight  0.10000E+01 volume  0.20490E-02 ppm1      8.375 ppm2      2.062 CV     1
 ASSI {  566}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 87   and name HB3 ))
      2.400     0.700     0.700 peak   566 spectrum    1 weight  0.10000E+01 volume  0.53662E-02 ppm1      8.376 ppm2      1.929 CV     1
 ASSI {  567}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 85   and name HB3 ))
      2.200     0.600     0.600 peak   567 spectrum    1 weight  0.10000E+01 volume  0.16657E-02 ppm1      8.375 ppm2      1.770 CV     1
 ASSI {  568}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 86   and name HA  ))
      2.400     0.700     0.700 peak   568 spectrum    1 weight  0.10000E+01 volume  0.13477E-01 ppm1      8.376 ppm2      4.241 CV     1
 ASSI {  570}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 85   and name HD2 ))
      4.300     2.300     1.700 peak   570 spectrum    1 weight  0.10000E+01 volume  0.78791E-03 ppm1      8.118 ppm2      3.099 CV     1
 OR {  570}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 85   and name HD3 ))
 ASSI {  571}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 85   and name HB2 ))
      2.800     1.000     1.000 peak   571 spectrum    1 weight  0.10000E+01 volume  0.55649E-02 ppm1      8.118 ppm2      1.673 CV     1
 ASSI {  572}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 84   and name HA  ))
      2.500     0.800     0.800 peak   572 spectrum    1 weight  0.10000E+01 volume  0.40909E-02 ppm1      8.049 ppm2      4.249 CV     1
 ASSI {  573}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 83   and name HA  ))
      2.500     0.800     0.800 peak   573 spectrum    1 weight  0.10000E+01 volume  0.71313E-02 ppm1      8.049 ppm2      4.377 CV     1
 ASSI {  574}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 83   and name HG3 ))
      3.800     1.800     1.800 peak   574 spectrum    1 weight  0.10000E+01 volume  0.40696E-03 ppm1      8.048 ppm2      2.449 CV     1
 ASSI {  575}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 83   and name HB3 ))
      4.200     2.200     1.800 peak   575 spectrum    1 weight  0.10000E+01 volume  0.16042E-02 ppm1      8.048 ppm2      2.016 CV     1
 ASSI {  576}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 83   and name HA  ))
      2.600     0.800     0.800 peak   576 spectrum    1 weight  0.10000E+01 volume  0.53023E-02 ppm1      7.983 ppm2      4.379 CV     1
 ASSI {  577}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 83   and name HG2 ))
      3.500     1.500     1.500 peak   577 spectrum    1 weight  0.10000E+01 volume  0.21911E-02 ppm1      7.984 ppm2      2.508 CV     1
 ASSI {  578}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 83   and name HG3 ))
      3.000     1.100     1.100 peak   578 spectrum    1 weight  0.10000E+01 volume  0.21698E-02 ppm1      7.983 ppm2      2.442 CV     1
 ASSI {  579}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 83   and name HB2 ))
      3.100     1.200     1.200 peak   579 spectrum    1 weight  0.10000E+01 volume  0.68024E-02 ppm1      7.984 ppm2      1.947 CV     1
 ASSI {  580}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 82   and name HA3 ))
      2.500     0.800     0.800 peak   580 spectrum    1 weight  0.10000E+01 volume  0.77086E-02 ppm1      7.983 ppm2      3.828 CV     1
 OR {  580}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 82   and name HA2 ))
 ASSI {  581}
   (( segid "    " and resid 82   and name H   ))
   (( segid "    " and resid 82   and name HA3 ))
      2.500     0.800     0.800 peak   581 spectrum    1 weight  0.10000E+01 volume  0.67811E-02 ppm1      8.415 ppm2      3.830 CV     1
 OR {  581}
   (( segid "    " and resid 82   and name H   ))
   (( segid "    " and resid 82   and name HA2 ))
 ASSI {  582}
   (( segid "    " and resid 82   and name H   ))
   (( segid "    " and resid 81   and name HA  ))
      2.800     1.000     1.000 peak   582 spectrum    1 weight  0.10000E+01 volume  0.33266E-02 ppm1      8.417 ppm2      4.425 CV     1
 ASSI {  583}
   (( segid "    " and resid 82   and name H   ))
   (( segid "    " and resid 81   and name HB2 ))
      3.500     1.500     1.500 peak   583 spectrum    1 weight  0.10000E+01 volume  0.10529E-02 ppm1      8.416 ppm2      3.081 CV     1
 ASSI {  584}
   (( segid "    " and resid 82   and name H   ))
   (( segid "    " and resid 81   and name HB3 ))
      4.300     2.300     1.700 peak   584 spectrum    1 weight  0.10000E+01 volume  0.94170E-03 ppm1      8.416 ppm2      2.892 CV     1
 ASSI {  585}
   (( segid "    " and resid 81   and name H   ))
   (( segid "    " and resid 81   and name HA  ))
      2.600     0.900     0.900 peak   585 spectrum    1 weight  0.10000E+01 volume  0.42754E-02 ppm1      8.215 ppm2      4.426 CV     1
 ASSI {  586}
   (( segid "    " and resid 81   and name H   ))
   (( segid "    " and resid 81   and name HB2 ))
      3.300     1.400     1.400 peak   586 spectrum    1 weight  0.10000E+01 volume  0.36177E-02 ppm1      8.215 ppm2      3.080 CV     1
 ASSI {  587}
   (( segid "    " and resid 81   and name H   ))
   (( segid "    " and resid 81   and name HB3 ))
      2.500     0.800     0.800 peak   587 spectrum    1 weight  0.10000E+01 volume  0.54325E-02 ppm1      8.215 ppm2      2.893 CV     1
 ASSI {  588}
   (( segid "    " and resid 81   and name H   ))
   (( segid "    " and resid 80   and name HB3 ))
      3.100     1.200     1.200 peak   588 spectrum    1 weight  0.10000E+01 volume  0.15427E-02 ppm1      8.214 ppm2      2.747 CV     1
 ASSI {  589}
   (( segid "    " and resid 81   and name H   ))
   (( segid "    " and resid 80   and name HB2 ))
      3.700     1.700     1.700 peak   589 spectrum    1 weight  0.10000E+01 volume  0.19094E-02 ppm1      8.215 ppm2      2.622 CV     1
 ASSI {  590}
   (( segid "    " and resid 81   and name H   ))
   (( segid "    " and resid 80   and name HA  ))
      2.500     0.800     0.800 peak   590 spectrum    1 weight  0.10000E+01 volume  0.11833E-01 ppm1      8.214 ppm2      4.629 CV     1
 ASSI {  591}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 80   and name HA  ))
      2.400     0.700     0.700 peak   591 spectrum    1 weight  0.10000E+01 volume  0.49072E-02 ppm1      8.251 ppm2      4.629 CV     1
 ASSI {  592}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 80   and name HB3 ))
      2.700     0.900     0.900 peak   592 spectrum    1 weight  0.10000E+01 volume  0.36296E-02 ppm1      8.251 ppm2      2.745 CV     1
 ASSI {  593}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 80   and name HB2 ))
      2.700     0.900     0.900 peak   593 spectrum    1 weight  0.10000E+01 volume  0.43228E-02 ppm1      8.251 ppm2      2.623 CV     1
 ASSI {  594}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 79   and name HB2 ))
      2.700     0.900     0.900 peak   594 spectrum    1 weight  0.10000E+01 volume  0.22667E-02 ppm1      8.251 ppm2      1.436 CV     1
 OR {  594}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 79   and name HG  ))
 ASSI {  595}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 79   and name HB3 ))
      4.100     2.100     1.900 peak   595 spectrum    1 weight  0.10000E+01 volume  0.23211E-02 ppm1      8.251 ppm2      1.249 CV     1
 ASSI {  596}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 86   and name HB2 ))
      4.200     2.200     1.800 peak   596 spectrum    1 weight  0.10000E+01 volume  0.13392E-02 ppm1      8.375 ppm2      1.700 CV     1
 ASSI {  598}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 85   and name HG3 ))
      3.300     1.400     1.400 peak   598 spectrum    1 weight  0.10000E+01 volume  0.13818E-02 ppm1      8.231 ppm2      1.532 CV     1
 OR {  598}
   (( segid "    " and resid 86   and name H   ))
   (( segid "    " and resid 85   and name HG2 ))
 ASSI {  599}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 83   and name HG2 ))
      5.100     3.300     0.900 peak   599 spectrum    1 weight  0.10000E+01 volume  0.35255E-03 ppm1      8.048 ppm2      2.511 CV     1
 ASSI {  600}
   (( segid "    " and resid 84   and name H   ))
   (( segid "    " and resid 83   and name HB2 ))
      3.000     1.200     1.200 peak   600 spectrum    1 weight  0.10000E+01 volume  0.13368E-02 ppm1      8.049 ppm2      1.953 CV     1
 ASSI {  601}
   (( segid "    " and resid 85   and name H   ))
   (( segid "    " and resid 85   and name HB3 ))
      2.300     0.700     0.700 peak   601 spectrum    1 weight  0.10000E+01 volume  0.34875E-02 ppm1      8.118 ppm2      1.746 CV     1
 ASSI {  602}
   (( segid "    " and resid 83   and name H   ))
   (( segid "    " and resid 83   and name HB3 ))
      2.700     0.900     0.900 peak   602 spectrum    1 weight  0.10000E+01 volume  0.36342E-02 ppm1      7.984 ppm2      2.019 CV     1
 ASSI {  603}
   (( segid "    " and resid 82   and name H   ))
   (  segid "    " and resid 81   and name HD% )
      4.000     2.000     2.000 peak   603 spectrum    1 weight  0.10000E+01 volume  0.39750E-03 ppm1      8.415 ppm2      7.096 CV     1
 ASSI {  604}
   (( segid "    " and resid 81   and name H   ))
   (  segid "    " and resid 81   and name HD% )
      3.200     1.300     1.300 peak   604 spectrum    1 weight  0.10000E+01 volume  0.19899E-02 ppm1      8.214 ppm2      7.099 CV     1
 ASSI {  606}
   (( segid "    " and resid 80   and name H   ))
   (  segid "    " and resid 81   and name HD% )
      5.100     3.200     0.900 peak   606 spectrum    1 weight  0.10000E+01 volume  0.26737E-03 ppm1      8.250 ppm2      7.097 CV     1
 ASSI {  607}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 80   and name HD22))
      6.000     4.600     0.000 peak   607 spectrum    1 weight  0.10000E+01 volume  0.39750E-03 ppm1      8.253 ppm2      6.844 CV     1
 ASSI {  608}
   (( segid "    " and resid 80   and name H   ))
   (( segid "    " and resid 79   and name HA  ))
      2.200     0.600     0.600 peak   608 spectrum    1 weight  0.10000E+01 volume  0.14923E-01 ppm1      8.252 ppm2      4.242 CV     1
 ASSI {  610}
   (( segid "    " and resid 79   and name H   ))
   (( segid "    " and resid 79   and name HB2 ))
      2.700     0.900     0.900 peak   610 spectrum    1 weight  0.10000E+01 volume  0.10086E-01 ppm1      8.094 ppm2      1.435 CV     1
 OR {  610}
   (( segid "    " and resid 79   and name H   ))
   (( segid "    " and resid 79   and name HG  ))
 ASSI {  611}
   (( segid "    " and resid 79   and name H   ))
   (( segid "    " and resid 79   and name HB3 ))
      2.600     0.900     0.900 peak   611 spectrum    1 weight  0.10000E+01 volume  0.28488E-02 ppm1      8.094 ppm2      1.247 CV     1
 ASSI {  613}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 78   and name HA  ))
      2.700     0.900     0.900 peak   613 spectrum    1 weight  0.10000E+01 volume  0.41335E-02 ppm1      8.207 ppm2      4.203 CV     1
 ASSI {  614}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 77   and name HD2 ))
      2.800     0.900     0.900 peak   614 spectrum    1 weight  0.10000E+01 volume  0.39277E-03 ppm1      8.209 ppm2      3.501 CV     1
 ASSI {  615}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 77   and name HB3 ))
      3.000     1.100     1.100 peak   615 spectrum    1 weight  0.10000E+01 volume  0.17178E-02 ppm1      8.207 ppm2      2.165 CV     1
 ASSI {  616}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 77   and name HG3 ))
      4.200     2.200     1.800 peak   616 spectrum    1 weight  0.10000E+01 volume  0.86835E-03 ppm1      8.207 ppm2      1.871 CV     1
 OR {  616}
   (( segid "    " and resid 78   and name H   ))
   (( segid "    " and resid 77   and name HG2 ))
 ASSI {  617}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 74   and name HA2 ))
      2.400     0.700     0.700 peak   617 spectrum    1 weight  0.10000E+01 volume  0.96180E-02 ppm1      8.009 ppm2      3.944 CV     1
 OR {  617}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 74   and name HA3 ))
 ASSI {  618}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 75   and name HB  ))
      2.900     1.000     1.000 peak   618 spectrum    1 weight  0.10000E+01 volume  0.38496E-02 ppm1      8.009 ppm2      4.127 CV     1
 ASSI {  619}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 75   and name HA  ))
      2.800     1.000     1.000 peak   619 spectrum    1 weight  0.10000E+01 volume  0.37644E-02 ppm1      8.009 ppm2      4.302 CV     1
 ASSI {  620}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 73   and name HA  ))
      2.600     0.800     0.800 peak   620 spectrum    1 weight  0.10000E+01 volume  0.57022E-03 ppm1      8.007 ppm2      4.605 CV     1
 ASSI {  621}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 73   and name HB2 ))
      2.900     1.100     1.100 peak   621 spectrum    1 weight  0.10000E+01 volume  0.26973E-03 ppm1      8.006 ppm2      3.112 CV     1
 ASSI {  622}
   (( segid "    " and resid 75   and name H   ))
   (( segid "    " and resid 73   and name HB3 ))
      2.900     1.000     1.000 peak   622 spectrum    1 weight  0.10000E+01 volume  0.29576E-03 ppm1      8.009 ppm2      3.231 CV     1
 ASSI {  623}
   (( segid "    " and resid 75   and name H   ))
   (  segid "    " and resid 75   and name HG2%)
      2.900     1.100     1.100 peak   623 spectrum    1 weight  0.10000E+01 volume  0.34639E-02 ppm1      8.009 ppm2      1.129 CV     1
 ASSI {  624}
   (( segid "    " and resid 74   and name H   ))
   (( segid "    " and resid 74   and name HA2 ))
      2.700     0.900     0.900 peak   624 spectrum    1 weight  0.10000E+01 volume  0.53686E-02 ppm1      8.309 ppm2      3.944 CV     1
 OR {  624}
   (( segid "    " and resid 74   and name H   ))
   (( segid "    " and resid 74   and name HA3 ))
 ASSI {  625}
   (( segid "    " and resid 74   and name H   ))
   (( segid "    " and resid 73   and name HA  ))
      2.800     1.000     1.000 peak   625 spectrum    1 weight  0.10000E+01 volume  0.32368E-02 ppm1      8.310 ppm2      4.605 CV     1
 ASSI {  626}
   (( segid "    " and resid 74   and name H   ))
   (( segid "    " and resid 73   and name HB3 ))
      3.900     1.900     1.900 peak   626 spectrum    1 weight  0.10000E+01 volume  0.64120E-03 ppm1      8.310 ppm2      3.229 CV     1
 ASSI {  627}
   (( segid "    " and resid 74   and name H   ))
   (( segid "    " and resid 73   and name HB2 ))
      4.200     2.200     1.800 peak   627 spectrum    1 weight  0.10000E+01 volume  0.63411E-03 ppm1      8.312 ppm2      3.117 CV     1
 ASSI {  628}
   (( segid "    " and resid 73   and name H   ))
   (( segid "    " and resid 73   and name HA  ))
      2.800     1.000     1.000 peak   628 spectrum    1 weight  0.10000E+01 volume  0.18148E-02 ppm1      8.274 ppm2      4.607 CV     1
 ASSI {  629}
   (( segid "    " and resid 73   and name H   ))
   (( segid "    " and resid 72   and name HA  ))
      3.100     1.200     1.200 peak   629 spectrum    1 weight  0.10000E+01 volume  0.22431E-02 ppm1      8.273 ppm2      4.189 CV     1
 ASSI {  631}
   (( segid "    " and resid 73   and name H   ))
   (( segid "    " and resid 73   and name HB2 ))
      3.100     1.200     1.200 peak   631 spectrum    1 weight  0.10000E+01 volume  0.13274E-02 ppm1      8.273 ppm2      3.123 CV     1
 ASSI {  632}
   (( segid "    " and resid 73   and name H   ))
   (( segid "    " and resid 72   and name HB3 ))
      4.200     2.200     1.800 peak   632 spectrum    1 weight  0.10000E+01 volume  0.60336E-03 ppm1      8.274 ppm2      1.507 CV     1
 ASSI {  634}
   (( segid "    " and resid 72   and name H   ))
   (( segid "    " and resid 72   and name HB3 ))
      2.500     0.800     0.800 peak   634 spectrum    1 weight  0.10000E+01 volume  0.32320E-02 ppm1      7.999 ppm2      1.506 CV     1
 ASSI {  637}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 70   and name HD3 ))
      4.000     2.000     2.000 peak   637 spectrum    1 weight  0.10000E+01 volume  0.29576E-03 ppm1      7.986 ppm2      3.080 CV     1
 OR {  637}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 70   and name HD2 ))
 ASSI {  638}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 70   and name HA  ))
      2.800     1.000     1.000 peak   638 spectrum    1 weight  0.10000E+01 volume  0.32132E-02 ppm1      8.032 ppm2      4.130 CV     1
 ASSI {  639}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 67   and name HA  ))
      2.700     0.900     0.900 peak   639 spectrum    1 weight  0.10000E+01 volume  0.44482E-03 ppm1      8.031 ppm2      4.464 CV     1
 ASSI {  640}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 70   and name HD3 ))
      4.500     2.500     1.500 peak   640 spectrum    1 weight  0.10000E+01 volume  0.67197E-03 ppm1      8.031 ppm2      3.070 CV     1
 OR {  640}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 70   and name HD2 ))
 ASSI {  641}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 69   and name HG3 ))
      4.300     2.300     1.700 peak   641 spectrum    1 weight  0.10000E+01 volume  0.34071E-03 ppm1      8.036 ppm2      2.231 CV     1
 ASSI {  642}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 69   and name HG2 ))
      4.800     2.900     1.200 peak   642 spectrum    1 weight  0.10000E+01 volume  0.49214E-03 ppm1      8.032 ppm2      2.145 CV     1
 ASSI {  644}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 65   and name HA  ))
      2.700     0.900     0.900 peak   644 spectrum    1 weight  0.10000E+01 volume  0.45665E-03 ppm1      8.325 ppm2      4.143 CV     1
 ASSI {  645}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 67   and name HA  ))
      2.800     1.000     1.000 peak   645 spectrum    1 weight  0.10000E+01 volume  0.32178E-03 ppm1      8.328 ppm2      4.461 CV     1
 ASSI {  646}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 67   and name HB3 ))
      2.900     1.100     1.100 peak   646 spectrum    1 weight  0.10000E+01 volume  0.27209E-03 ppm1      8.327 ppm2      3.089 CV     1
 ASSI {  647}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 69   and name HG3 ))
      3.500     1.500     1.500 peak   647 spectrum    1 weight  0.10000E+01 volume  0.89910E-03 ppm1      8.326 ppm2      2.216 CV     1
 ASSI {  648}
   (( segid "    " and resid 69   and name H   ))
   (( segid "    " and resid 69   and name HG2 ))
      4.400     2.400     1.600 peak   648 spectrum    1 weight  0.10000E+01 volume  0.81866E-03 ppm1      8.327 ppm2      2.164 CV     1
 ASSI {  649}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 67   and name HA  ))
      3.100     1.200     1.200 peak   649 spectrum    1 weight  0.10000E+01 volume  0.16846E-02 ppm1      7.918 ppm2      4.461 CV     1
 ASSI {  650}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 68   and name HA  ))
      3.000     1.100     1.100 peak   650 spectrum    1 weight  0.10000E+01 volume  0.20893E-02 ppm1      7.916 ppm2      3.998 CV     1
 ASSI {  651}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 65   and name HA  ))
      2.700     0.900     0.900 peak   651 spectrum    1 weight  0.10000E+01 volume  0.48504E-03 ppm1      7.918 ppm2      4.137 CV     1
 ASSI {  652}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 67   and name HB2 ))
      3.800     1.800     1.800 peak   652 spectrum    1 weight  0.10000E+01 volume  0.85888E-03 ppm1      7.917 ppm2      3.185 CV     1
 ASSI {  653}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 67   and name HB3 ))
      4.400     2.400     1.600 peak   653 spectrum    1 weight  0.10000E+01 volume  0.10221E-02 ppm1      7.918 ppm2      3.100 CV     1
 ASSI {  654}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 68   and name HB2 ))
      3.600     1.600     1.600 peak   654 spectrum    1 weight  0.10000E+01 volume  0.25791E-02 ppm1      7.917 ppm2      1.865 CV     1
 OR {  654}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 68   and name HG2 ))
 ASSI {  655}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 68   and name HB3 ))
      3.000     1.100     1.100 peak   655 spectrum    1 weight  0.10000E+01 volume  0.20964E-02 ppm1      7.916 ppm2      1.674 CV     1
 ASSI {  658}
   (( segid "    " and resid 67   and name H   ))
   (( segid "    " and resid 67   and name HA  ))
      3.100     1.200     1.200 peak   658 spectrum    1 weight  0.10000E+01 volume  0.14741E-02 ppm1      7.924 ppm2      4.462 CV     1
 ASSI {  659}
   (( segid "    " and resid 67   and name H   ))
   (( segid "    " and resid 66   and name HA  ))
      3.200     1.300     1.300 peak   659 spectrum    1 weight  0.10000E+01 volume  0.13983E-02 ppm1      7.926 ppm2      4.031 CV     1
 ASSI {  662}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 65   and name HB3 ))
      3.700     1.700     1.700 peak   662 spectrum    1 weight  0.10000E+01 volume  0.16823E-02 ppm1      8.019 ppm2      3.003 CV     1
 ASSI {  663}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 65   and name HB2 ))
      3.500     1.500     1.500 peak   663 spectrum    1 weight  0.10000E+01 volume  0.19236E-02 ppm1      8.019 ppm2      3.129 CV     1
 ASSI {  664}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 65   and name HA  ))
      3.100     1.200     1.200 peak   664 spectrum    1 weight  0.10000E+01 volume  0.18407E-02 ppm1      8.020 ppm2      4.132 CV     1
 ASSI {  665}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 66   and name HA  ))
      2.700     0.900     0.900 peak   665 spectrum    1 weight  0.10000E+01 volume  0.39844E-02 ppm1      8.019 ppm2      4.038 CV     1
 ASSI {  666}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 64   and name HA  ))
      2.800     1.000     1.000 peak   666 spectrum    1 weight  0.10000E+01 volume  0.38093E-03 ppm1      8.021 ppm2      4.274 CV     1
 ASSI {  667}
   (( segid "    " and resid 65   and name H   ))
   (( segid "    " and resid 65   and name HA  ))
      3.200     1.300     1.300 peak   667 spectrum    1 weight  0.10000E+01 volume  0.14906E-02 ppm1      8.142 ppm2      4.135 CV     1
 ASSI {  668}
   (( segid "    " and resid 65   and name H   ))
   (  segid "    " and resid 65   and name HD% )
      4.400     2.400     1.600 peak   668 spectrum    1 weight  0.10000E+01 volume  0.68143E-03 ppm1      8.138 ppm2      7.172 CV     1
 ASSI {  670}
   (( segid "    " and resid 66   and name H   ))
   (  segid "    " and resid 65   and name HD% )
      3.700     1.700     1.700 peak   670 spectrum    1 weight  0.10000E+01 volume  0.68380E-03 ppm1      8.020 ppm2      7.167 CV     1
 ASSI {  671}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 68   and name HE22))
      6.000     4.600     0.000 peak   671 spectrum    1 weight  0.10000E+01 volume  0.17983E-03 ppm1      7.915 ppm2      6.784 CV     1
 ASSI {  672}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 64   and name HB2 ))
      3.500     1.600     1.600 peak   672 spectrum    1 weight  0.10000E+01 volume  0.17272E-02 ppm1      7.725 ppm2      3.127 CV     1
 ASSI {  673}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 64   and name HB3 ))
      2.800     1.000     1.000 peak   673 spectrum    1 weight  0.10000E+01 volume  0.20041E-02 ppm1      7.724 ppm2      3.027 CV     1
 ASSI {  674}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 64   and name HA  ))
      3.000     1.100     1.100 peak   674 spectrum    1 weight  0.10000E+01 volume  0.11807E-02 ppm1      7.723 ppm2      4.271 CV     1
 ASSI {  677}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 63   and name HG2 ))
      3.300     1.300     1.300 peak   677 spectrum    1 weight  0.10000E+01 volume  0.34545E-03 ppm1      7.725 ppm2      2.237 CV     1
 OR {  677}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 63   and name HG3 ))
 ASSI {  678}
   (( segid "    " and resid 63   and name H   ))
   (( segid "    " and resid 60   and name HA  ))
      2.700     0.900     0.900 peak   678 spectrum    1 weight  0.10000E+01 volume  0.44718E-03 ppm1      7.857 ppm2      4.361 CV     1
 ASSI {  679}
   (( segid "    " and resid 63   and name H   ))
   (( segid "    " and resid 62   and name HB3 ))
      4.400     2.400     1.600 peak   679 spectrum    1 weight  0.10000E+01 volume  0.13037E-02 ppm1      7.859 ppm2      3.933 CV     1
 OR {  679}
   (( segid "    " and resid 63   and name H   ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI {  682}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 62   and name HA  ))
      2.700     0.900     0.900 peak   682 spectrum    1 weight  0.10000E+01 volume  0.25908E-02 ppm1      7.650 ppm2      4.115 CV     1
 ASSI {  683}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 59   and name HA  ))
      2.400     0.700     0.700 peak   683 spectrum    1 weight  0.10000E+01 volume  0.84232E-03 ppm1      7.650 ppm2      4.410 CV     1
 ASSI {  684}
   (( segid "    " and resid 62   and name H   ))
   (  segid "    " and resid 61   and name HD1%)
      3.500     1.600     1.600 peak   684 spectrum    1 weight  0.10000E+01 volume  0.40696E-03 ppm1      7.650 ppm2      0.473 CV     1
 ASSI {  685}
   (( segid "    " and resid 62   and name H   ))
   (  segid "    " and resid 61   and name HD2%)
      3.200     1.300     1.300 peak   685 spectrum    1 weight  0.10000E+01 volume  0.41643E-03 ppm1      7.651 ppm2      0.357 CV     1
 ASSI {  686}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 61   and name HB3 ))
      3.500     1.500     1.500 peak   686 spectrum    1 weight  0.10000E+01 volume  0.14386E-02 ppm1      7.651 ppm2      1.528 CV     1
 ASSI {  687}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 61   and name HB2 ))
      4.400     2.500     1.600 peak   687 spectrum    1 weight  0.10000E+01 volume  0.11381E-02 ppm1      7.650 ppm2      1.377 CV     1
 ASSI {  688}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 61   and name HG  ))
      4.800     2.900     1.200 peak   688 spectrum    1 weight  0.10000E+01 volume  0.64358E-03 ppm1      7.651 ppm2      1.230 CV     1
 ASSI {  689}
   (( segid "    " and resid 61   and name H   ))
   (( segid "    " and resid 60   and name HA  ))
      3.600     1.600     1.600 peak   689 spectrum    1 weight  0.10000E+01 volume  0.98428E-03 ppm1      7.551 ppm2      4.363 CV     1
 ASSI {  690}
   (( segid "    " and resid 61   and name H   ))
   (( segid "    " and resid 61   and name HA  ))
      3.000     1.100     1.100 peak   690 spectrum    1 weight  0.10000E+01 volume  0.16089E-02 ppm1      7.550 ppm2      4.013 CV     1
 ASSI {  691}
   (( segid "    " and resid 61   and name H   ))
   (( segid "    " and resid 60   and name HB3 ))
      4.900     3.000     1.100 peak   691 spectrum    1 weight  0.10000E+01 volume  0.95353E-03 ppm1      7.550 ppm2      3.918 CV     1
 ASSI {  692}
   (( segid "    " and resid 61   and name H   ))
   (( segid "    " and resid 60   and name HB2 ))
      3.700     1.700     1.700 peak   692 spectrum    1 weight  0.10000E+01 volume  0.97482E-03 ppm1      7.550 ppm2      3.650 CV     1
 ASSI {  693}
   (( segid "    " and resid 61   and name H   ))
   (( segid "    " and resid 58   and name HB2 ))
      2.700     0.900     0.900 peak   693 spectrum    1 weight  0.10000E+01 volume  0.46375E-03 ppm1      7.554 ppm2      2.811 CV     1
 ASSI {  694}
   (( segid "    " and resid 61   and name H   ))
   (( segid "    " and resid 61   and name HB3 ))
      3.100     1.200     1.200 peak   694 spectrum    1 weight  0.10000E+01 volume  0.19450E-02 ppm1      7.551 ppm2      1.526 CV     1
 ASSI {  695}
   (( segid "    " and resid 61   and name H   ))
   (( segid "    " and resid 61   and name HB2 ))
      2.900     1.100     1.100 peak   695 spectrum    1 weight  0.10000E+01 volume  0.23992E-02 ppm1      7.549 ppm2      1.374 CV     1
 ASSI {  697}
   (( segid "    " and resid 61   and name H   ))
   (  segid "    " and resid 61   and name HD1%)
      4.500     2.500     1.500 peak   697 spectrum    1 weight  0.10000E+01 volume  0.80920E-03 ppm1      7.551 ppm2      0.468 CV     1
 ASSI {  698}
   (( segid "    " and resid 61   and name H   ))
   (  segid "    " and resid 61   and name HD2%)
      4.500     2.500     1.500 peak   698 spectrum    1 weight  0.10000E+01 volume  0.88254E-03 ppm1      7.550 ppm2      0.357 CV     1
 ASSI {  699}
   (( segid "    " and resid 61   and name H   ))
   (( segid "    " and resid 58   and name HB3 ))
      2.700     0.900     0.900 peak   699 spectrum    1 weight  0.10000E+01 volume  0.43299E-03 ppm1      7.552 ppm2      3.048 CV     1
 ASSI {  700}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 58   and name HA  ))
      2.900     1.100     1.100 peak   700 spectrum    1 weight  0.10000E+01 volume  0.26027E-03 ppm1      8.699 ppm2      4.726 CV     1
 ASSI {  701}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 60   and name HA  ))
      3.200     1.300     1.300 peak   701 spectrum    1 weight  0.10000E+01 volume  0.14764E-02 ppm1      8.697 ppm2      4.358 CV     1
 ASSI {  702}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 59   and name HD3 ))
      2.600     0.900     0.900 peak   702 spectrum    1 weight  0.10000E+01 volume  0.50397E-03 ppm1      8.697 ppm2      4.038 CV     1
 ASSI {  703}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 60   and name HB3 ))
      3.300     1.300     1.300 peak   703 spectrum    1 weight  0.10000E+01 volume  0.11310E-02 ppm1      8.696 ppm2      3.911 CV     1
 ASSI {  704}
   (( segid "    " and resid 60   and name H   ))
   (( segid "    " and resid 59   and name HB3 ))
      5.700     4.000     0.300 peak   704 spectrum    1 weight  0.10000E+01 volume  0.34071E-03 ppm1      8.695 ppm2      2.388 CV     1
 ASSI {  705}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 58   and name HA  ))
      3.000     1.200     1.200 peak   705 spectrum    1 weight  0.10000E+01 volume  0.19331E-02 ppm1      8.258 ppm2      4.695 CV     1
 ASSI {  706}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 57   and name HA  ))
      3.100     1.200     1.200 peak   706 spectrum    1 weight  0.10000E+01 volume  0.20371E-02 ppm1      8.260 ppm2      4.496 CV     1
 ASSI {  707}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 58   and name HB3 ))
      3.100     1.200     1.200 peak   707 spectrum    1 weight  0.10000E+01 volume  0.40011E-02 ppm1      8.258 ppm2      3.052 CV     1
 ASSI {  708}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 58   and name HB2 ))
      2.600     0.900     0.900 peak   708 spectrum    1 weight  0.10000E+01 volume  0.41998E-02 ppm1      8.259 ppm2      2.810 CV     1
 ASSI {  709}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 57   and name HG2 ))
      3.900     1.900     1.900 peak   709 spectrum    1 weight  0.10000E+01 volume  0.15237E-02 ppm1      8.259 ppm2      2.388 CV     1
 OR {  709}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 57   and name HB2 ))
 OR {  709}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 57   and name HG3 ))
 ASSI {  710}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 57   and name HB3 ))
      3.300     1.300     1.300 peak   710 spectrum    1 weight  0.10000E+01 volume  0.88728E-03 ppm1      8.258 ppm2      1.968 CV     1
 ASSI {  711}
   (( segid "    " and resid 58   and name H   ))
   (  segid "    " and resid 54   and name HG2%)
      2.200     0.600     0.600 peak   711 spectrum    1 weight  0.10000E+01 volume  0.17249E-02 ppm1      8.259 ppm2      1.226 CV     1
 ASSI {  712}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 58   and name HD22))
      4.900     3.000     1.100 peak   712 spectrum    1 weight  0.10000E+01 volume  0.64120E-03 ppm1      8.259 ppm2      7.110 CV     1
 ASSI {  713}
   (( segid "    " and resid 58   and name H   ))
   (( segid "    " and resid 58   and name HD21))
      5.100     3.200     0.900 peak   713 spectrum    1 weight  0.10000E+01 volume  0.47795E-03 ppm1      8.259 ppm2      7.371 CV     1
 ASSI {  715}
   (( segid "    " and resid 57   and name H   ))
   (( segid "    " and resid 55   and name HE1 ))
      2.800     1.000     1.000 peak   715 spectrum    1 weight  0.10000E+01 volume  0.36438E-03 ppm1     10.597 ppm2      7.767 CV     1
 ASSI {  718}
   (( segid "    " and resid 57   and name H   ))
   (( segid "    " and resid 57   and name HB2 ))
      3.600     1.600     1.600 peak   718 spectrum    1 weight  0.10000E+01 volume  0.93932E-03 ppm1     10.600 ppm2      2.387 CV     1
 OR {  718}
   (( segid "    " and resid 57   and name H   ))
   (( segid "    " and resid 57   and name HG3 ))
 OR {  718}
   (( segid "    " and resid 57   and name H   ))
   (( segid "    " and resid 57   and name HG2 ))
 ASSI {  719}
   (( segid "    " and resid 57   and name H   ))
   (( segid "    " and resid 56   and name HA  ))
      4.500     2.500     1.500 peak   719 spectrum    1 weight  0.10000E+01 volume  0.28866E-03 ppm1     10.598 ppm2      4.337 CV     1
 ASSI {  720}
   (( segid "    " and resid 55   and name H   ))
   (( segid "    " and resid 54   and name HA  ))
      4.000     2.000     2.000 peak   720 spectrum    1 weight  0.10000E+01 volume  0.53236E-03 ppm1      8.398 ppm2      4.798 CV     1
 ASSI {  721}
   (( segid "    " and resid 55   and name H   ))
   (( segid "    " and resid 55   and name HA  ))
      3.600     1.600     1.600 peak   721 spectrum    1 weight  0.10000E+01 volume  0.47795E-03 ppm1      8.397 ppm2      4.348 CV     1
 ASSI {  722}
   (( segid "    " and resid 55   and name H   ))
   (( segid "    " and resid 55   and name HB3 ))
      4.200     2.200     1.800 peak   722 spectrum    1 weight  0.10000E+01 volume  0.37621E-03 ppm1      8.395 ppm2      2.715 CV     1
 ASSI {  723}
   (( segid "    " and resid 55   and name H   ))
   (( segid "    " and resid 55   and name HB2 ))
      4.500     2.600     1.500 peak   723 spectrum    1 weight  0.10000E+01 volume  0.37621E-03 ppm1      8.398 ppm2      2.848 CV     1
 ASSI {  725}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 53   and name HA  ))
      2.800     1.000     1.000 peak   725 spectrum    1 weight  0.10000E+01 volume  0.30878E-02 ppm1      9.758 ppm2      5.085 CV     1
 ASSI {  726}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 54   and name HA  ))
      3.600     1.700     1.700 peak   726 spectrum    1 weight  0.10000E+01 volume  0.60808E-03 ppm1      9.757 ppm2      4.797 CV     1
 ASSI {  727}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 44   and name HA  ))
      2.500     0.800     0.800 peak   727 spectrum    1 weight  0.10000E+01 volume  0.74295E-03 ppm1      9.757 ppm2      4.504 CV     1
 ASSI {  728}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 53   and name HB3 ))
      5.000     3.100     1.000 peak   728 spectrum    1 weight  0.10000E+01 volume  0.38803E-03 ppm1      9.755 ppm2      3.628 CV     1
 ASSI {  729}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 53   and name HB2 ))
      4.200     2.300     1.800 peak   729 spectrum    1 weight  0.10000E+01 volume  0.89438E-03 ppm1      9.757 ppm2      2.635 CV     1
 ASSI {  730}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 54   and name HB  ))
      3.200     1.300     1.300 peak   730 spectrum    1 weight  0.10000E+01 volume  0.14149E-02 ppm1      9.758 ppm2      2.218 CV     1
 ASSI {  731}
   (( segid "    " and resid 54   and name H   ))
   (  segid "    " and resid 54   and name HD1%)
      4.200     2.200     1.800 peak   731 spectrum    1 weight  0.10000E+01 volume  0.10718E-02 ppm1      9.758 ppm2      0.781 CV     1
 ASSI {  732}
   (( segid "    " and resid 53   and name H   ))
   (( segid "    " and resid 52   and name HA  ))
      2.500     0.800     0.800 peak   732 spectrum    1 weight  0.10000E+01 volume  0.41264E-02 ppm1      8.886 ppm2      4.447 CV     1
 ASSI {  734}
   (( segid "    " and resid 53   and name H   ))
   (( segid "    " and resid 52   and name HB  ))
      4.100     2.100     1.900 peak   734 spectrum    1 weight  0.10000E+01 volume  0.83523E-03 ppm1      8.886 ppm2      1.491 CV     1
 ASSI {  736}
   (( segid "    " and resid 53   and name H   ))
   (( segid "    " and resid 52   and name HG12))
      2.600     0.900     0.900 peak   736 spectrum    1 weight  0.10000E+01 volume  0.50871E-03 ppm1      8.887 ppm2      1.252 CV     1
 ASSI {  737}
   (( segid "    " and resid 53   and name H   ))
   (( segid "    " and resid 53   and name HA  ))
      3.500     1.500     1.500 peak   737 spectrum    1 weight  0.10000E+01 volume  0.71691E-03 ppm1      8.887 ppm2      5.087 CV     1
 ASSI {  738}
   (( segid "    " and resid 53   and name H   ))
   (( segid "    " and resid 53   and name HB2 ))
      3.800     1.800     1.800 peak   738 spectrum    1 weight  0.10000E+01 volume  0.12895E-02 ppm1      8.885 ppm2      2.652 CV     1
 ASSI {  739}
   (( segid "    " and resid 52   and name H   ))
   (( segid "    " and resid 45   and name H   ))
      3.800     1.800     1.800 peak   739 spectrum    1 weight  0.10000E+01 volume  0.10837E-02 ppm1      8.726 ppm2      9.074 CV     1
 ASSI {  740}
   (( segid "    " and resid 52   and name H   ))
   (( segid "    " and resid 51   and name HA  ))
      3.000     1.100     1.100 peak   740 spectrum    1 weight  0.10000E+01 volume  0.43772E-02 ppm1      8.726 ppm2      5.418 CV     1
 ASSI {  741}
   (( segid "    " and resid 52   and name H   ))
   (( segid "    " and resid 46   and name HA  ))
      2.400     0.700     0.700 peak   741 spectrum    1 weight  0.10000E+01 volume  0.82813E-03 ppm1      8.726 ppm2      4.806 CV     1
 ASSI {  742}
   (( segid "    " and resid 52   and name H   ))
   (( segid "    " and resid 52   and name HA  ))
      3.000     1.200     1.200 peak   742 spectrum    1 weight  0.10000E+01 volume  0.13818E-02 ppm1      8.725 ppm2      4.455 CV     1
 ASSI {  743}
   (( segid "    " and resid 52   and name H   ))
   (( segid "    " and resid 52   and name HB  ))
      3.000     1.200     1.200 peak   743 spectrum    1 weight  0.10000E+01 volume  0.16965E-02 ppm1      8.726 ppm2      1.497 CV     1
 ASSI {  744}
   (( segid "    " and resid 52   and name H   ))
   (( segid "    " and resid 52   and name HG12))
      2.800     1.000     1.000 peak   744 spectrum    1 weight  0.10000E+01 volume  0.15782E-02 ppm1      8.724 ppm2      1.259 CV     1
 ASSI {  746}
   (( segid "    " and resid 52   and name H   ))
   (  segid "    " and resid 52   and name HG2%)
      4.000     2.000     2.000 peak   746 spectrum    1 weight  0.10000E+01 volume  0.14575E-02 ppm1      8.726 ppm2      0.656 CV     1
 ASSI {  747}
   (( segid "    " and resid 52   and name H   ))
   (  segid "    " and resid 44   and name HG1%)
      2.300     0.700     0.700 peak   747 spectrum    1 weight  0.10000E+01 volume  0.10671E-02 ppm1      8.725 ppm2      0.423 CV     1
 ASSI {  748}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 51   and name HA  ))
      2.900     1.100     1.100 peak   748 spectrum    1 weight  0.10000E+01 volume  0.23139E-02 ppm1      8.533 ppm2      5.418 CV     1
 ASSI {  749}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 50   and name HA  ))
      2.100     0.600     0.600 peak   749 spectrum    1 weight  0.10000E+01 volume  0.11359E-01 ppm1      8.532 ppm2      4.630 CV     1
 ASSI {  750}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 50   and name HG2 ))
      2.200     0.600     0.600 peak   750 spectrum    1 weight  0.10000E+01 volume  0.13416E-02 ppm1      8.533 ppm2      1.474 CV     1
 ASSI {  751}
   (( segid "    " and resid 51   and name H   ))
   (( segid "    " and resid 50   and name HG3 ))
      2.200     0.600     0.600 peak   751 spectrum    1 weight  0.10000E+01 volume  0.14764E-02 ppm1      8.534 ppm2      1.247 CV     1
 ASSI {  752}
   (( segid "    " and resid 50   and name H   ))
   (( segid "    " and resid 48   and name H   ))
      3.900     1.900     1.900 peak   752 spectrum    1 weight  0.10000E+01 volume  0.12446E-02 ppm1      7.241 ppm2      8.843 CV     1
 ASSI {  753}
   (( segid "    " and resid 50   and name H   ))
   (( segid "    " and resid 47   and name H   ))
      2.100     0.600     0.600 peak   753 spectrum    1 weight  0.10000E+01 volume  0.17533E-02 ppm1      7.241 ppm2      8.730 CV     1
 ASSI {  754}
   (( segid "    " and resid 50   and name H   ))
   (( segid "    " and resid 50   and name HA  ))
      2.400     0.700     0.700 peak   754 spectrum    1 weight  0.10000E+01 volume  0.50280E-02 ppm1      7.242 ppm2      4.630 CV     1
 ASSI {  755}
   (( segid "    " and resid 50   and name H   ))
   (( segid "    " and resid 49   and name HA  ))
      2.600     0.800     0.800 peak   755 spectrum    1 weight  0.10000E+01 volume  0.34804E-02 ppm1      7.241 ppm2      4.453 CV     1
 ASSI {  756}
   (( segid "    " and resid 50   and name H   ))
   (( segid "    " and resid 48   and name HA  ))
      4.200     2.200     1.800 peak   756 spectrum    1 weight  0.10000E+01 volume  0.10766E-02 ppm1      7.242 ppm2      3.990 CV     1
 ASSI {  757}
   (( segid "    " and resid 50   and name H   ))
   (( segid "    " and resid 47   and name HB3 ))
      1.800     0.400     0.400 peak   757 spectrum    1 weight  0.10000E+01 volume  0.45309E-02 ppm1      7.242 ppm2      1.888 CV     1
 ASSI {  758}
   (( segid "    " and resid 50   and name H   ))
   (( segid "    " and resid 47   and name HB2 ))
      1.900     0.500     0.500 peak   758 spectrum    1 weight  0.10000E+01 volume  0.35918E-02 ppm1      7.241 ppm2      1.719 CV     1
 ASSI {  759}
   (( segid "    " and resid 50   and name H   ))
   (( segid "    " and resid 50   and name HG2 ))
      2.900     1.100     1.100 peak   759 spectrum    1 weight  0.10000E+01 volume  0.32982E-02 ppm1      7.241 ppm2      1.458 CV     1
 ASSI {  760}
   (( segid "    " and resid 50   and name H   ))
   (( segid "    " and resid 50   and name HG3 ))
      4.000     2.000     2.000 peak   760 spectrum    1 weight  0.10000E+01 volume  0.16492E-02 ppm1      7.242 ppm2      1.245 CV     1
 ASSI {  761}
   (( segid "    " and resid 50   and name H   ))
   (( segid "    " and resid 50   and name HB2 ))
      2.400     0.700     0.700 peak   761 spectrum    1 weight  0.10000E+01 volume  0.29221E-02 ppm1      7.241 ppm2      1.826 CV     1
 ASSI {  762}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 49   and name HA  ))
      2.400     0.700     0.700 peak   762 spectrum    1 weight  0.10000E+01 volume  0.45144E-02 ppm1      8.414 ppm2      4.454 CV     1
 ASSI {  763}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 48   and name HA  ))
      2.500     0.800     0.800 peak   763 spectrum    1 weight  0.10000E+01 volume  0.31894E-02 ppm1      8.414 ppm2      3.990 CV     1
 ASSI {  764}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 49   and name HB3 ))
      2.600     0.900     0.900 peak   764 spectrum    1 weight  0.10000E+01 volume  0.41477E-02 ppm1      8.414 ppm2      1.914 CV     1
 ASSI {  765}
   (( segid "    " and resid 49   and name H   ))
   (  segid "    " and resid 48   and name HB% )
      3.200     1.300     1.300 peak   765 spectrum    1 weight  0.10000E+01 volume  0.53710E-02 ppm1      8.414 ppm2      1.420 CV     1
 ASSI {  767}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 47   and name HA  ))
      2.300     0.700     0.700 peak   767 spectrum    1 weight  0.10000E+01 volume  0.49120E-02 ppm1      8.839 ppm2      4.822 CV     1
 ASSI {  768}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 48   and name HA  ))
      2.200     0.600     0.600 peak   768 spectrum    1 weight  0.10000E+01 volume  0.46375E-02 ppm1      8.840 ppm2      3.990 CV     1
 ASSI {  769}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 47   and name HB3 ))
      3.100     1.200     1.200 peak   769 spectrum    1 weight  0.10000E+01 volume  0.51841E-02 ppm1      8.840 ppm2      1.889 CV     1
 ASSI {  770}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 47   and name HB2 ))
      3.400     1.500     1.500 peak   770 spectrum    1 weight  0.10000E+01 volume  0.30688E-02 ppm1      8.839 ppm2      1.715 CV     1
 ASSI {  771}
   (( segid "    " and resid 48   and name H   ))
   (( segid "    " and resid 47   and name HG  ))
      2.600     0.800     0.800 peak   771 spectrum    1 weight  0.10000E+01 volume  0.10837E-02 ppm1      8.839 ppm2      1.532 CV     1
 ASSI {  772}
   (( segid "    " and resid 48   and name H   ))
   (  segid "    " and resid 48   and name HB% )
      2.500     0.800     0.800 peak   772 spectrum    1 weight  0.10000E+01 volume  0.96417E-02 ppm1      8.840 ppm2      1.419 CV     1
 ASSI {  776}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 46   and name HB2 ))
      4.000     2.000     2.000 peak   776 spectrum    1 weight  0.10000E+01 volume  0.90857E-03 ppm1      8.733 ppm2      3.180 CV     1
 ASSI {  777}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 46   and name HB3 ))
      3.300     1.400     1.400 peak   777 spectrum    1 weight  0.10000E+01 volume  0.13321E-02 ppm1      8.733 ppm2      3.050 CV     1
 ASSI {  778}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 47   and name HB3 ))
      2.800     1.000     1.000 peak   778 spectrum    1 weight  0.10000E+01 volume  0.17367E-02 ppm1      8.733 ppm2      1.885 CV     1
 ASSI {  779}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 47   and name HB2 ))
      3.300     1.300     1.300 peak   779 spectrum    1 weight  0.10000E+01 volume  0.21413E-02 ppm1      8.734 ppm2      1.718 CV     1
 ASSI {  780}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 47   and name HG  ))
      3.800     1.800     1.800 peak   780 spectrum    1 weight  0.10000E+01 volume  0.16515E-02 ppm1      8.733 ppm2      1.516 CV     1
 ASSI {  781}
   (( segid "    " and resid 47   and name H   ))
   (  segid "    " and resid 47   and name HD2%)
      3.700     1.700     1.700 peak   781 spectrum    1 weight  0.10000E+01 volume  0.29836E-02 ppm1      8.734 ppm2      0.688 CV     1
 OR {  781}
   (( segid "    " and resid 47   and name H   ))
   (  segid "    " and resid 47   and name HD1%)
 ASSI {  782}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 28   and name H   ))
      2.400     0.700     0.700 peak   782 spectrum    1 weight  0.10000E+01 volume  0.90146E-03 ppm1      8.918 ppm2      7.521 CV     1
 ASSI {  783}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 29   and name HA  ))
      2.400     0.700     0.700 peak   783 spectrum    1 weight  0.10000E+01 volume  0.79737E-03 ppm1      8.916 ppm2      4.910 CV     1
 ASSI {  784}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 46   and name HA  ))
      2.900     1.000     1.000 peak   784 spectrum    1 weight  0.10000E+01 volume  0.13629E-02 ppm1      8.917 ppm2      4.804 CV     1
 ASSI {  785}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 45   and name HA  ))
      2.800     1.000     1.000 peak   785 spectrum    1 weight  0.10000E+01 volume  0.51746E-02 ppm1      8.917 ppm2      4.563 CV     1
 ASSI {  786}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 46   and name HB2 ))
      2.500     0.800     0.800 peak   786 spectrum    1 weight  0.10000E+01 volume  0.21815E-02 ppm1      8.919 ppm2      3.183 CV     1
 ASSI {  787}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 46   and name HB3 ))
      3.000     1.100     1.100 peak   787 spectrum    1 weight  0.10000E+01 volume  0.17887E-02 ppm1      8.919 ppm2      3.054 CV     1
 ASSI {  788}
   (( segid "    " and resid 46   and name H   ))
   (( segid "    " and resid 45   and name HB2 ))
      2.200     0.600     0.600 peak   788 spectrum    1 weight  0.10000E+01 volume  0.92514E-03 ppm1      8.917 ppm2      1.282 CV     1
 ASSI {  789}
   (( segid "    " and resid 46   and name H   ))
   (  segid "    " and resid 26   and name HG2%)
      2.100     0.600     0.600 peak   789 spectrum    1 weight  0.10000E+01 volume  0.18858E-02 ppm1      8.918 ppm2      0.687 CV     1
 ASSI {  790}
   (( segid "    " and resid 46   and name H   ))
   (  segid "    " and resid 44   and name HG1%)
      2.800     1.000     1.000 peak   790 spectrum    1 weight  0.10000E+01 volume  0.33362E-03 ppm1      8.920 ppm2      0.407 CV     1
 ASSI {  793}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 53   and name HA  ))
      4.200     2.200     1.800 peak   793 spectrum    1 weight  0.10000E+01 volume  0.68852E-03 ppm1      9.077 ppm2      5.092 CV     1
 ASSI {  794}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 44   and name HB  ))
      4.800     2.900     1.200 peak   794 spectrum    1 weight  0.10000E+01 volume  0.57496E-03 ppm1      9.078 ppm2      1.948 CV     1
 ASSI {  795}
   (( segid "    " and resid 45   and name H   ))
   (( segid "    " and resid 45   and name HB2 ))
      3.500     1.500     1.500 peak   795 spectrum    1 weight  0.10000E+01 volume  0.15450E-02 ppm1      9.075 ppm2      1.274 CV     1
 ASSI {  797}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 31   and name H   ))
      2.800     1.000     1.000 peak   797 spectrum    1 weight  0.10000E+01 volume  0.38331E-03 ppm1      9.536 ppm2      8.860 CV     1
 ASSI {  798}
   (( segid "    " and resid 44   and name H   ))
   (  segid "    " and resid 43   and name HD% )
      3.800     1.800     1.800 peak   798 spectrum    1 weight  0.10000E+01 volume  0.68143E-03 ppm1      9.539 ppm2      6.880 CV     1
 ASSI {  799}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 43   and name HA  ))
      2.500     0.800     0.800 peak   799 spectrum    1 weight  0.10000E+01 volume  0.44317E-02 ppm1      9.538 ppm2      5.118 CV     1
 ASSI {  800}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 43   and name HB3 ))
      4.000     2.000     2.000 peak   800 spectrum    1 weight  0.10000E+01 volume  0.15853E-02 ppm1      9.539 ppm2      2.601 CV     1
 OR {  800}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 43   and name HB2 ))
 ASSI {  801}
   (( segid "    " and resid 44   and name H   ))
   (( segid "    " and resid 44   and name HB  ))
      3.200     1.300     1.300 peak   801 spectrum    1 weight  0.10000E+01 volume  0.21744E-02 ppm1      9.538 ppm2      1.952 CV     1
 ASSI {  803}
   (( segid "    " and resid 44   and name H   ))
   (  segid "    " and resid 44   and name HG1%)
      3.400     1.400     1.400 peak   803 spectrum    1 weight  0.10000E+01 volume  0.10624E-02 ppm1      9.537 ppm2      0.403 CV     1
 ASSI {  805}
   (( segid "    " and resid 43   and name H   ))
   (  segid "    " and resid 43   and name HD% )
      4.500     2.600     1.500 peak   805 spectrum    1 weight  0.10000E+01 volume  0.61044E-03 ppm1      8.382 ppm2      6.880 CV     1
 ASSI {  806}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 43   and name HA  ))
      3.300     1.400     1.400 peak   806 spectrum    1 weight  0.10000E+01 volume  0.83049E-03 ppm1      8.383 ppm2      5.116 CV     1
 ASSI {  807}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 43   and name HB2 ))
      3.300     1.400     1.400 peak   807 spectrum    1 weight  0.10000E+01 volume  0.16231E-02 ppm1      8.378 ppm2      2.602 CV     1
 OR {  807}
   (( segid "    " and resid 43   and name H   ))
   (( segid "    " and resid 43   and name HB3 ))
 ASSI {  810}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 32   and name H   ))
      2.300     0.700     0.700 peak   810 spectrum    1 weight  0.10000E+01 volume  0.10529E-02 ppm1      8.689 ppm2      8.821 CV     1
 ASSI {  811}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 41   and name HA  ))
      2.500     0.800     0.800 peak   811 spectrum    1 weight  0.10000E+01 volume  0.54112E-02 ppm1      8.689 ppm2      4.633 CV     1
 ASSI {  812}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 42   and name HA  ))
      3.100     1.200     1.200 peak   812 spectrum    1 weight  0.10000E+01 volume  0.17201E-02 ppm1      8.689 ppm2      4.366 CV     1
 ASSI {  813}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 41   and name HG2 ))
      3.800     1.800     1.800 peak   813 spectrum    1 weight  0.10000E+01 volume  0.16160E-02 ppm1      8.688 ppm2      2.291 CV     1
 ASSI {  814}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 41   and name HG3 ))
      2.000     0.500     0.500 peak   814 spectrum    1 weight  0.10000E+01 volume  0.24370E-02 ppm1      8.689 ppm2      1.875 CV     1
 ASSI {  815}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 41   and name HB3 ))
      3.600     1.600     1.600 peak   815 spectrum    1 weight  0.10000E+01 volume  0.20300E-02 ppm1      8.689 ppm2      1.778 CV     1
 OR {  815}
   (( segid "    " and resid 42   and name H   ))
   (( segid "    " and resid 41   and name HB2 ))
 ASSI {  817}
   (( segid "    " and resid 41   and name H   ))
   (( segid "    " and resid 41   and name HA  ))
      3.400     1.400     1.400 peak   817 spectrum    1 weight  0.10000E+01 volume  0.64594E-03 ppm1      8.472 ppm2      4.633 CV     1
 ASSI {  818}
   (( segid "    " and resid 41   and name H   ))
   (( segid "    " and resid 40   and name HA  ))
      2.600     0.800     0.800 peak   818 spectrum    1 weight  0.10000E+01 volume  0.27423E-02 ppm1      8.471 ppm2      4.411 CV     1
 ASSI {  819}
   (( segid "    " and resid 41   and name H   ))
   (( segid "    " and resid 41   and name HG2 ))
      5.300     3.500     0.700 peak   819 spectrum    1 weight  0.10000E+01 volume  0.39750E-03 ppm1      8.471 ppm2      2.287 CV     1
 ASSI {  821}
   (( segid "    " and resid 40   and name H   ))
   (( segid "    " and resid 39   and name HA  ))
      3.600     1.700     1.700 peak   821 spectrum    1 weight  0.10000E+01 volume  0.47085E-03 ppm1      7.010 ppm2      4.627 CV     1
 ASSI {  822}
   (( segid "    " and resid 40   and name H   ))
   (( segid "    " and resid 40   and name HA  ))
      3.800     1.800     1.800 peak   822 spectrum    1 weight  0.10000E+01 volume  0.30759E-03 ppm1      7.017 ppm2      4.418 CV     1
 ASSI {  823}
   (( segid "    " and resid 40   and name H   ))
   (( segid "    " and resid 40   and name HB2 ))
      4.700     2.700     1.300 peak   823 spectrum    1 weight  0.10000E+01 volume  0.26973E-03 ppm1      7.017 ppm2      1.408 CV     1
 ASSI {  824}
   (( segid "    " and resid 40   and name H   ))
   (( segid "    " and resid 40   and name HB3 ))
      5.200     3.400     0.800 peak   824 spectrum    1 weight  0.10000E+01 volume  0.28156E-03 ppm1      7.005 ppm2      1.206 CV     1
 ASSI {  825}
   (( segid "    " and resid 39   and name H   ))
   (( segid "    " and resid 39   and name HB3 ))
      4.200     2.200     1.800 peak   825 spectrum    1 weight  0.10000E+01 volume  0.29576E-03 ppm1      7.983 ppm2      3.350 CV     1
 ASSI {  826}
   (( segid "    " and resid 39   and name H   ))
   (( segid "    " and resid 38   and name HB2 ))
      5.400     3.700     0.600 peak   826 spectrum    1 weight  0.10000E+01 volume  0.26737E-03 ppm1      7.992 ppm2      2.905 CV     1
 ASSI {  827}
   (( segid "    " and resid 38   and name H   ))
   (( segid "    " and resid 37   and name HA  ))
      3.700     1.800     1.800 peak   827 spectrum    1 weight  0.10000E+01 volume  0.85888E-03 ppm1      8.434 ppm2      4.207 CV     1
 ASSI {  828}
   (( segid "    " and resid 38   and name H   ))
   (( segid "    " and resid 36   and name HA3 ))
      4.500     2.600     1.500 peak   828 spectrum    1 weight  0.10000E+01 volume  0.26737E-03 ppm1      8.437 ppm2      4.029 CV     1
 ASSI {  829}
   (( segid "    " and resid 38   and name H   ))
   (( segid "    " and resid 36   and name HA2 ))
      2.600     0.900     0.900 peak   829 spectrum    1 weight  0.10000E+01 volume  0.53000E-03 ppm1      8.435 ppm2      3.757 CV     1
 ASSI {  830}
   (( segid "    " and resid 38   and name H   ))
   (( segid "    " and resid 38   and name HB3 ))
      3.600     1.600     1.600 peak   830 spectrum    1 weight  0.10000E+01 volume  0.14670E-02 ppm1      8.434 ppm2      3.153 CV     1
 ASSI {  831}
   (( segid "    " and resid 38   and name H   ))
   (( segid "    " and resid 38   and name HB2 ))
      3.100     1.200     1.200 peak   831 spectrum    1 weight  0.10000E+01 volume  0.22951E-02 ppm1      8.434 ppm2      2.904 CV     1
 ASSI {  832}
   (( segid "    " and resid 38   and name H   ))
   (( segid "    " and resid 37   and name HB2 ))
      3.200     1.300     1.300 peak   832 spectrum    1 weight  0.10000E+01 volume  0.85652E-03 ppm1      8.434 ppm2      2.608 CV     1
 ASSI {  833}
   (( segid "    " and resid 38   and name H   ))
   (( segid "    " and resid 37   and name HB3 ))
      4.200     2.200     1.800 peak   833 spectrum    1 weight  0.10000E+01 volume  0.93224E-03 ppm1      8.431 ppm2      2.463 CV     1
 ASSI {  834}
   (( segid "    " and resid 37   and name H   ))
   (( segid "    " and resid 35   and name H   ))
      2.700     0.900     0.900 peak   834 spectrum    1 weight  0.10000E+01 volume  0.43535E-03 ppm1      8.506 ppm2      8.011 CV     1
 ASSI {  835}
   (( segid "    " and resid 37   and name H   ))
   (( segid "    " and resid 35   and name HA  ))
      4.500     2.500     1.500 peak   835 spectrum    1 weight  0.10000E+01 volume  0.51107E-03 ppm1      8.504 ppm2      4.625 CV     1
 ASSI {  836}
   (( segid "    " and resid 37   and name H   ))
   (( segid "    " and resid 37   and name HA  ))
      2.900     1.100     1.100 peak   836 spectrum    1 weight  0.10000E+01 volume  0.23282E-02 ppm1      8.504 ppm2      4.208 CV     1
 ASSI {  837}
   (( segid "    " and resid 37   and name H   ))
   (( segid "    " and resid 36   and name HA3 ))
      2.800     1.000     1.000 peak   837 spectrum    1 weight  0.10000E+01 volume  0.28889E-02 ppm1      8.504 ppm2      4.032 CV     1
 ASSI {  838}
   (( segid "    " and resid 37   and name H   ))
   (( segid "    " and resid 36   and name HA2 ))
      3.300     1.400     1.400 peak   838 spectrum    1 weight  0.10000E+01 volume  0.39915E-02 ppm1      8.504 ppm2      3.756 CV     1
 ASSI {  839}
   (( segid "    " and resid 37   and name H   ))
   (( segid "    " and resid 37   and name HB2 ))
      3.400     1.400     1.400 peak   839 spectrum    1 weight  0.10000E+01 volume  0.22170E-02 ppm1      8.504 ppm2      2.604 CV     1
 ASSI {  840}
   (( segid "    " and resid 37   and name H   ))
   (( segid "    " and resid 37   and name HB3 ))
      3.200     1.300     1.300 peak   840 spectrum    1 weight  0.10000E+01 volume  0.30546E-02 ppm1      8.504 ppm2      2.464 CV     1
 ASSI {  841}
   (( segid "    " and resid 36   and name H   ))
   (( segid "    " and resid 35   and name HA  ))
      4.600     2.600     1.400 peak   841 spectrum    1 weight  0.10000E+01 volume  0.38567E-03 ppm1      7.562 ppm2      4.629 CV     1
 ASSI {  842}
   (( segid "    " and resid 36   and name H   ))
   (( segid "    " and resid 35   and name HB3 ))
      4.600     2.600     1.400 peak   842 spectrum    1 weight  0.10000E+01 volume  0.20112E-03 ppm1      7.558 ppm2      2.646 CV     1
 ASSI {  843}
   (( segid "    " and resid 36   and name H   ))
   (( segid "    " and resid 36   and name HA3 ))
      4.400     2.400     1.600 peak   843 spectrum    1 weight  0.10000E+01 volume  0.30759E-03 ppm1      7.579 ppm2      4.033 CV     1
 ASSI {  845}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 35   and name HA  ))
      2.900     1.000     1.000 peak   845 spectrum    1 weight  0.10000E+01 volume  0.31919E-02 ppm1      8.009 ppm2      4.629 CV     1
 ASSI {  846}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 34   and name HA  ))
      2.700     0.900     0.900 peak   846 spectrum    1 weight  0.10000E+01 volume  0.30995E-02 ppm1      8.009 ppm2      3.833 CV     1
 ASSI {  847}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 35   and name HB3 ))
      4.100     2.100     1.900 peak   847 spectrum    1 weight  0.10000E+01 volume  0.15072E-02 ppm1      8.009 ppm2      2.667 CV     1
 ASSI {  849}
   (( segid "    " and resid 35   and name H   ))
   (( segid "    " and resid 33   and name HB2 ))
      2.300     0.700     0.700 peak   849 spectrum    1 weight  0.10000E+01 volume  0.11712E-02 ppm1      8.009 ppm2      2.023 CV     1
 ASSI {  853}
   (( segid "    " and resid 34   and name H   ))
   (( segid "    " and resid 34   and name HA  ))
      3.400     1.400     1.400 peak   853 spectrum    1 weight  0.10000E+01 volume  0.11002E-02 ppm1      8.786 ppm2      3.835 CV     1
 ASSI {  854}
   (( segid "    " and resid 34   and name H   ))
   (( segid "    " and resid 33   and name HA  ))
      2.600     0.800     0.800 peak   854 spectrum    1 weight  0.10000E+01 volume  0.32013E-02 ppm1      8.785 ppm2      4.342 CV     1
 ASSI {  855}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 32   and name HA  ))
      2.400     0.700     0.700 peak   855 spectrum    1 weight  0.10000E+01 volume  0.71313E-02 ppm1      8.449 ppm2      4.483 CV     1
 ASSI {  856}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 33   and name HA  ))
      2.900     1.000     1.000 peak   856 spectrum    1 weight  0.10000E+01 volume  0.16302E-02 ppm1      8.449 ppm2      4.344 CV     1
 ASSI {  857}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 33   and name HG2 ))
      3.900     1.900     1.900 peak   857 spectrum    1 weight  0.10000E+01 volume  0.25293E-02 ppm1      8.449 ppm2      2.245 CV     1
 ASSI {  858}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 33   and name HG3 ))
      3.400     1.400     1.400 peak   858 spectrum    1 weight  0.10000E+01 volume  0.25814E-02 ppm1      8.449 ppm2      2.084 CV     1
 ASSI {  859}
   (( segid "    " and resid 33   and name H   ))
   (( segid "    " and resid 33   and name HB2 ))
      2.500     0.800     0.800 peak   859 spectrum    1 weight  0.10000E+01 volume  0.21579E-02 ppm1      8.449 ppm2      2.033 CV     1
 ASSI {  860}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 32   and name HG2 ))
      4.000     2.000     2.000 peak   860 spectrum    1 weight  0.10000E+01 volume  0.24370E-03 ppm1      8.828 ppm2      2.268 CV     1
 ASSI {  861}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 32   and name HG3 ))
      5.200     3.400     0.800 peak   861 spectrum    1 weight  0.10000E+01 volume  0.26263E-03 ppm1      8.827 ppm2      2.120 CV     1
 ASSI {  863}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 32   and name HB2 ))
      4.400     2.400     1.600 peak   863 spectrum    1 weight  0.10000E+01 volume  0.67906E-03 ppm1      8.834 ppm2      1.894 CV     1
 ASSI {  864}
   (( segid "    " and resid 32   and name H   ))
   (( segid "    " and resid 31   and name HB2 ))
      5.200     3.400     0.800 peak   864 spectrum    1 weight  0.10000E+01 volume  0.29576E-03 ppm1      8.841 ppm2      1.621 CV     1
 ASSI {  866}
   (( segid "    " and resid 32   and name H   ))
   (  segid "    " and resid 31   and name HD2%)
      5.300     3.600     0.700 peak   866 spectrum    1 weight  0.10000E+01 volume  0.50397E-03 ppm1      8.835 ppm2      0.347 CV     1
 ASSI {  867}
   (( segid "    " and resid 32   and name H   ))
   (  segid "    " and resid 31   and name HD1%)
      4.000     2.000     2.000 peak   867 spectrum    1 weight  0.10000E+01 volume  0.21769E-03 ppm1      8.835 ppm2      0.655 CV     1
 ASSI {  868}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 43   and name HA  ))
      3.000     1.100     1.100 peak   868 spectrum    1 weight  0.10000E+01 volume  0.24844E-03 ppm1      8.853 ppm2      5.127 CV     1
 ASSI {  869}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 30   and name HA  ))
      2.900     1.100     1.100 peak   869 spectrum    1 weight  0.10000E+01 volume  0.42376E-02 ppm1      8.859 ppm2      4.841 CV     1
 ASSI {  870}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 31   and name HA  ))
      2.700     0.900     0.900 peak   870 spectrum    1 weight  0.10000E+01 volume  0.13250E-02 ppm1      8.858 ppm2      4.466 CV     1
 ASSI {  871}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 30   and name HG2 ))
      3.500     1.500     1.500 peak   871 spectrum    1 weight  0.10000E+01 volume  0.94406E-03 ppm1      8.858 ppm2      2.215 CV     1
 ASSI {  872}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 30   and name HG3 ))
      2.500     0.800     0.800 peak   872 spectrum    1 weight  0.10000E+01 volume  0.16633E-02 ppm1      8.859 ppm2      2.118 CV     1
 OR {  872}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 30   and name HB3 ))
 ASSI {  873}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 30   and name HB2 ))
      3.700     1.700     1.700 peak   873 spectrum    1 weight  0.10000E+01 volume  0.10553E-02 ppm1      8.857 ppm2      1.968 CV     1
 ASSI {  874}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 31   and name HB2 ))
      2.800     1.000     1.000 peak   874 spectrum    1 weight  0.10000E+01 volume  0.23519E-02 ppm1      8.858 ppm2      1.618 CV     1
 ASSI {  875}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 31   and name HB3 ))
      3.300     1.400     1.400 peak   875 spectrum    1 weight  0.10000E+01 volume  0.15876E-02 ppm1      8.859 ppm2      1.232 CV     1
 ASSI {  877}
   (( segid "    " and resid 31   and name H   ))
   (  segid "    " and resid 31   and name HD2%)
      5.200     3.400     0.800 peak   877 spectrum    1 weight  0.10000E+01 volume  0.39039E-03 ppm1      8.858 ppm2      0.352 CV     1
 ASSI {  878}
   (( segid "    " and resid 31   and name H   ))
   (( segid "    " and resid 31   and name HG  ))
      4.300     2.300     1.700 peak   878 spectrum    1 weight  0.10000E+01 volume  0.74767E-03 ppm1      8.857 ppm2      1.149 CV     1
 ASSI {  879}
   (( segid "    " and resid 29   and name H   ))
   (( segid "    " and resid 28   and name HA  ))
      2.800     1.000     1.000 peak   879 spectrum    1 weight  0.10000E+01 volume  0.24157E-02 ppm1      8.749 ppm2      4.663 CV     1
 ASSI {  880}
   (( segid "    " and resid 29   and name H   ))
   (( segid "    " and resid 29   and name HA  ))
      3.400     1.400     1.400 peak   880 spectrum    1 weight  0.10000E+01 volume  0.69326E-03 ppm1      8.750 ppm2      4.905 CV     1
 ASSI {  881}
   (( segid "    " and resid 29   and name H   ))
   (( segid "    " and resid 28   and name HG2 ))
      4.100     2.100     1.900 peak   881 spectrum    1 weight  0.10000E+01 volume  0.97010E-03 ppm1      8.755 ppm2      2.278 CV     1
 ASSI {  882}
   (( segid "    " and resid 29   and name H   ))
   (( segid "    " and resid 29   and name HB  ))
      2.800     1.000     1.000 peak   882 spectrum    1 weight  0.10000E+01 volume  0.20939E-02 ppm1      8.752 ppm2      1.792 CV     1
 ASSI {  883}
   (( segid "    " and resid 29   and name H   ))
   (  segid "    " and resid 29   and name HG1%)
      4.500     2.600     1.500 peak   883 spectrum    1 weight  0.10000E+01 volume  0.76187E-03 ppm1      8.750 ppm2      0.732 CV     1
 ASSI {  884}
   (( segid "    " and resid 29   and name H   ))
   (  segid "    " and resid 29   and name HG2%)
      3.200     1.300     1.300 peak   884 spectrum    1 weight  0.10000E+01 volume  0.92986E-03 ppm1      8.750 ppm2      0.521 CV     1
 ASSI {  885}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 47   and name HA  ))
      2.400     0.700     0.700 peak   885 spectrum    1 weight  0.10000E+01 volume  0.79973E-03 ppm1      7.521 ppm2      4.814 CV     1
 ASSI {  886}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 28   and name HA  ))
      3.300     1.400     1.400 peak   886 spectrum    1 weight  0.10000E+01 volume  0.98903E-03 ppm1      7.521 ppm2      4.660 CV     1
 ASSI {  887}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 27   and name HA  ))
      3.100     1.200     1.200 peak   887 spectrum    1 weight  0.10000E+01 volume  0.97010E-03 ppm1      7.522 ppm2      4.248 CV     1
 ASSI {  888}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 26   and name HA  ))
      2.200     0.600     0.600 peak   888 spectrum    1 weight  0.10000E+01 volume  0.14315E-02 ppm1      7.522 ppm2      3.666 CV     1
 ASSI {  889}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 28   and name HG2 ))
      5.500     3.800     0.500 peak   889 spectrum    1 weight  0.10000E+01 volume  0.40224E-03 ppm1      7.529 ppm2      2.280 CV     1
 ASSI {  890}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 28   and name HG3 ))
      4.600     2.700     1.400 peak   890 spectrum    1 weight  0.10000E+01 volume  0.75241E-03 ppm1      7.521 ppm2      2.148 CV     1
 ASSI {  891}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 28   and name HB2 ))
      2.800     1.000     1.000 peak   891 spectrum    1 weight  0.10000E+01 volume  0.11499E-02 ppm1      7.521 ppm2      2.028 CV     1
 ASSI {  892}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 27   and name HG12))
      2.400     0.700     0.700 peak   892 spectrum    1 weight  0.10000E+01 volume  0.82102E-03 ppm1      7.522 ppm2      1.471 CV     1
 ASSI {  893}
   (( segid "    " and resid 28   and name H   ))
   (( segid "    " and resid 27   and name HG13))
      4.500     2.500     1.500 peak   893 spectrum    1 weight  0.10000E+01 volume  0.70509E-03 ppm1      7.521 ppm2      1.053 CV     1
 ASSI {  895}
   (( segid "    " and resid 28   and name H   ))
   (  segid "    " and resid 26   and name HG2%)
      3.100     1.200     1.200 peak   895 spectrum    1 weight  0.10000E+01 volume  0.30168E-02 ppm1      7.522 ppm2      0.684 CV     1
 ASSI {  897}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 24   and name H   ))
      2.600     0.900     0.900 peak   897 spectrum    1 weight  0.10000E+01 volume  0.52764E-03 ppm1      7.208 ppm2      7.757 CV     1
 ASSI {  898}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 25   and name HA  ))
      2.600     0.900     0.900 peak   898 spectrum    1 weight  0.10000E+01 volume  0.19851E-02 ppm1      7.206 ppm2      4.335 CV     1
 ASSI {  899}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 24   and name HA  ))
      2.400     0.700     0.700 peak   899 spectrum    1 weight  0.10000E+01 volume  0.99375E-03 ppm1      7.205 ppm2      4.126 CV     1
 ASSI {  900}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 26   and name HA  ))
      2.600     0.900     0.900 peak   900 spectrum    1 weight  0.10000E+01 volume  0.29836E-02 ppm1      7.206 ppm2      3.657 CV     1
 ASSI {  901}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 22   and name HA  ))
      2.800     1.000     1.000 peak   901 spectrum    1 weight  0.10000E+01 volume  0.35964E-03 ppm1      7.214 ppm2      3.977 CV     1
 ASSI {  902}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 26   and name HB  ))
      2.200     0.600     0.600 peak   902 spectrum    1 weight  0.10000E+01 volume  0.64310E-02 ppm1      7.206 ppm2      2.162 CV     1
 ASSI {  903}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 25   and name HB3 ))
      4.000     2.000     2.000 peak   903 spectrum    1 weight  0.10000E+01 volume  0.93696E-03 ppm1      7.206 ppm2      2.025 CV     1
 ASSI {  904}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 25   and name HB2 ))
      4.300     2.300     1.700 peak   904 spectrum    1 weight  0.10000E+01 volume  0.11617E-02 ppm1      7.206 ppm2      1.953 CV     1
 ASSI {  905}
   (( segid "    " and resid 26   and name H   ))
   (( segid "    " and resid 25   and name HG2 ))
      4.900     3.000     1.100 peak   905 spectrum    1 weight  0.10000E+01 volume  0.80684E-03 ppm1      7.206 ppm2      1.391 CV     1
 ASSI {  906}
   (( segid "    " and resid 26   and name H   ))
   (  segid "    " and resid 26   and name HG1%)
      2.700     0.900     0.900 peak   906 spectrum    1 weight  0.10000E+01 volume  0.66345E-02 ppm1      7.206 ppm2      0.846 CV     1
 ASSI {  907}
   (( segid "    " and resid 26   and name H   ))
   (  segid "    " and resid 26   and name HG2%)
      3.500     1.600     1.600 peak   907 spectrum    1 weight  0.10000E+01 volume  0.32817E-02 ppm1      7.206 ppm2      0.691 CV     1
 ASSI {  908}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 25   and name HA  ))
      2.300     0.700     0.700 peak   908 spectrum    1 weight  0.10000E+01 volume  0.45665E-02 ppm1      7.647 ppm2      4.335 CV     1
 ASSI {  909}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 24   and name HA  ))
      3.400     1.400     1.400 peak   909 spectrum    1 weight  0.10000E+01 volume  0.21579E-02 ppm1      7.647 ppm2      4.126 CV     1
 ASSI {  910}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 22   and name HA  ))
      2.200     0.600     0.600 peak   910 spectrum    1 weight  0.10000E+01 volume  0.14055E-02 ppm1      7.647 ppm2      3.974 CV     1
 ASSI {  911}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 23   and name HA  ))
      3.600     1.600     1.600 peak   911 spectrum    1 weight  0.10000E+01 volume  0.13889E-02 ppm1      7.647 ppm2      3.650 CV     1
 ASSI {  912}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 21   and name HA  ))
      2.900     1.000     1.000 peak   912 spectrum    1 weight  0.10000E+01 volume  0.30049E-03 ppm1      7.647 ppm2      3.777 CV     1
 ASSI {  913}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 25   and name HE3 ))
      4.900     3.000     1.100 peak   913 spectrum    1 weight  0.10000E+01 volume  0.50161E-03 ppm1      7.647 ppm2      2.925 CV     1
 OR {  913}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 25   and name HE2 ))
 ASSI {  914}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 24   and name HD3 ))
      5.500     3.800     0.500 peak   914 spectrum    1 weight  0.10000E+01 volume  0.22005E-03 ppm1      7.646 ppm2      3.079 CV     1
 ASSI {  915}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 25   and name HB2 ))
      2.600     0.800     0.800 peak   915 spectrum    1 weight  0.10000E+01 volume  0.52503E-02 ppm1      7.647 ppm2      1.957 CV     1
 ASSI {  916}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 24   and name HG2 ))
      4.200     2.200     1.800 peak   916 spectrum    1 weight  0.10000E+01 volume  0.20419E-02 ppm1      7.646 ppm2      1.774 CV     1
 ASSI {  917}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 25   and name HG2 ))
      3.600     1.600     1.600 peak   917 spectrum    1 weight  0.10000E+01 volume  0.33362E-02 ppm1      7.647 ppm2      1.387 CV     1
 ASSI {  919}
   (( segid "    " and resid 25   and name H   ))
   (  segid "    " and resid 47   and name HD1%)
      2.000     0.500     0.500 peak   919 spectrum    1 weight  0.10000E+01 volume  0.23708E-02 ppm1      7.647 ppm2      0.701 CV     1
 OR {  919}
   (( segid "    " and resid 25   and name H   ))
   (  segid "    " and resid 47   and name HD2%)
 ASSI {  920}
   (( segid "    " and resid 25   and name H   ))
   (( segid "    " and resid 25   and name HB3 ))
      2.700     0.900     0.900 peak   920 spectrum    1 weight  0.10000E+01 volume  0.36509E-02 ppm1      7.646 ppm2      2.046 CV     1
 ASSI {  922}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 24   and name HA  ))
      2.500     0.800     0.800 peak   922 spectrum    1 weight  0.10000E+01 volume  0.54490E-02 ppm1      7.730 ppm2      4.131 CV     1
 ASSI {  923}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 22   and name HA  ))
      4.000     2.000     2.000 peak   923 spectrum    1 weight  0.10000E+01 volume  0.58205E-03 ppm1      7.727 ppm2      3.979 CV     1
 ASSI {  924}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 23   and name HA  ))
      3.100     1.200     1.200 peak   924 spectrum    1 weight  0.10000E+01 volume  0.12824E-02 ppm1      7.729 ppm2      3.643 CV     1
 ASSI {  925}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 21   and name HA  ))
      2.200     0.600     0.600 peak   925 spectrum    1 weight  0.10000E+01 volume  0.15640E-02 ppm1      7.730 ppm2      3.780 CV     1
 ASSI {  927}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 24   and name HB2 ))
      2.400     0.700     0.700 peak   927 spectrum    1 weight  0.10000E+01 volume  0.41477E-02 ppm1      7.729 ppm2      1.879 CV     1
 ASSI {  928}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 24   and name HG2 ))
      2.800     1.000     1.000 peak   928 spectrum    1 weight  0.10000E+01 volume  0.95353E-02 ppm1      7.730 ppm2      1.774 CV     1
 ASSI {  929}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 24   and name HG3 ))
      2.500     0.800     0.800 peak   929 spectrum    1 weight  0.10000E+01 volume  0.31208E-02 ppm1      7.729 ppm2      1.689 CV     1
 ASSI {  930}
   (( segid "    " and resid 24   and name H   ))
   (( segid "    " and resid 23   and name HB3 ))
      3.900     1.900     1.900 peak   930 spectrum    1 weight  0.10000E+01 volume  0.15758E-02 ppm1      7.730 ppm2      0.833 CV     1
 ASSI {  931}
   (( segid "    " and resid 24   and name H   ))
   (  segid "    " and resid 23   and name HD2%)
      2.700     0.900     0.900 peak   931 spectrum    1 weight  0.10000E+01 volume  0.42353E-03 ppm1      7.729 ppm2      0.230 CV     1
 ASSI {  932}
   (( segid "    " and resid 24   and name H   ))
   (  segid "    " and resid 23   and name HD1%)
      2.500     0.800     0.800 peak   932 spectrum    1 weight  0.10000E+01 volume  0.62701E-03 ppm1      7.730 ppm2      0.480 CV     1
 ASSI {  933}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 20   and name HA  ))
      2.300     0.700     0.700 peak   933 spectrum    1 weight  0.10000E+01 volume  0.11949E-02 ppm1      7.802 ppm2      4.170 CV     1
 ASSI {  934}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 22   and name HA  ))
      3.800     1.800     1.800 peak   934 spectrum    1 weight  0.10000E+01 volume  0.71691E-03 ppm1      7.801 ppm2      3.972 CV     1
 ASSI {  935}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 21   and name HA  ))
      4.600     2.600     1.400 peak   935 spectrum    1 weight  0.10000E+01 volume  0.32178E-03 ppm1      7.800 ppm2      3.788 CV     1
 ASSI {  936}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 23   and name HA  ))
      3.000     1.100     1.100 peak   936 spectrum    1 weight  0.10000E+01 volume  0.11925E-02 ppm1      7.802 ppm2      3.641 CV     1
 ASSI {  937}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 22   and name HB2 ))
      3.000     1.100     1.100 peak   937 spectrum    1 weight  0.10000E+01 volume  0.24890E-02 ppm1      7.802 ppm2      1.558 CV     1
 OR {  937}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 22   and name HB3 ))
 ASSI {  938}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 23   and name HB3 ))
      3.200     1.300     1.300 peak   938 spectrum    1 weight  0.10000E+01 volume  0.12942E-02 ppm1      7.800 ppm2      0.834 CV     1
 ASSI {  941}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 19   and name HA  ))
      2.600     0.900     0.900 peak   941 spectrum    1 weight  0.10000E+01 volume  0.52526E-03 ppm1      7.232 ppm2      4.356 CV     1
 ASSI {  942}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 20   and name HA  ))
      2.100     0.600     0.600 peak   942 spectrum    1 weight  0.10000E+01 volume  0.18455E-02 ppm1      7.229 ppm2      4.161 CV     1
 ASSI {  943}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 22   and name HA  ))
      2.400     0.700     0.700 peak   943 spectrum    1 weight  0.10000E+01 volume  0.41643E-02 ppm1      7.230 ppm2      3.972 CV     1
 ASSI {  944}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 21   and name HA  ))
      2.600     0.900     0.900 peak   944 spectrum    1 weight  0.10000E+01 volume  0.18833E-02 ppm1      7.230 ppm2      3.795 CV     1
 ASSI {  945}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 20   and name HB3 ))
      2.500     0.800     0.800 peak   945 spectrum    1 weight  0.10000E+01 volume  0.62227E-03 ppm1      7.230 ppm2      2.605 CV     1
 OR {  945}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 20   and name HB2 ))
 ASSI {  946}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 21   and name HB2 ))
      3.300     1.300     1.300 peak   946 spectrum    1 weight  0.10000E+01 volume  0.43985E-02 ppm1      7.230 ppm2      1.667 CV     1
 OR {  946}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 21   and name HB3 ))
 ASSI {  947}
   (( segid "    " and resid 22   and name H   ))
   (( segid "    " and resid 20   and name H   ))
      2.600     0.800     0.800 peak   947 spectrum    1 weight  0.10000E+01 volume  0.54419E-03 ppm1      7.233 ppm2      8.873 CV     1
 ASSI {  948}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 19   and name H   ))
      2.300     0.700     0.700 peak   948 spectrum    1 weight  0.10000E+01 volume  0.10931E-02 ppm1      7.908 ppm2      8.127 CV     1
 ASSI {  949}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 19   and name HA  ))
      2.100     0.600     0.600 peak   949 spectrum    1 weight  0.10000E+01 volume  0.17935E-02 ppm1      7.905 ppm2      4.361 CV     1
 ASSI {  950}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 20   and name HA  ))
      2.600     0.800     0.800 peak   950 spectrum    1 weight  0.10000E+01 volume  0.46327E-02 ppm1      7.904 ppm2      4.158 CV     1
 ASSI {  951}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 21   and name HA  ))
      2.400     0.700     0.700 peak   951 spectrum    1 weight  0.10000E+01 volume  0.60714E-02 ppm1      7.904 ppm2      3.786 CV     1
 ASSI {  952}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 21   and name HE3 ))
      5.800     4.100     0.200 peak   952 spectrum    1 weight  0.10000E+01 volume  0.44482E-03 ppm1      7.903 ppm2      2.911 CV     1
 OR {  952}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 21   and name HE2 ))
 ASSI {  953}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 20   and name HB3 ))
      2.800     1.000     1.000 peak   953 spectrum    1 weight  0.10000E+01 volume  0.49498E-02 ppm1      7.905 ppm2      2.607 CV     1
 OR {  953}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 20   and name HB2 ))
 ASSI {  954}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 21   and name HB2 ))
      2.200     0.600     0.600 peak   954 spectrum    1 weight  0.10000E+01 volume  0.11584E-01 ppm1      7.904 ppm2      1.670 CV     1
 OR {  954}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 21   and name HB3 ))
 ASSI {  955}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 21   and name HG2 ))
      3.800     1.800     1.800 peak   955 spectrum    1 weight  0.10000E+01 volume  0.37006E-02 ppm1      7.905 ppm2      1.423 CV     1
 ASSI {  956}
   (( segid "    " and resid 21   and name H   ))
   (( segid "    " and resid 21   and name HG3 ))
      3.900     1.900     1.900 peak   956 spectrum    1 weight  0.10000E+01 volume  0.19094E-02 ppm1      7.904 ppm2      1.290 CV     1
 ASSI {  958}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 19   and name HA  ))
      2.500     0.800     0.800 peak   958 spectrum    1 weight  0.10000E+01 volume  0.90100E-02 ppm1      8.878 ppm2      4.361 CV     1
 ASSI {  960}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 19   and name HB3 ))
      2.700     0.900     0.900 peak   960 spectrum    1 weight  0.10000E+01 volume  0.19260E-02 ppm1      8.879 ppm2      3.841 CV     1
 ASSI {  961}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 20   and name HB3 ))
      2.400     0.700     0.700 peak   961 spectrum    1 weight  0.10000E+01 volume  0.63955E-02 ppm1      8.879 ppm2      2.607 CV     1
 OR {  961}
   (( segid "    " and resid 20   and name H   ))
   (( segid "    " and resid 20   and name HB2 ))
 ASSI {  962}
   (( segid "    " and resid 19   and name H   ))
   (( segid "    " and resid 18   and name HG  ))
      5.000     3.100     1.000 peak   962 spectrum    1 weight  0.10000E+01 volume  0.28630E-03 ppm1      8.135 ppm2      1.757 CV     1
 ASSI {  963}
   (( segid "    " and resid 19   and name H   ))
   (( segid "    " and resid 18   and name HB2 ))
      4.700     2.800     1.300 peak   963 spectrum    1 weight  0.10000E+01 volume  0.60336E-03 ppm1      8.127 ppm2      1.527 CV     1
 ASSI {  964}
   (( segid "    " and resid 19   and name H   ))
   (( segid "    " and resid 18   and name HB3 ))
      2.600     0.900     0.900 peak   964 spectrum    1 weight  0.10000E+01 volume  0.59151E-03 ppm1      8.132 ppm2      1.273 CV     1
 ASSI {  966}
   (( segid "    " and resid 19   and name H   ))
   (( segid "    " and resid 18   and name HA  ))
      3.200     1.300     1.300 peak   966 spectrum    1 weight  0.10000E+01 volume  0.27943E-02 ppm1      8.128 ppm2      4.434 CV     1
 ASSI {  969}
   (( segid "    " and resid 19   and name H   ))
   (( segid "    " and resid 19   and name HA  ))
      2.900     1.100     1.100 peak   969 spectrum    1 weight  0.10000E+01 volume  0.13558E-02 ppm1      8.127 ppm2      4.376 CV     1
 ASSI {  971}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 17   and name HD3 ))
      2.200     0.600     0.600 peak   971 spectrum    1 weight  0.10000E+01 volume  0.13510E-02 ppm1      8.451 ppm2      3.656 CV     1
 ASSI {  972}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 17   and name HB2 ))
      2.300     0.600     0.600 peak   972 spectrum    1 weight  0.10000E+01 volume  0.16397E-02 ppm1      8.451 ppm2      2.195 CV     1
 ASSI {  974}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 17   and name HG2 ))
      4.400     2.400     1.600 peak   974 spectrum    1 weight  0.10000E+01 volume  0.45192E-03 ppm1      8.453 ppm2      1.872 CV     1
 ASSI {  975}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 18   and name HB2 ))
      2.500     0.800     0.800 peak   975 spectrum    1 weight  0.10000E+01 volume  0.24725E-02 ppm1      8.451 ppm2      1.488 CV     1
 ASSI {  976}
   (( segid "    " and resid 18   and name H   ))
   (( segid "    " and resid 18   and name HB3 ))
      2.800     1.000     1.000 peak   976 spectrum    1 weight  0.10000E+01 volume  0.15734E-02 ppm1      8.449 ppm2      1.265 CV     1
 ASSI {  977}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 55   and name H   ))
      2.800     0.900     0.900 peak   977 spectrum    1 weight  0.10000E+01 volume  0.39277E-03 ppm1      8.915 ppm2      8.393 CV     1
 ASSI {  978}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 14   and name HA  ))
      3.000     1.100     1.100 peak   978 spectrum    1 weight  0.10000E+01 volume  0.13345E-02 ppm1      8.919 ppm2      4.523 CV     1
 ASSI {  979}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 13   and name HA  ))
      2.600     0.800     0.800 peak   979 spectrum    1 weight  0.10000E+01 volume  0.38780E-02 ppm1      8.919 ppm2      4.349 CV     1
 ASSI {  980}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 14   and name HB3 ))
      2.700     0.900     0.900 peak   980 spectrum    1 weight  0.10000E+01 volume  0.29576E-02 ppm1      8.920 ppm2      3.108 CV     1
 OR {  980}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 14   and name HB2 ))
 ASSI {  981}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 13   and name HB3 ))
      4.800     2.800     1.200 peak   981 spectrum    1 weight  0.10000E+01 volume  0.52764E-03 ppm1      8.921 ppm2      1.914 CV     1
 ASSI {  982}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 13   and name HG  ))
      2.900     1.000     1.000 peak   982 spectrum    1 weight  0.10000E+01 volume  0.41879E-03 ppm1      8.922 ppm2      1.577 CV     1
 ASSI {  983}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 13   and name HB2 ))
      4.700     2.800     1.300 peak   983 spectrum    1 weight  0.10000E+01 volume  0.61044E-03 ppm1      8.920 ppm2      1.131 CV     1
 ASSI {  987}
   (( segid "    " and resid 13   and name H   ))
   (( segid "    " and resid 13   and name HG  ))
      3.200     1.300     1.300 peak   987 spectrum    1 weight  0.10000E+01 volume  0.43086E-02 ppm1      8.556 ppm2      1.575 CV     1
 ASSI {  988}
   (( segid "    " and resid 13   and name H   ))
   (( segid "    " and resid 13   and name HB2 ))
      3.400     1.400     1.400 peak   988 spectrum    1 weight  0.10000E+01 volume  0.15616E-02 ppm1      8.556 ppm2      1.127 CV     1
 ASSI {  990}
   (( segid "    " and resid 13   and name H   ))
   (  segid "    " and resid 13   and name HD2%)
      3.700     1.700     1.700 peak   990 spectrum    1 weight  0.10000E+01 volume  0.17320E-02 ppm1      8.556 ppm2      0.567 CV     1
 ASSI {  992}
   (( segid "    " and resid 13   and name H   ))
   (( segid "    " and resid 12   and name HB3 ))
      3.700     1.700     1.700 peak   992 spectrum    1 weight  0.10000E+01 volume  0.16420E-02 ppm1      8.555 ppm2      2.005 CV     1
 ASSI {  993}
   (( segid "    " and resid 13   and name H   ))
   (( segid "    " and resid 12   and name HA  ))
      2.200     0.600     0.600 peak   993 spectrum    1 weight  0.10000E+01 volume  0.11087E-01 ppm1      8.556 ppm2      4.487 CV     1
 ASSI {  994}
   (( segid "    " and resid 13   and name H   ))
   (( segid "    " and resid 13   and name HA  ))
      2.800     1.000     1.000 peak   994 spectrum    1 weight  0.10000E+01 volume  0.22099E-02 ppm1      8.556 ppm2      4.350 CV     1
 ASSI {  995}
   (( segid "    " and resid 12   and name H   ))
   (( segid "    " and resid 12   and name HA  ))
      2.900     1.100     1.100 peak   995 spectrum    1 weight  0.10000E+01 volume  0.23637E-02 ppm1      7.763 ppm2      4.518 CV     1
 ASSI {  996}
   (( segid "    " and resid 12   and name H   ))
   (( segid "    " and resid 12   and name HG3 ))
      3.700     1.700     1.700 peak   996 spectrum    1 weight  0.10000E+01 volume  0.17296E-02 ppm1      7.763 ppm2      2.257 CV     1
 OR {  996}
   (( segid "    " and resid 12   and name H   ))
   (( segid "    " and resid 12   and name HG2 ))
 ASSI {  997}
   (( segid "    " and resid 12   and name H   ))
   (( segid "    " and resid 12   and name HB2 ))
      3.300     1.300     1.300 peak   997 spectrum    1 weight  0.10000E+01 volume  0.23116E-02 ppm1      7.763 ppm2      1.923 CV     1
 ASSI {  998}
   (( segid "    " and resid 12   and name H   ))
   (  segid "    " and resid 11   and name HG2%)
      3.400     1.500     1.500 peak   998 spectrum    1 weight  0.10000E+01 volume  0.11120E-02 ppm1      7.764 ppm2      1.083 CV     1
 ASSI {  999}
   (( segid "    " and resid 12   and name H   ))
   (( segid "    " and resid 12   and name HB3 ))
      3.100     1.200     1.200 peak   999 spectrum    1 weight  0.10000E+01 volume  0.16066E-02 ppm1      7.761 ppm2      1.996 CV     1
 ASSI { 1000}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 10   and name HA  ))
      2.900     1.000     1.000 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.32888E-02 ppm1      8.852 ppm2      4.553 CV     1
 ASSI { 1001}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 10   and name HB2 ))
      4.700     2.800     1.300 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.35255E-03 ppm1      8.852 ppm2      2.736 CV     1
 ASSI { 1002}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 10   and name HB3 ))
      4.400     2.400     1.600 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.48268E-03 ppm1      8.851 ppm2      2.538 CV     1
 ASSI { 1003}
   (( segid "    " and resid 11   and name H   ))
   (  segid "    " and resid 11   and name HG2%)
      4.000     2.000     2.000 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.10529E-02 ppm1      8.852 ppm2      1.080 CV     1
 ASSI { 1004}
   (( segid "    " and resid 10   and name H   ))
   (( segid "    " and resid 32   and name HE21))
      2.900     1.000     1.000 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.30049E-03 ppm1      9.598 ppm2      7.903 CV     1
 ASSI { 1005}
   (( segid "    " and resid 10   and name H   ))
   (( segid "    " and resid 32   and name HE22))
      2.600     0.800     0.800 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.58679E-03 ppm1      9.600 ppm2      7.076 CV     1
 ASSI { 1006}
   (( segid "    " and resid 10   and name H   ))
   (( segid "    " and resid 9    and name HB3 ))
      4.300     2.300     1.700 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.81866E-03 ppm1      9.596 ppm2      2.887 CV     1
 ASSI { 1007}
   (( segid "    " and resid 10   and name H   ))
   (( segid "    " and resid 10   and name HB2 ))
      3.000     1.100     1.100 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.11759E-02 ppm1      9.596 ppm2      2.742 CV     1
 ASSI { 1008}
   (( segid "    " and resid 10   and name H   ))
   (( segid "    " and resid 9    and name HB2 ))
      3.100     1.200     1.200 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.63647E-03 ppm1      9.596 ppm2      2.628 CV     1
 ASSI { 1009}
   (( segid "    " and resid 10   and name H   ))
   (( segid "    " and resid 10   and name HB3 ))
      4.300     2.300     1.700 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.83285E-03 ppm1      9.597 ppm2      2.545 CV     1
 ASSI { 1011}
   (( segid "    " and resid 9    and name H   ))
   (( segid "    " and resid 9    and name HA  ))
      2.800     1.000     1.000 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.24890E-02 ppm1      8.233 ppm2      4.493 CV     1
 ASSI { 1012}
   (( segid "    " and resid 9    and name H   ))
   (( segid "    " and resid 8    and name HA  ))
      2.200     0.600     0.600 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.86385E-02 ppm1      8.233 ppm2      4.294 CV     1
 ASSI { 1013}
   (( segid "    " and resid 9    and name H   ))
   (( segid "    " and resid 9    and name HB3 ))
      3.300     1.400     1.400 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.26854E-02 ppm1      8.232 ppm2      2.888 CV     1
 ASSI { 1014}
   (( segid "    " and resid 9    and name H   ))
   (( segid "    " and resid 9    and name HB2 ))
      2.800     1.000     1.000 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.38519E-02 ppm1      8.233 ppm2      2.631 CV     1
 ASSI { 1015}
   (( segid "    " and resid 9    and name H   ))
   (  segid "    " and resid 8    and name HB% )
      2.700     0.900     0.900 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.37029E-02 ppm1      8.233 ppm2      1.294 CV     1
 ASSI { 1016}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 7    and name HB  ))
      2.700     0.900     0.900 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.28889E-02 ppm1      8.252 ppm2      4.130 CV     1
 ASSI { 1018}
   (( segid "    " and resid 8    and name H   ))
   (  segid "    " and resid 7    and name HG2%)
      3.200     1.300     1.300 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.30191E-02 ppm1      8.251 ppm2      1.149 CV     1
 ASSI { 1020}
   (( segid "    " and resid 6    and name H   ))
   (( segid "    " and resid 5    and name HD3 ))
      5.500     3.800     0.500 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.46139E-03 ppm1      8.373 ppm2      3.540 CV     1
 ASSI { 1021}
   (( segid "    " and resid 6    and name H   ))
   (( segid "    " and resid 5    and name HD2 ))
      4.900     3.000     1.100 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.31942E-03 ppm1      8.372 ppm2      3.680 CV     1
 ASSI { 1022}
   (( segid "    " and resid 6    and name H   ))
   (( segid "    " and resid 5    and name HB2 ))
      2.500     0.800     0.800 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.15001E-02 ppm1      8.372 ppm2      2.201 CV     1
 ASSI { 1023}
   (( segid "    " and resid 6    and name H   ))
   (( segid "    " and resid 5    and name HB3 ))
      4.100     2.100     1.900 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.20325E-02 ppm1      8.371 ppm2      1.849 CV     1
 ASSI { 1024}
   (( segid "    " and resid 7    and name H   ))
   (( segid "    " and resid 6    and name HA  ))
      2.400     0.700     0.700 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.76520E-02 ppm1      8.183 ppm2      4.388 CV     1
 ASSI { 1025}
   (( segid "    " and resid 7    and name H   ))
   (( segid "    " and resid 7    and name HA  ))
      2.800     1.000     1.000 peak  1025 spectrum    1 weight  0.10000E+01 volume  0.25791E-02 ppm1      8.183 ppm2      4.257 CV     1
 ASSI { 1026}
   (( segid "    " and resid 7    and name H   ))
   (( segid "    " and resid 7    and name HB  ))
      2.900     1.100     1.100 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.31066E-02 ppm1      8.181 ppm2      4.133 CV     1
 ASSI { 1027}
   (( segid "    " and resid 7    and name H   ))
   (  segid "    " and resid 7    and name HG2%)
      3.600     1.600     1.600 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.22005E-02 ppm1      8.183 ppm2      1.147 CV     1
 ASSI { 1028}
   (( segid "    " and resid 6    and name H   ))
   (( segid "    " and resid 5    and name HG2 ))
      4.800     2.800     1.200 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.74295E-03 ppm1      8.371 ppm2      1.929 CV     1
 OR { 1028}
   (( segid "    " and resid 6    and name H   ))
   (( segid "    " and resid 5    and name HG3 ))
 ASSI { 1029}
   (( segid "    " and resid 2    and name H   ))
   (( segid "    " and resid 2    and name HA  ))
      3.600     1.700     1.700 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.34545E-03 ppm1      8.395 ppm2      4.351 CV     1
 ASSI { 1030}
   (( segid "    " and resid 2    and name H   ))
   (( segid "    " and resid 1    and name HA  ))
      3.100     1.200     1.200 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.90621E-03 ppm1      8.390 ppm2      4.156 CV     1
 ASSI { 1031}
   (( segid "    " and resid 2    and name H   ))
   (( segid "    " and resid 1    and name HB3 ))
      4.200     2.200     1.800 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.21531E-03 ppm1      8.393 ppm2      3.132 CV     1
 ASSI { 1032}
   (( segid "    " and resid 2    and name H   ))
   (( segid "    " and resid 2    and name HB2 ))
      4.000     2.000     2.000 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.11050E-02 ppm1      8.392 ppm2      1.471 CV     1
 OR { 1032}
   (( segid "    " and resid 2    and name H   ))
   (( segid "    " and resid 2    and name HB3 ))
 OR { 1032}
   (( segid "    " and resid 2    and name H   ))
   (( segid "    " and resid 2    and name HG  ))
 ASSI { 1034}
   (( segid "    " and resid 80   and name HD22))
   (( segid "    " and resid 80   and name HB3 ))
      3.900     1.900     1.900 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.18526E-02 ppm1      6.842 ppm2      2.745 CV     1
 ASSI { 1035}
   (( segid "    " and resid 80   and name HD22))
   (( segid "    " and resid 80   and name HB2 ))
      3.700     1.700     1.700 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.23779E-02 ppm1      6.842 ppm2      2.623 CV     1
 ASSI { 1036}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 80   and name HB3 ))
      3.200     1.300     1.300 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.33954E-02 ppm1      7.532 ppm2      2.745 CV     1
 ASSI { 1037}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 80   and name HB2 ))
      2.800     1.000     1.000 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.41714E-02 ppm1      7.531 ppm2      2.623 CV     1
 ASSI { 1038}
   (( segid "    " and resid 80   and name HD22))
   (( segid "    " and resid 80   and name HA  ))
      5.600     3.900     0.400 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.48504E-03 ppm1      6.841 ppm2      4.633 CV     1
 ASSI { 1039}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 80   and name HA  ))
      2.700     0.900     0.900 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.77606E-03 ppm1      7.531 ppm2      4.631 CV     1
 ASSI { 1040}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 80   and name HD22))
      1.300     0.200     0.900 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.80307E-01 ppm1      7.532 ppm2      6.841 CV     1
 ASSI { 1042}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 63   and name HE22))
      1.400     0.200     0.800 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.64670E-01 ppm1      7.391 ppm2      6.806 CV     1
 ASSI { 1043}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 63   and name HA  ))
      5.500     3.800     0.500 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.42117E-03 ppm1      7.389 ppm2      4.078 CV     1
 ASSI { 1044}
   (( segid "    " and resid 63   and name HE22))
   (( segid "    " and resid 63   and name HA  ))
      6.000     6.000     0.000 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.25080E-03 ppm1      6.809 ppm2      4.070 CV     1
 ASSI { 1045}
   (( segid "    " and resid 63   and name HE21))
   (( segid "    " and resid 63   and name HG2 ))
      2.400     0.700     0.700 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.34781E-02 ppm1      7.390 ppm2      2.238 CV     1
 ASSI { 1046}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 57   and name HA  ))
      4.300     2.300     1.700 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.84942E-03 ppm1      7.550 ppm2      4.499 CV     1
 ASSI { 1047}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 57   and name HG2 ))
      2.500     0.800     0.800 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.44530E-02 ppm1      7.550 ppm2      2.391 CV     1
 OR { 1047}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 57   and name HG3 ))
 OR { 1047}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 57   and name HB2 ))
 ASSI { 1048}
   (( segid "    " and resid 57   and name HE22))
   (( segid "    " and resid 57   and name HG2 ))
      3.800     1.800     1.800 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.28156E-02 ppm1      6.848 ppm2      2.393 CV     1
 OR { 1048}
   (( segid "    " and resid 57   and name HE22))
   (( segid "    " and resid 57   and name HG3 ))
 OR { 1048}
   (( segid "    " and resid 57   and name HE22))
   (( segid "    " and resid 57   and name HB2 ))
 ASSI { 1049}
   (( segid "    " and resid 57   and name HE22))
   (( segid "    " and resid 57   and name HB3 ))
      4.000     2.000     2.000 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.87307E-03 ppm1      6.845 ppm2      1.979 CV     1
 ASSI { 1050}
   (( segid "    " and resid 57   and name HE22))
   (( segid "    " and resid 57   and name HA  ))
      5.900     4.400     0.100 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.55129E-03 ppm1      6.848 ppm2      4.499 CV     1
 ASSI { 1051}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 57   and name HB3 ))
      3.400     1.400     1.400 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.10624E-02 ppm1      7.548 ppm2      1.966 CV     1
 ASSI { 1052}
   (( segid "    " and resid 57   and name HE22))
   (( segid "    " and resid 57   and name HE21))
      1.300     0.200     0.900 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.12597E+00 ppm1      6.848 ppm2      7.549 CV     1
 ASSI { 1054}
   (( segid "    " and resid 49   and name HE21))
   (( segid "    " and resid 49   and name HA  ))
      4.300     2.300     1.700 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.67433E-03 ppm1      7.517 ppm2      4.449 CV     1
 ASSI { 1055}
   (( segid "    " and resid 49   and name HE21))
   (( segid "    " and resid 49   and name HG2 ))
      2.400     0.700     0.700 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.42518E-02 ppm1      7.517 ppm2      2.269 CV     1
 OR { 1055}
   (( segid "    " and resid 49   and name HE21))
   (( segid "    " and resid 49   and name HG3 ))
 OR { 1055}
   (( segid "    " and resid 49   and name HE21))
   (( segid "    " and resid 49   and name HB2 ))
 ASSI { 1056}
   (( segid "    " and resid 49   and name HE21))
   (( segid "    " and resid 49   and name HB3 ))
      4.200     2.200     1.800 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.85652E-03 ppm1      7.519 ppm2      1.912 CV     1
 ASSI { 1057}
   (( segid "    " and resid 49   and name HE21))
   (( segid "    " and resid 49   and name HE22))
      1.200     0.200     1.000 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.10061E+00 ppm1      7.518 ppm2      6.795 CV     1
 ASSI { 1059}
   (( segid "    " and resid 28   and name HE21))
   (( segid "    " and resid 28   and name HE22))
      1.900     0.400     0.400 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.10297E-01 ppm1      7.417 ppm2      6.656 CV     1
 ASSI { 1061}
   (( segid "    " and resid 28   and name HE21))
   (( segid "    " and resid 28   and name HG2 ))
      3.900     1.900     1.900 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.10198E-02 ppm1      7.417 ppm2      2.276 CV     1
 ASSI { 1062}
   (( segid "    " and resid 28   and name HE22))
   (( segid "    " and resid 28   and name HG2 ))
      4.800     2.900     1.200 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.67906E-03 ppm1      6.654 ppm2      2.275 CV     1
 ASSI { 1064}
   (( segid "    " and resid 28   and name HE22))
   (( segid "    " and resid 28   and name HB3 ))
      3.000     1.100     1.100 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.22477E-03 ppm1      6.663 ppm2      1.816 CV     1
 ASSI { 1066}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 32   and name HE22))
      2.300     0.700     0.700 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.21531E-02 ppm1      7.894 ppm2      7.075 CV     1
 ASSI { 1068}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 32   and name HA  ))
      5.400     3.600     0.600 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.45902E-03 ppm1      7.081 ppm2      4.489 CV     1
 ASSI { 1069}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 32   and name HA  ))
      5.100     3.200     0.900 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.48978E-03 ppm1      7.896 ppm2      4.484 CV     1
 ASSI { 1070}
   (( segid "    " and resid 12   and name HE22))
   (( segid "    " and resid 12   and name HE21))
      1.400     0.200     0.800 peak  1070 spectrum    1 weight  0.10000E+01 volume  0.65354E-01 ppm1      7.452 ppm2      6.816 CV     1
 ASSI { 1072}
   (( segid "    " and resid 58   and name HD21))
   (( segid "    " and resid 58   and name HD22))
      2.600     0.800     0.800 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.20064E-02 ppm1      7.371 ppm2      7.116 CV     1
 ASSI { 1074}
   (( segid "    " and resid 58   and name HD21))
   (( segid "    " and resid 58   and name HB3 ))
      3.200     1.300     1.300 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.67433E-03 ppm1      7.371 ppm2      3.053 CV     1
 ASSI { 1075}
   (( segid "    " and resid 58   and name HD21))
   (( segid "    " and resid 58   and name HB2 ))
      4.400     2.400     1.600 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.43299E-03 ppm1      7.371 ppm2      2.816 CV     1
 ASSI { 1076}
   (( segid "    " and resid 58   and name HD22))
   (( segid "    " and resid 58   and name HB2 ))
      5.700     4.100     0.300 peak  1076 spectrum    1 weight  0.10000E+01 volume  0.25317E-03 ppm1      7.107 ppm2      2.800 CV     1
 ASSI { 1077}
   (( segid "    " and resid 58   and name HD22))
   (( segid "    " and resid 58   and name HB3 ))
      5.200     3.400     0.800 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.39986E-03 ppm1      7.115 ppm2      3.054 CV     1
 ASSI { 1078}
   (( segid "    " and resid 58   and name HD21))
   (( segid "    " and resid 58   and name HA  ))
      5.400     3.600     0.600 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.18929E-03 ppm1      7.367 ppm2      4.695 CV     1
 ASSI { 1079}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 68   and name HE22))
      1.900     0.400     0.400 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.10896E-01 ppm1      6.448 ppm2      6.774 CV     1
 ASSI { 1081}
   (( segid "    " and resid 41   and name HE22))
   (( segid "    " and resid 41   and name HE21))
      3.000     1.100     1.100 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.76424E-03 ppm1      6.963 ppm2      7.665 CV     1
 ASSI { 1083}
   (( segid "    " and resid 12   and name HE22))
   (( segid "    " and resid 12   and name HG2 ))
      3.300     1.400     1.400 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.36319E-02 ppm1      7.451 ppm2      2.262 CV     1
 ASSI { 1084}
   (( segid "    " and resid 12   and name HE22))
   (( segid "    " and resid 12   and name HA  ))
      5.000     3.100     1.000 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.28866E-03 ppm1      7.451 ppm2      4.485 CV     1
 ASSI { 1085}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 68   and name HA  ))
      5.300     3.500     0.700 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.24608E-03 ppm1      6.446 ppm2      4.000 CV     1
 ASSI { 1086}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 68   and name HG2 ))
      4.100     2.100     1.900 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.87781E-03 ppm1      6.447 ppm2      1.864 CV     1
 OR { 1086}
   (( segid "    " and resid 68   and name HE21))
   (( segid "    " and resid 68   and name HB2 ))
 ASSI { 1089}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 32   and name HG3 ))
      4.000     2.000     2.000 peak  1089 spectrum    1 weight  0.10000E+01 volume  0.59389E-03 ppm1      7.897 ppm2      2.120 CV     1
 ASSI { 1090}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 32   and name HG2 ))
      2.900     1.000     1.000 peak  1090 spectrum    1 weight  0.10000E+01 volume  0.81156E-03 ppm1      7.894 ppm2      2.270 CV     1
 ASSI { 1091}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 85   and name HD3 ))
      3.100     1.200     1.200 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.12706E-02 ppm1      7.181 ppm2      3.091 CV     1
 OR { 1091}
   (( segid "    " and resid 85   and name HE  ))
   (( segid "    " and resid 85   and name HD2 ))
 ASSI { 1092}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 70   and name HD2 ))
      3.300     1.400     1.400 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.97246E-03 ppm1      7.201 ppm2      3.071 CV     1
 OR { 1092}
   (( segid "    " and resid 70   and name HE  ))
   (( segid "    " and resid 70   and name HD3 ))
 ASSI { 1093}
   (( segid "    " and resid 50   and name HE  ))
   (( segid "    " and resid 50   and name HG2 ))
      4.400     2.400     1.600 peak  1093 spectrum    1 weight  0.10000E+01 volume  0.27684E-03 ppm1      7.075 ppm2      1.472 CV     1
 ASSI { 1094}
   (( segid "    " and resid 50   and name HE  ))
   (( segid "    " and resid 50   and name HG3 ))
      5.800     4.200     0.200 peak  1094 spectrum    1 weight  0.10000E+01 volume  0.17272E-03 ppm1      7.092 ppm2      1.237 CV     1
 ASSI { 1095}
   (( segid "    " and resid 72   and name H   ))
   (( segid "    " and resid 71   and name HB2 ))
      4.200     2.200     1.800 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.15095E-02 ppm1      8.000 ppm2      1.684 CV     1
 ASSI { 1096}
   (( segid "    " and resid 72   and name H   ))
   (( segid "    " and resid 71   and name HB3 ))
      3.500     1.600     1.600 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.14622E-02 ppm1      8.000 ppm2      1.734 CV     1
 ASSI { 1097}
   (( segid "    " and resid 52   and name H   ))
   (( segid "    " and resid 51   and name HB3 ))
      2.700     0.900     0.900 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.25128E-02 ppm1      8.726 ppm2      3.385 CV     1
 OR { 1097}
   (( segid "    " and resid 52   and name H   ))
   (( segid "    " and resid 51   and name HB2 ))
 ASSI { 1098}
   (( segid "    " and resid 76   and name H   ))
   (  segid "    " and resid 75   and name HG2%)
      3.300     1.300     1.300 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.21721E-02 ppm1      8.267 ppm2      1.129 CV     1
 ASSI { 1099}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 4    and name HD3 ))
      4.600     2.600     1.400 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.55365E-03 ppm1      8.272 ppm2      3.820 CV     1
 ASSI { 1100}
   (( segid "    " and resid 76   and name H   ))
   (( segid "    " and resid 75   and name HB  ))
      3.700     1.700     1.700 peak  1100 spectrum    1 weight  0.10000E+01 volume  0.31729E-02 ppm1      8.267 ppm2      4.127 CV     1
 ASSI { 1101}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 45   and name HA  ))
      2.900     1.000     1.000 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.30995E-03 ppm1      9.032 ppm2      4.567 CV     1
 ASSI { 1102}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 27   and name HA  ))
      3.300     1.400     1.400 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.76424E-03 ppm1      9.025 ppm2      4.253 CV     1
 ASSI { 1103}
   (( segid "    " and resid 27   and name H   ))
   (( segid "    " and resid 26   and name HA  ))
      2.300     0.700     0.700 peak  1103 spectrum    1 weight  0.10000E+01 volume  0.30901E-02 ppm1      9.026 ppm2      3.665 CV     1
 ASSI { 1104}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 30   and name HB2 ))
      3.900     1.900     1.900 peak  1104 spectrum    1 weight  0.10000E+01 volume  0.12895E-02 ppm1      9.034 ppm2      1.960 CV     1
 ASSI { 1106}
   (( segid "    " and resid 49   and name HE22))
   (( segid "    " and resid 49   and name HA  ))
      5.800     4.200     0.200 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.51107E-03 ppm1      6.800 ppm2      4.461 CV     1
 ASSI { 1107}
   (( segid "    " and resid 12   and name HE22))
   (( segid "    " and resid 12   and name HB3 ))
      5.600     3.900     0.400 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.36202E-03 ppm1      7.447 ppm2      1.996 CV     1
 ASSI { 1108}
   (( segid "    " and resid 49   and name HE22))
   (( segid "    " and resid 49   and name HB3 ))
      4.000     2.000     2.000 peak  1108 spectrum    1 weight  0.10000E+01 volume  0.10931E-02 ppm1      6.803 ppm2      1.922 CV     1
 ASSI { 1109}
   (( segid "    " and resid 28   and name HE21))
   (( segid "    " and resid 28   and name HB2 ))
      5.200     3.400     0.800 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.28392E-03 ppm1      7.420 ppm2      2.030 CV     1
 ASSI { 1110}
   (( segid "    " and resid 28   and name HE21))
   (( segid "    " and resid 28   and name HB3 ))
      5.900     4.400     0.100 peak  1110 spectrum    1 weight  0.10000E+01 volume  0.20584E-03 ppm1      7.432 ppm2      1.832 CV     1
 ASSI { 1115}
   (( segid "    " and resid 49   and name HE21))
   (  segid "    " and resid 48   and name HB% )
      3.900     1.900     1.900 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.15048E-02 ppm1      7.518 ppm2      1.419 CV     1
 ASSI { 1116}
   (( segid "    " and resid 49   and name HE22))
   (  segid "    " and resid 48   and name HB% )
      4.400     2.400     1.600 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.11050E-02 ppm1      6.796 ppm2      1.421 CV     1
 ASSI { 1119}
   (( segid "    " and resid 80   and name HD21))
   (( segid "    " and resid 80   and name H   ))
      4.400     2.400     1.600 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.92039E-03 ppm1      7.533 ppm2      8.248 CV     1
 ASSI { 1120}
   (( segid "    " and resid 63   and name H   ))
   (( segid "    " and resid 65   and name H   ))
      4.800     2.900     1.200 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.31469E-03 ppm1      7.861 ppm2      8.154 CV     1
 ASSI { 1122}
   (( segid "    " and resid 30   and name H   ))
   (( segid "    " and resid 44   and name H   ))
      2.700     0.900     0.900 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.43063E-03 ppm1      9.033 ppm2      9.533 CV     1
 ASSI { 1123}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 64   and name HZ2 ))
      2.700     0.900     0.900 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.49285E-02 ppm1      9.992 ppm2      7.223 CV     1
 ASSI { 1124}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 64   and name HD1 ))
      2.600     0.800     0.800 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.70461E-02 ppm1      9.992 ppm2      6.839 CV     1
 ASSI { 1125}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 64   and name HA  ))
      4.700     2.700     1.300 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.56312E-03 ppm1      9.993 ppm2      4.263 CV     1
 ASSI { 1126}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 64   and name HB3 ))
      4.700     2.700     1.300 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.45665E-03 ppm1      9.995 ppm2      3.045 CV     1
 ASSI { 1127}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 68   and name HE21))
      5.300     3.500     0.700 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.17509E-03 ppm1      7.925 ppm2      6.444 CV     1
 ASSI { 1128}
   (( segid "    " and resid 62   and name H   ))
   (( segid "    " and resid 60   and name H   ))
      2.800     1.000     1.000 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.32178E-03 ppm1      7.643 ppm2      8.695 CV     1
 ASSI { 1129}
   (( segid "    " and resid 49   and name H   ))
   (( segid "    " and resid 47   and name H   ))
      2.700     0.900     0.900 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.42589E-03 ppm1      8.412 ppm2      8.720 CV     1
 ASSI { 1131}
   (( segid "    " and resid 23   and name H   ))
   (( segid "    " and resid 21   and name H   ))
      2.600     0.800     0.800 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.58679E-03 ppm1      7.801 ppm2      7.919 CV     1
 ASSI { 1132}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 69   and name H   ))
      4.800     2.900     1.200 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.28392E-03 ppm1      8.023 ppm2      8.315 CV     1
 ASSI { 1133}
   (( segid "    " and resid 66   and name H   ))
   (( segid "    " and resid 64   and name H   ))
      2.900     1.000     1.000 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.29576E-03 ppm1      8.021 ppm2      7.723 CV     1
 ASSI { 1134}
   (( segid "    " and resid 63   and name H   ))
   (( segid "    " and resid 61   and name H   ))
      3.000     1.100     1.100 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.23898E-03 ppm1      7.860 ppm2      7.549 CV     1
 ASSI { 1137}
   (( segid "    " and resid 54   and name H   ))
   (( segid "    " and resid 45   and name H   ))
      3.200     1.300     1.300 peak  1137 spectrum    1 weight  0.10000E+01 volume  0.15616E-03 ppm1      9.763 ppm2      9.074 CV     1
 ASSI { 1138}
   (( segid "    " and resid 61   and name H   ))
   (( segid "    " and resid 58   and name H   ))
      3.000     1.100     1.100 peak  1138 spectrum    1 weight  0.10000E+01 volume  0.25553E-03 ppm1      7.542 ppm2      8.249 CV     1
 ASSI { 1139}
   (( segid "    " and resid 68   and name H   ))
   (( segid "    " and resid 65   and name H   ))
      2.800     1.000     1.000 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.35964E-03 ppm1      7.913 ppm2      8.132 CV     1
 ASSI { 1140}
   (( segid "    " and resid 70   and name H   ))
   (( segid "    " and resid 68   and name H   ))
      2.500     0.800     0.800 peak  1140 spectrum    1 weight  0.10000E+01 volume  0.70273E-03 ppm1      8.029 ppm2      7.909 CV     1
 ASSI { 1141}
   (( segid "    " and resid 47   and name H   ))
   (( segid "    " and resid 51   and name H   ))
      5.000     3.100     1.000 peak  1141 spectrum    1 weight  0.10000E+01 volume  0.26973E-03 ppm1      8.731 ppm2      8.523 CV     1
 ASSI { 1142}
   (( segid "    " and resid 74   and name H   ))
   (( segid "    " and resid 71   and name HA  ))
      2.800     1.000     1.000 peak  1142 spectrum    1 weight  0.10000E+01 volume  0.37621E-03 ppm1      8.310 ppm2      4.156 CV     1
 ASSI { 1144}
   (( segid "    " and resid 71   and name H   ))
   (( segid "    " and resid 67   and name HA  ))
      3.200     1.200     1.200 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.17272E-03 ppm1      7.983 ppm2      4.456 CV     1
 ASSI { 1145}
   (( segid "    " and resid 64   and name H   ))
   (( segid "    " and resid 61   and name HA  ))
      2.600     0.800     0.800 peak  1145 spectrum    1 weight  0.10000E+01 volume  0.58443E-03 ppm1      7.726 ppm2      4.010 CV     1
 ASSI { 1146}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 86   and name HE3 ))
      6.000     4.900     0.000 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.22005E-03 ppm1      8.375 ppm2      2.925 CV     1
 OR { 1146}
   (( segid "    " and resid 87   and name H   ))
   (( segid "    " and resid 86   and name HE2 ))
 ASSI { 1147}
   (( segid "    " and resid 72   and name H   ))
   (( segid "    " and resid 73   and name HA  ))
      5.000     3.200     1.000 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.18455E-03 ppm1      8.001 ppm2      4.594 CV     1
 ASSI {  222}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 68   and name HE21))
      4.000     2.000     2.000 peak   222 spectrum    1 weight  0.10000E+01 volume  0.98279E-03 ppm1      1.878 ppm2      6.459 CV     1
 ASSI {  684}
   (( segid "    " and resid 18   and name HB2 ))
   (  segid "    " and resid 23   and name HD2%)
      2.400     0.700     0.700 peak   684 spectrum    1 weight  0.10000E+01 volume  0.93282E-03 ppm1      1.499 ppm2      0.243 CV     1
 ASSI {  816}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HB3 ))
      2.300     0.700     0.700 peak   816 spectrum    1 weight  0.10000E+01 volume  0.97003E-02 ppm1      4.472 ppm2      1.926 CV     1
 ASSI {  817}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HB2 ))
      2.100     0.500     0.500 peak   817 spectrum    1 weight  0.10000E+01 volume  0.75792E-02 ppm1      4.474 ppm2      2.063 CV     1
 ASSI {  818}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HG2 ))
      3.100     1.200     1.200 peak   818 spectrum    1 weight  0.10000E+01 volume  0.12882E-02 ppm1      4.471 ppm2      2.565 CV     1
 ASSI {  820}
   (( segid "    " and resid 87   and name HB3 ))
   (( segid "    " and resid 87   and name HB2 ))
      1.200     0.200     1.000 peak   820 spectrum    1 weight  0.10000E+01 volume  0.82276E-01 ppm1      1.934 ppm2      2.057 CV     1
 ASSI {  827}
   (( segid "    " and resid 87   and name HG3 ))
   (( segid "    " and resid 87   and name HA  ))
      3.900     1.900     1.900 peak   827 spectrum    1 weight  0.10000E+01 volume  0.14992E-02 ppm1      2.462 ppm2      4.469 CV     1
 ASSI {  829}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 86   and name HG2 ))
      3.100     1.200     1.200 peak   829 spectrum    1 weight  0.10000E+01 volume  0.56635E-02 ppm1      4.239 ppm2      1.355 CV     1
 ASSI {  830}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 86   and name HE2 ))
      5.300     3.500     0.700 peak   830 spectrum    1 weight  0.10000E+01 volume  0.49972E-03 ppm1      4.236 ppm2      2.906 CV     1
 OR {  830}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 86   and name HE3 ))
 ASSI {  831}
   (( segid "    " and resid 86   and name HB3 ))
   (( segid "    " and resid 86   and name HG3 ))
      2.200     0.600     0.600 peak   831 spectrum    1 weight  0.10000E+01 volume  0.78178E-02 ppm1      1.773 ppm2      1.361 CV     1
 ASSI {  832}
   (( segid "    " and resid 86   and name HB3 ))
   (( segid "    " and resid 86   and name HA  ))
      2.600     0.900     0.900 peak   832 spectrum    1 weight  0.10000E+01 volume  0.72181E-02 ppm1      1.773 ppm2      4.239 CV     1
 ASSI {  833}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 86   and name HA  ))
      2.200     0.600     0.600 peak   833 spectrum    1 weight  0.10000E+01 volume  0.80067E-02 ppm1      1.697 ppm2      4.234 CV     1
 ASSI {  834}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 78   and name HA  ))
      2.400     0.700     0.700 peak   834 spectrum    1 weight  0.10000E+01 volume  0.87341E-02 ppm1      1.664 ppm2      4.179 CV     1
 ASSI {  835}
   (( segid "    " and resid 86   and name HB3 ))
   (( segid "    " and resid 86   and name H   ))
      2.500     0.800     0.800 peak   835 spectrum    1 weight  0.10000E+01 volume  0.23321E-02 ppm1      1.778 ppm2      8.232 CV     1
 ASSI {  836}
   (( segid "    " and resid 86   and name HB3 ))
   (( segid "    " and resid 87   and name H   ))
      3.000     1.100     1.100 peak   836 spectrum    1 weight  0.10000E+01 volume  0.75514E-03 ppm1      1.773 ppm2      8.372 CV     1
 ASSI {  837}
   (( segid "    " and resid 86   and name HE3 ))
   (( segid "    " and resid 86   and name H   ))
      4.700     2.800     1.300 peak   837 spectrum    1 weight  0.10000E+01 volume  0.92727E-03 ppm1      2.919 ppm2      8.228 CV     1
 OR {  837}
   (( segid "    " and resid 86   and name HE2 ))
   (( segid "    " and resid 86   and name H   ))
 ASSI {  838}
   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 21   and name HA  ))
      2.800     1.000     1.000 peak   838 spectrum    1 weight  0.10000E+01 volume  0.26819E-02 ppm1      1.591 ppm2      3.789 CV     1
 OR {  838}
   (( segid "    " and resid 21   and name HD3 ))
   (( segid "    " and resid 21   and name HA  ))
 ASSI {  840}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 25   and name HE2 ))
      3.000     1.100     1.100 peak   840 spectrum    1 weight  0.10000E+01 volume  0.77846E-02 ppm1      1.389 ppm2      2.920 CV     1
 OR {  840}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 25   and name HE3 ))
 ASSI {  842}
   (( segid "    " and resid 85   and name HD2 ))
   (( segid "    " and resid 85   and name HA  ))
      3.300     1.400     1.400 peak   842 spectrum    1 weight  0.10000E+01 volume  0.36202E-02 ppm1      3.101 ppm2      4.245 CV     1
 OR {  842}
   (( segid "    " and resid 85   and name HD3 ))
   (( segid "    " and resid 85   and name HA  ))
 ASSI {  843}
   (( segid "    " and resid 85   and name HD3 ))
   (( segid "    " and resid 85   and name HG2 ))
      2.000     0.500     0.500 peak   843 spectrum    1 weight  0.10000E+01 volume  0.19117E-01 ppm1      3.100 ppm2      1.529 CV     1
 OR {  843}
   (( segid "    " and resid 85   and name HD2 ))
   (( segid "    " and resid 85   and name HG3 ))
 OR {  843}
   (( segid "    " and resid 85   and name HD2 ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {  843}
   (( segid "    " and resid 85   and name HD3 ))
   (( segid "    " and resid 85   and name HG3 ))
 ASSI {  844}
   (( segid "    " and resid 85   and name HB3 ))
   (( segid "    " and resid 85   and name HG2 ))
      1.800     0.400     0.400 peak   844 spectrum    1 weight  0.10000E+01 volume  0.29333E-01 ppm1      1.755 ppm2      1.530 CV     1
 OR {  844}
   (( segid "    " and resid 85   and name HB3 ))
   (( segid "    " and resid 85   and name HG3 ))
 ASSI {  845}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 85   and name HG2 ))
      2.000     0.500     0.500 peak   845 spectrum    1 weight  0.10000E+01 volume  0.27446E-01 ppm1      1.673 ppm2      1.528 CV     1
 OR {  845}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 85   and name HG3 ))
 ASSI {  846}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 85   and name HD3 ))
      2.300     0.700     0.700 peak   846 spectrum    1 weight  0.10000E+01 volume  0.43198E-02 ppm1      1.674 ppm2      3.100 CV     1
 OR {  846}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 85   and name HD2 ))
 ASSI {  847}
   (( segid "    " and resid 85   and name HB3 ))
   (( segid "    " and resid 85   and name HD3 ))
      3.000     1.100     1.100 peak   847 spectrum    1 weight  0.10000E+01 volume  0.60911E-02 ppm1      1.760 ppm2      3.085 CV     1
 OR {  847}
   (( segid "    " and resid 85   and name HB3 ))
   (( segid "    " and resid 85   and name HD2 ))
 ASSI {  848}
   (( segid "    " and resid 85   and name HB3 ))
   (( segid "    " and resid 85   and name HA  ))
      2.700     0.900     0.900 peak   848 spectrum    1 weight  0.10000E+01 volume  0.64576E-02 ppm1      1.755 ppm2      4.252 CV     1
 ASSI {  849}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 85   and name HA  ))
      2.200     0.600     0.600 peak   849 spectrum    1 weight  0.10000E+01 volume  0.65741E-02 ppm1      1.672 ppm2      4.252 CV     1
 ASSI {  852}
   (( segid "    " and resid 85   and name HB3 ))
   (( segid "    " and resid 86   and name H   ))
      4.300     2.300     1.700 peak   852 spectrum    1 weight  0.10000E+01 volume  0.10772E-02 ppm1      1.753 ppm2      8.243 CV     1
 ASSI {  853}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 86   and name H   ))
      3.400     1.400     1.400 peak   853 spectrum    1 weight  0.10000E+01 volume  0.12160E-02 ppm1      1.674 ppm2      8.242 CV     1
 ASSI {  857}
   (( segid "    " and resid 85   and name HG3 ))
   (( segid "    " and resid 85   and name HA  ))
      2.800     1.000     1.000 peak   857 spectrum    1 weight  0.10000E+01 volume  0.78901E-02 ppm1      1.538 ppm2      4.251 CV     1
 OR {  857}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 85   and name HA  ))
 ASSI {  859}
   (( segid "    " and resid 84   and name HB3 ))
   (( segid "    " and resid 84   and name HA  ))
      2.600     0.900     0.900 peak   859 spectrum    1 weight  0.10000E+01 volume  0.61854E-02 ppm1      1.571 ppm2      4.253 CV     1
 ASSI {  860}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 77   and name HD3 ))
      3.000     1.100     1.100 peak   860 spectrum    1 weight  0.10000E+01 volume  0.11327E-02 ppm1      0.794 ppm2      3.747 CV     1
 ASSI {  861}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 84   and name HA  ))
      3.300     1.400     1.400 peak   861 spectrum    1 weight  0.10000E+01 volume  0.54692E-02 ppm1      0.799 ppm2      4.236 CV     1
 ASSI {  862}
   (( segid "    " and resid 83   and name HB3 ))
   (( segid "    " and resid 83   and name HA  ))
      2.600     0.900     0.900 peak   862 spectrum    1 weight  0.10000E+01 volume  0.62577E-02 ppm1      2.025 ppm2      4.369 CV     1
 ASSI {  863}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 83   and name HA  ))
      2.400     0.700     0.700 peak   863 spectrum    1 weight  0.10000E+01 volume  0.51693E-02 ppm1      1.949 ppm2      4.368 CV     1
 ASSI {  864}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 83   and name HA  ))
      4.000     2.000     2.000 peak   864 spectrum    1 weight  0.10000E+01 volume  0.23986E-02 ppm1      2.517 ppm2      4.380 CV     1
 ASSI {  868}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 81   and name HB2 ))
      2.400     0.700     0.700 peak   868 spectrum    1 weight  0.10000E+01 volume  0.53194E-02 ppm1      4.428 ppm2      3.082 CV     1
 ASSI {  869}
   (( segid "    " and resid 81   and name HA  ))
   (  segid "    " and resid 81   and name HD% )
      3.500     1.500     1.500 peak   869 spectrum    1 weight  0.10000E+01 volume  0.30539E-02 ppm1      4.426 ppm2      7.098 CV     1
 ASSI {  872}
   (( segid "    " and resid 81   and name HB2 ))
   (  segid "    " and resid 81   and name HD% )
      2.500     0.800     0.800 peak   872 spectrum    1 weight  0.10000E+01 volume  0.48252E-02 ppm1      3.081 ppm2      7.098 CV     1
 ASSI {  877}
   (( segid "    " and resid 81   and name HB3 ))
   (  segid "    " and resid 81   and name HD% )
      2.800     0.900     0.900 peak   877 spectrum    1 weight  0.10000E+01 volume  0.43420E-02 ppm1      2.890 ppm2      7.099 CV     1
 ASSI {  878}
   (( segid "    " and resid 81   and name HB3 ))
   (( segid "    " and resid 81   and name HA  ))
      3.000     1.100     1.100 peak   878 spectrum    1 weight  0.10000E+01 volume  0.45031E-02 ppm1      2.892 ppm2      4.436 CV     1
 ASSI {  879}
   (( segid "    " and resid 9    and name HB3 ))
   (  segid "    " and resid 11   and name HG2%)
      4.600     2.600     1.400 peak   879 spectrum    1 weight  0.10000E+01 volume  0.77734E-03 ppm1      2.890 ppm2      1.077 CV     1
 ASSI {  880}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HB3 ))
      2.800     1.000     1.000 peak   880 spectrum    1 weight  0.10000E+01 volume  0.45641E-02 ppm1      4.625 ppm2      2.746 CV     1
 ASSI {  889}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 80   and name HA  ))
      2.600     0.800     0.800 peak   889 spectrum    1 weight  0.10000E+01 volume  0.31594E-02 ppm1      2.623 ppm2      4.627 CV     1
 ASSI {  890}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HB3 ))
      2.500     0.800     0.800 peak   890 spectrum    1 weight  0.10000E+01 volume  0.52748E-02 ppm1      4.246 ppm2      1.245 CV     1
 ASSI {  891}
   (( segid "    " and resid 79   and name HA  ))
   (  segid "    " and resid 79   and name HD1%)
      2.700     0.900     0.900 peak   891 spectrum    1 weight  0.10000E+01 volume  0.88729E-02 ppm1      4.246 ppm2      0.687 CV     1
 ASSI {  892}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HB2 ))
      2.300     0.700     0.700 peak   892 spectrum    1 weight  0.10000E+01 volume  0.74737E-02 ppm1      4.245 ppm2      1.434 CV     1
 OR {  892}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HG  ))
 ASSI {  894}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 80   and name HB3 ))
      4.100     2.100     1.900 peak   894 spectrum    1 weight  0.10000E+01 volume  0.70516E-03 ppm1      4.249 ppm2      2.755 CV     1
 ASSI {  895}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 80   and name HB2 ))
      3.700     1.700     1.700 peak   895 spectrum    1 weight  0.10000E+01 volume  0.68850E-03 ppm1      4.249 ppm2      2.611 CV     1
 ASSI {  896}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HB3 ))
      1.600     0.300     0.600 peak   896 spectrum    1 weight  0.10000E+01 volume  0.20705E-01 ppm1      1.433 ppm2      1.244 CV     1
 ASSI {  897}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HA  ))
      2.500     0.800     0.800 peak   897 spectrum    1 weight  0.10000E+01 volume  0.42477E-02 ppm1      1.433 ppm2      4.238 CV     1
 ASSI {  898}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name H   ))
      3.000     1.100     1.100 peak   898 spectrum    1 weight  0.10000E+01 volume  0.39645E-02 ppm1      1.433 ppm2      8.093 CV     1
 ASSI {  902}
   (( segid "    " and resid 79   and name HB3 ))
   (( segid "    " and resid 79   and name HB2 ))
      1.600     0.300     0.600 peak   902 spectrum    1 weight  0.10000E+01 volume  0.27130E-01 ppm1      1.245 ppm2      1.436 CV     1
 OR {  902}
   (( segid "    " and resid 79   and name HB3 ))
   (( segid "    " and resid 79   and name HG  ))
 ASSI {  903}
   (( segid "    " and resid 79   and name HG  ))
   (( segid "    " and resid 79   and name H   ))
      3.300     1.400     1.400 peak   903 spectrum    1 weight  0.10000E+01 volume  0.36758E-02 ppm1      1.444 ppm2      8.091 CV     1
 ASSI {  904}
   (( segid "    " and resid 72   and name HG  ))
   (( segid "    " and resid 72   and name H   ))
      3.600     1.600     1.600 peak   904 spectrum    1 weight  0.10000E+01 volume  0.23931E-02 ppm1      1.437 ppm2      8.002 CV     1
 ASSI {  905}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 79   and name HB2 ))
      1.900     0.400     0.400 peak   905 spectrum    1 weight  0.10000E+01 volume  0.23681E-01 ppm1      0.733 ppm2      1.426 CV     1
 OR {  905}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 79   and name HG  ))
 ASSI {  906}
   (  segid "    " and resid 79   and name HD2%)
   (( segid "    " and resid 79   and name HB3 ))
      2.900     1.000     1.000 peak   906 spectrum    1 weight  0.10000E+01 volume  0.14753E-01 ppm1      0.730 ppm2      1.243 CV     1
 ASSI {  907}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 22   and name H   ))
      3.400     1.500     1.500 peak   907 spectrum    1 weight  0.10000E+01 volume  0.27096E-02 ppm1      0.740 ppm2      7.225 CV     1
 ASSI {  908}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 79   and name HB3 ))
      2.700     0.900     0.900 peak   908 spectrum    1 weight  0.10000E+01 volume  0.53915E-02 ppm1      0.675 ppm2      1.250 CV     1
 ASSI {  909}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 79   and name HG  ))
      2.200     0.600     0.600 peak   909 spectrum    1 weight  0.10000E+01 volume  0.13387E-01 ppm1      0.674 ppm2      1.442 CV     1
 OR {  909}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 79   and name HB2 ))
 ASSI {  911}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 80   and name H   ))
      3.800     1.800     1.800 peak   911 spectrum    1 weight  0.10000E+01 volume  0.13937E-02 ppm1      0.670 ppm2      8.257 CV     1
 ASSI {  912}
   (  segid "    " and resid 79   and name HD1%)
   (( segid "    " and resid 79   and name H   ))
      2.700     0.900     0.900 peak   912 spectrum    1 weight  0.10000E+01 volume  0.15380E-02 ppm1      0.674 ppm2      8.091 CV     1
 ASSI {  913}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HE2 ))
      4.700     2.700     1.300 peak   913 spectrum    1 weight  0.10000E+01 volume  0.73293E-03 ppm1      4.205 ppm2      2.915 CV     1
 OR {  913}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HE3 ))
 ASSI {  914}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HB3 ))
      2.700     0.900     0.900 peak   914 spectrum    1 weight  0.10000E+01 volume  0.27041E-02 ppm1      4.219 ppm2      2.460 CV     1
 ASSI {  915}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HB2 ))
      2.800     1.000     1.000 peak   915 spectrum    1 weight  0.10000E+01 volume  0.36480E-02 ppm1      4.214 ppm2      2.604 CV     1
 ASSI {  916}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 78   and name HA  ))
      2.100     0.600     0.600 peak   916 spectrum    1 weight  0.10000E+01 volume  0.90839E-02 ppm1      1.721 ppm2      4.181 CV     1
 ASSI {  917}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 68   and name HA  ))
      2.100     0.600     0.600 peak   917 spectrum    1 weight  0.10000E+01 volume  0.17324E-02 ppm1      1.708 ppm2      3.997 CV     1
 ASSI {  918}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 68   and name HA  ))
      2.200     0.600     0.600 peak   918 spectrum    1 weight  0.10000E+01 volume  0.16269E-02 ppm1      1.675 ppm2      3.995 CV     1
 ASSI {  919}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 21   and name HG2 ))
      2.200     0.600     0.600 peak   919 spectrum    1 weight  0.10000E+01 volume  0.88618E-02 ppm1      1.671 ppm2      1.422 CV     1
 OR {  919}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HG2 ))
 ASSI {  920}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 20   and name HB3 ))
      3.100     1.200     1.200 peak   920 spectrum    1 weight  0.10000E+01 volume  0.12327E-02 ppm1      1.675 ppm2      2.613 CV     1
 OR {  920}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 20   and name HB3 ))
 OR {  920}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 20   and name HB2 ))
 OR {  920}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 20   and name HB2 ))
 ASSI {  923}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 25   and name H   ))
      4.700     2.800     1.300 peak   923 spectrum    1 weight  0.10000E+01 volume  0.10605E-02 ppm1      1.675 ppm2      7.645 CV     1
 ASSI {  924}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 25   and name HA  ))
      3.300     1.300     1.300 peak   924 spectrum    1 weight  0.10000E+01 volume  0.41866E-02 ppm1      1.387 ppm2      4.337 CV     1
 ASSI {  925}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 78   and name H   ))
      2.000     0.500     0.500 peak   925 spectrum    1 weight  0.10000E+01 volume  0.17841E-01 ppm1      4.333 ppm2      8.209 CV     1
 ASSI {  926}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HD3 ))
      2.900     1.000     1.000 peak   926 spectrum    1 weight  0.10000E+01 volume  0.13270E-02 ppm1      4.332 ppm2      3.740 CV     1
 ASSI {  927}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HD2 ))
      4.200     2.200     1.800 peak   927 spectrum    1 weight  0.10000E+01 volume  0.79956E-03 ppm1      4.327 ppm2      3.512 CV     1
 ASSI {  928}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HB3 ))
      2.000     0.500     0.500 peak   928 spectrum    1 weight  0.10000E+01 volume  0.14114E-01 ppm1      4.333 ppm2      2.169 CV     1
 ASSI {  929}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HG3 ))
      2.800     1.000     1.000 peak   929 spectrum    1 weight  0.10000E+01 volume  0.46863E-02 ppm1      4.334 ppm2      1.871 CV     1
 OR {  929}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HG2 ))
 ASSI {  930}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HB2 ))
      2.700     0.900     0.900 peak   930 spectrum    1 weight  0.10000E+01 volume  0.77068E-02 ppm1      4.332 ppm2      1.752 CV     1
 ASSI {  931}
   (( segid "    " and resid 77   and name HD3 ))
   (  segid "    " and resid 76   and name HD2%)
      1.900     0.500     0.500 peak   931 spectrum    1 weight  0.10000E+01 volume  0.31761E-02 ppm1      3.738 ppm2      0.788 CV     1
 ASSI {  932}
   (( segid "    " and resid 77   and name HD2 ))
   (  segid "    " and resid 76   and name HD2%)
      1.900     0.400     0.400 peak   932 spectrum    1 weight  0.10000E+01 volume  0.39201E-02 ppm1      3.501 ppm2      0.788 CV     1
 ASSI {  934}
   (( segid "    " and resid 77   and name HD3 ))
   (( segid "    " and resid 77   and name HG3 ))
      2.200     0.600     0.600 peak   934 spectrum    1 weight  0.10000E+01 volume  0.82955E-02 ppm1      3.739 ppm2      1.870 CV     1
 OR {  934}
   (( segid "    " and resid 77   and name HD3 ))
   (( segid "    " and resid 77   and name HG2 ))
 ASSI {  935}
   (( segid "    " and resid 77   and name HD3 ))
   (( segid "    " and resid 77   and name HB2 ))
      3.800     1.800     1.800 peak   935 spectrum    1 weight  0.10000E+01 volume  0.17157E-02 ppm1      3.735 ppm2      1.746 CV     1
 ASSI {  936}
   (( segid "    " and resid 77   and name HD2 ))
   (( segid "    " and resid 76   and name HB3 ))
      2.300     0.600     0.600 peak   936 spectrum    1 weight  0.10000E+01 volume  0.33870E-02 ppm1      3.502 ppm2      1.473 CV     1
 ASSI {  937}
   (( segid "    " and resid 77   and name HD3 ))
   (( segid "    " and resid 76   and name HB3 ))
      2.600     0.900     0.900 peak   937 spectrum    1 weight  0.10000E+01 volume  0.21154E-02 ppm1      3.737 ppm2      1.471 CV     1
 ASSI {  938}
   (( segid "    " and resid 77   and name HD3 ))
   (( segid "    " and resid 77   and name HB3 ))
      3.700     1.800     1.800 peak   938 spectrum    1 weight  0.10000E+01 volume  0.14881E-02 ppm1      3.735 ppm2      2.171 CV     1
 ASSI {  939}
   (( segid "    " and resid 77   and name HD2 ))
   (( segid "    " and resid 77   and name HB3 ))
      4.000     2.000     2.000 peak   939 spectrum    1 weight  0.10000E+01 volume  0.17880E-02 ppm1      3.502 ppm2      2.169 CV     1
 ASSI {  940}
   (( segid "    " and resid 77   and name HD3 ))
   (( segid "    " and resid 77   and name HD2 ))
      1.600     0.300     0.600 peak   940 spectrum    1 weight  0.10000E+01 volume  0.21804E-01 ppm1      3.739 ppm2      3.502 CV     1
 ASSI {  943}
   (( segid "    " and resid 77   and name HD2 ))
   (( segid "    " and resid 76   and name HA  ))
      2.600     0.800     0.800 peak   943 spectrum    1 weight  0.10000E+01 volume  0.91560E-02 ppm1      3.504 ppm2      4.534 CV     1
 ASSI {  948}
   (( segid "    " and resid 26   and name HB  ))
   (  segid "    " and resid 26   and name HG2%)
      2.400     0.700     0.700 peak   948 spectrum    1 weight  0.10000E+01 volume  0.48140E-02 ppm1      2.162 ppm2      0.691 CV     1
 ASSI {  950}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 77   and name HD2 ))
      3.100     1.200     1.200 peak   950 spectrum    1 weight  0.10000E+01 volume  0.36147E-02 ppm1      1.751 ppm2      3.510 CV     1
 ASSI {  951}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 77   and name HB3 ))
      2.300     0.600     0.600 peak   951 spectrum    1 weight  0.10000E+01 volume  0.89117E-02 ppm1      1.869 ppm2      2.172 CV     1
 OR {  951}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 77   and name HB3 ))
 ASSI {  952}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 77   and name HB2 ))
      2.200     0.600     0.600 peak   952 spectrum    1 weight  0.10000E+01 volume  0.11949E-01 ppm1      1.867 ppm2      1.739 CV     1
 OR {  952}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI {  953}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 77   and name HD2 ))
      2.300     0.600     0.600 peak   953 spectrum    1 weight  0.10000E+01 volume  0.74458E-02 ppm1      1.868 ppm2      3.505 CV     1
 OR {  953}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 77   and name HD2 ))
 ASSI {  958}
   (( segid "    " and resid 75   and name HB  ))
   (  segid "    " and resid 75   and name HG2%)
      1.900     0.500     0.500 peak   958 spectrum    1 weight  0.10000E+01 volume  0.29273E-01 ppm1      4.130 ppm2      1.138 CV     1
 ASSI {  960}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HB  ))
      2.100     0.600     0.600 peak   960 spectrum    1 weight  0.10000E+01 volume  0.16774E-01 ppm1      4.300 ppm2      4.135 CV     1
 ASSI {  961}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 75   and name HG2%)
      2.500     0.800     0.800 peak   961 spectrum    1 weight  0.10000E+01 volume  0.16374E-01 ppm1      4.299 ppm2      1.119 CV     1
 ASSI {  963}
   (( segid "    " and resid 74   and name HA2 ))
   (( segid "    " and resid 75   and name H   ))
      3.100     1.200     1.200 peak   963 spectrum    1 weight  0.10000E+01 volume  0.19934E-02 ppm1      3.956 ppm2      8.008 CV     1
 ASSI {  964}
   (( segid "    " and resid 74   and name HA3 ))
   (( segid "    " and resid 75   and name H   ))
      3.200     1.300     1.300 peak   964 spectrum    1 weight  0.10000E+01 volume  0.19545E-02 ppm1      3.918 ppm2      8.002 CV     1
 ASSI {  966}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HB3 ))
      2.700     0.900     0.900 peak   966 spectrum    1 weight  0.10000E+01 volume  0.73126E-02 ppm1      4.589 ppm2      3.196 CV     1
 ASSI {  967}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HB2 ))
      2.400     0.700     0.700 peak   967 spectrum    1 weight  0.10000E+01 volume  0.66020E-02 ppm1      4.590 ppm2      3.113 CV     1
 ASSI {  970}
   (( segid "    " and resid 73   and name HB3 ))
   (( segid "    " and resid 73   and name HD2 ))
      3.900     1.900     1.900 peak   970 spectrum    1 weight  0.10000E+01 volume  0.15491E-02 ppm1      3.195 ppm2      7.123 CV     1
 ASSI {  972}
   (( segid "    " and resid 73   and name HB3 ))
   (( segid "    " and resid 73   and name H   ))
      3.000     1.100     1.100 peak   972 spectrum    1 weight  0.10000E+01 volume  0.89949E-03 ppm1      3.196 ppm2      8.223 CV     1
 ASSI {  973}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name H   ))
      2.400     0.700     0.700 peak   973 spectrum    1 weight  0.10000E+01 volume  0.39034E-02 ppm1      4.201 ppm2      7.999 CV     1
 ASSI {  974}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HB3 ))
      2.500     0.800     0.800 peak   974 spectrum    1 weight  0.10000E+01 volume  0.66519E-02 ppm1      4.200 ppm2      1.502 CV     1
 ASSI {  975}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HB2 ))
      2.100     0.600     0.600 peak   975 spectrum    1 weight  0.10000E+01 volume  0.85286E-02 ppm1      4.200 ppm2      1.389 CV     1
 ASSI {  976}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 72   and name HD1%)
      2.900     1.000     1.000 peak   976 spectrum    1 weight  0.10000E+01 volume  0.14026E-01 ppm1      4.200 ppm2      0.743 CV     1
 ASSI {  978}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HB3 ))
      1.500     0.300     0.700 peak   978 spectrum    1 weight  0.10000E+01 volume  0.28030E-01 ppm1      1.382 ppm2      1.503 CV     1
 ASSI {  979}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 72   and name H   ))
      3.600     1.600     1.600 peak   979 spectrum    1 weight  0.10000E+01 volume  0.24652E-02 ppm1      0.784 ppm2      8.006 CV     1
 ASSI {  980}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 72   and name HG  ))
      1.900     0.500     0.500 peak   980 spectrum    1 weight  0.10000E+01 volume  0.20906E-01 ppm1      0.734 ppm2      1.431 CV     1
 ASSI {  982}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 72   and name H   ))
      3.500     1.600     1.600 peak   982 spectrum    1 weight  0.10000E+01 volume  0.24042E-02 ppm1      0.736 ppm2      8.003 CV     1
 ASSI {  983}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HE2 ))
      4.800     2.900     1.200 peak   983 spectrum    1 weight  0.10000E+01 volume  0.67185E-03 ppm1      4.152 ppm2      2.877 CV     1
 OR {  983}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HE3 ))
 ASSI {  984}
   (( segid "    " and resid 71   and name HE3 ))
   (( segid "    " and resid 71   and name HD2 ))
      1.800     0.400     0.400 peak   984 spectrum    1 weight  0.10000E+01 volume  0.36763E-01 ppm1      2.882 ppm2      1.562 CV     1
 OR {  984}
   (( segid "    " and resid 71   and name HE2 ))
   (( segid "    " and resid 71   and name HD3 ))
 OR {  984}
   (( segid "    " and resid 71   and name HE2 ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {  984}
   (( segid "    " and resid 71   and name HE3 ))
   (( segid "    " and resid 71   and name HD3 ))
 ASSI {  985}
   (( segid "    " and resid 71   and name HE2 ))
   (( segid "    " and resid 71   and name HG2 ))
      2.000     0.500     0.500 peak   985 spectrum    1 weight  0.10000E+01 volume  0.11122E-01 ppm1      2.883 ppm2      1.268 CV     1
 OR {  985}
   (( segid "    " and resid 71   and name HE3 ))
   (( segid "    " and resid 71   and name HG2 ))
 ASSI {  986}
   (( segid "    " and resid 71   and name HE2 ))
   (( segid "    " and resid 71   and name H   ))
      4.600     2.700     1.400 peak   986 spectrum    1 weight  0.10000E+01 volume  0.90505E-03 ppm1      2.881 ppm2      7.994 CV     1
 OR {  986}
   (( segid "    " and resid 71   and name HE3 ))
   (( segid "    " and resid 71   and name H   ))
 ASSI {  988}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 71   and name HA  ))
      2.300     0.600     0.600 peak   988 spectrum    1 weight  0.10000E+01 volume  0.39423E-02 ppm1      1.281 ppm2      4.151 CV     1
 ASSI {  989}
   (( segid "    " and resid 1    and name HA  ))
   (  segid "    " and resid 1    and name HD% )
      2.900     1.000     1.000 peak   989 spectrum    1 weight  0.10000E+01 volume  0.27762E-02 ppm1      4.116 ppm2      7.149 CV     1
 ASSI {  990}
   (( segid "    " and resid 24   and name HD3 ))
   (( segid "    " and resid 24   and name HB3 ))
      2.000     0.500     0.500 peak   990 spectrum    1 weight  0.10000E+01 volume  0.13026E-01 ppm1      3.079 ppm2      1.756 CV     1
 OR {  990}
   (( segid "    " and resid 24   and name HD3 ))
   (( segid "    " and resid 24   and name HG2 ))
 ASSI {  992}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 70   and name H   ))
      2.800     1.000     1.000 peak   992 spectrum    1 weight  0.10000E+01 volume  0.35369E-02 ppm1      1.762 ppm2      8.009 CV     1
 ASSI {  993}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 70   and name H   ))
      2.900     1.000     1.000 peak   993 spectrum    1 weight  0.10000E+01 volume  0.34037E-02 ppm1      1.710 ppm2      8.008 CV     1
 ASSI {  994}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 70   and name HA  ))
      2.500     0.800     0.800 peak   994 spectrum    1 weight  0.10000E+01 volume  0.50693E-02 ppm1      1.711 ppm2      4.126 CV     1
 ASSI {  995}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 70   and name HD3 ))
      3.400     1.400     1.400 peak   995 spectrum    1 weight  0.10000E+01 volume  0.39922E-02 ppm1      1.708 ppm2      3.062 CV     1
 OR {  995}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 70   and name HD2 ))
 ASSI {  996}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 70   and name HD3 ))
      2.500     0.800     0.800 peak   996 spectrum    1 weight  0.10000E+01 volume  0.65741E-02 ppm1      1.584 ppm2      3.061 CV     1
 OR {  996}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 70   and name HD2 ))
 ASSI {  997}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 70   and name HA  ))
      2.400     0.700     0.700 peak   997 spectrum    1 weight  0.10000E+01 volume  0.37146E-02 ppm1      1.586 ppm2      4.127 CV     1
 ASSI {  998}
   (( segid "    " and resid 70   and name HG3 ))
   (( segid "    " and resid 70   and name HA  ))
      3.300     1.400     1.400 peak   998 spectrum    1 weight  0.10000E+01 volume  0.38590E-02 ppm1      1.517 ppm2      4.126 CV     1
 ASSI {  999}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 70   and name H   ))
      3.700     1.700     1.700 peak   999 spectrum    1 weight  0.10000E+01 volume  0.21987E-02 ppm1      1.585 ppm2      8.011 CV     1
 ASSI { 1000}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name H   ))
      2.900     1.100     1.100 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.22877E-02 ppm1      4.026 ppm2      8.335 CV     1
 ASSI { 1001}
   (( segid "    " and resid 33   and name HG2 ))
   (  segid "    " and resid 31   and name HD1%)
      2.100     0.600     0.600 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.17213E-02 ppm1      2.227 ppm2      0.649 CV     1
 ASSI { 1002}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 31   and name HG  ))
      4.500     2.600     1.500 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.10661E-02 ppm1      2.226 ppm2      1.159 CV     1
 ASSI { 1003}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 33   and name HB3 ))
      2.400     0.700     0.700 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.39645E-02 ppm1      2.226 ppm2      1.645 CV     1
 ASSI { 1004}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 33   and name HA  ))
      4.000     2.000     2.000 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.19877E-02 ppm1      2.226 ppm2      4.337 CV     1
 ASSI { 1007}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 66   and name H   ))
      3.800     1.900     1.900 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.26652E-02 ppm1      2.124 ppm2      8.010 CV     1
 ASSI { 1008}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 66   and name H   ))
      2.600     0.900     0.900 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.47751E-02 ppm1      1.979 ppm2      8.011 CV     1
 ASSI { 1009}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 66   and name H   ))
      2.800     1.000     1.000 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.48806E-02 ppm1      1.924 ppm2      8.008 CV     1
 ASSI { 1010}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 69   and name H   ))
      2.900     1.000     1.000 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.29427E-02 ppm1      1.976 ppm2      8.333 CV     1
 ASSI { 1011}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 69   and name H   ))
      3.500     1.500     1.500 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.32315E-02 ppm1      1.916 ppm2      8.334 CV     1
 ASSI { 1012}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HB2 ))
      2.500     0.800     0.800 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.49750E-02 ppm1      3.989 ppm2      1.870 CV     1
 OR { 1012}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HG2 ))
 ASSI { 1016}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 69   and name H   ))
      3.100     1.200     1.200 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.19045E-02 ppm1      3.989 ppm2      8.343 CV     1
 ASSI { 1018}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 68   and name H   ))
      4.200     2.300     1.800 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.80511E-03 ppm1      1.881 ppm2      7.926 CV     1
 ASSI { 1019}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 68   and name HA  ))
      4.600     2.600     1.400 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.10328E-02 ppm1      1.889 ppm2      3.995 CV     1
 ASSI { 1020}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 25   and name HE2 ))
      2.500     0.800     0.800 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.64464E-02 ppm1      1.677 ppm2      2.931 CV     1
 OR { 1020}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 25   and name HE3 ))
 ASSI { 1021}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HA  ))
      2.800     1.000     1.000 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.23321E-02 ppm1      1.862 ppm2      3.994 CV     1
 ASSI { 1022}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name H   ))
      4.000     2.000     2.000 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.12549E-02 ppm1      1.866 ppm2      7.916 CV     1
 ASSI { 1023}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB3 ))
      3.000     1.200     1.200 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.43642E-02 ppm1      4.446 ppm2      3.087 CV     1
 ASSI { 1024}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name H   ))
      3.500     1.600     1.600 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.24320E-02 ppm1      3.160 ppm2      7.913 CV     1
 ASSI { 1025}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 67   and name H   ))
      2.900     1.000     1.000 peak  1025 spectrum    1 weight  0.10000E+01 volume  0.25542E-02 ppm1      3.083 ppm2      7.906 CV     1
 ASSI { 1026}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HA  ))
      2.700     0.900     0.900 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.27430E-02 ppm1      3.163 ppm2      4.446 CV     1
 ASSI { 1028}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 64   and name HA  ))
      2.300     0.700     0.700 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.10217E-02 ppm1      3.078 ppm2      4.277 CV     1
 ASSI { 1029}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 66   and name HG2 ))
      1.500     0.300     0.700 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.34875E-01 ppm1      2.273 ppm2      2.120 CV     1
 ASSI { 1030}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 66   and name HA  ))
      3.000     1.100     1.100 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.35536E-02 ppm1      2.274 ppm2      4.044 CV     1
 ASSI { 1031}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 66   and name H   ))
      3.500     1.500     1.500 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.24042E-02 ppm1      2.272 ppm2      8.011 CV     1
 ASSI { 1032}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 49   and name HA  ))
      2.700     0.900     0.900 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.53638E-02 ppm1      1.925 ppm2      4.460 CV     1
 ASSI { 1036}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HB2 ))
      2.900     1.100     1.100 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.16602E-02 ppm1      4.153 ppm2      3.140 CV     1
 ASSI { 1037}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 68   and name HG2 ))
      3.900     1.900     1.900 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.83287E-03 ppm1      4.137 ppm2      1.886 CV     1
 ASSI { 1042}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 65   and name H   ))
      3.900     1.900     1.900 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.10328E-02 ppm1      3.137 ppm2      8.122 CV     1
 ASSI { 1043}
   (( segid "    " and resid 65   and name HB3 ))
   (( segid "    " and resid 65   and name H   ))
      3.300     1.400     1.400 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.10938E-02 ppm1      2.997 ppm2      8.122 CV     1
 ASSI { 1047}
   (( segid "    " and resid 65   and name HB3 ))
   (( segid "    " and resid 65   and name HA  ))
      3.600     1.600     1.600 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.15658E-02 ppm1      3.002 ppm2      4.152 CV     1
 ASSI { 1048}
   (( segid "    " and resid 65   and name HB3 ))
   (( segid "    " and resid 65   and name HB2 ))
      2.200     0.600     0.600 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.48417E-02 ppm1      3.001 ppm2      3.139 CV     1
 ASSI { 1050}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 65   and name H   ))
      3.600     1.600     1.600 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.79956E-03 ppm1      4.283 ppm2      8.140 CV     1
 ASSI { 1052}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HD1 ))
      4.200     2.200     1.800 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.81065E-03 ppm1      4.286 ppm2      6.853 CV     1
 ASSI { 1053}
   (( segid "    " and resid 64   and name HB3 ))
   (  segid "    " and resid 61   and name HD1%)
      2.500     0.800     0.800 peak  1053 spectrum    1 weight  0.10000E+01 volume  0.69406E-03 ppm1      3.018 ppm2      0.484 CV     1
 ASSI { 1054}
   (( segid "    " and resid 64   and name HB3 ))
   (( segid "    " and resid 64   and name HA  ))
      3.500     1.500     1.500 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.14714E-02 ppm1      3.024 ppm2      4.282 CV     1
 ASSI { 1055}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 64   and name HA  ))
      3.000     1.100     1.100 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.14714E-02 ppm1      3.113 ppm2      4.278 CV     1
 ASSI { 1056}
   (( segid "    " and resid 64   and name HB3 ))
   (( segid "    " and resid 64   and name HD1 ))
      3.700     1.700     1.700 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.53860E-03 ppm1      3.018 ppm2      6.835 CV     1
 ASSI { 1059}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HG2 ))
      2.500     0.800     0.800 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.48252E-02 ppm1      4.079 ppm2      2.239 CV     1
 OR { 1059}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HG3 ))
 ASSI { 1060}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name H   ))
      2.800     1.000     1.000 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.26707E-02 ppm1      4.079 ppm2      7.847 CV     1
 ASSI { 1061}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 64   and name H   ))
      3.400     1.400     1.400 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.14936E-02 ppm1      4.082 ppm2      7.715 CV     1
 ASSI { 1063}
   (( segid "    " and resid 63   and name HG2 ))
   (( segid "    " and resid 63   and name H   ))
      3.700     1.700     1.700 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.18878E-02 ppm1      2.229 ppm2      7.843 CV     1
 OR { 1063}
   (( segid "    " and resid 63   and name HG3 ))
   (( segid "    " and resid 63   and name H   ))
 ASSI { 1064}
   (( segid "    " and resid 63   and name HB3 ))
   (( segid "    " and resid 63   and name HG3 ))
      2.700     0.900     0.900 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.55747E-02 ppm1      2.013 ppm2      2.227 CV     1
 OR { 1064}
   (( segid "    " and resid 63   and name HB3 ))
   (( segid "    " and resid 63   and name HG2 ))
 ASSI { 1065}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 63   and name HG3 ))
      2.300     0.700     0.700 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.59689E-02 ppm1      1.945 ppm2      2.226 CV     1
 OR { 1065}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 63   and name HG2 ))
 ASSI { 1066}
   (( segid "    " and resid 63   and name HB3 ))
   (( segid "    " and resid 63   and name HA  ))
      3.000     1.200     1.200 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.35481E-02 ppm1      2.006 ppm2      4.082 CV     1
 ASSI { 1067}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 63   and name HA  ))
      2.600     0.900     0.900 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.35369E-02 ppm1      1.948 ppm2      4.082 CV     1
 ASSI { 1068}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 60   and name HA  ))
      2.300     0.700     0.700 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.10383E-02 ppm1      1.953 ppm2      4.352 CV     1
 ASSI { 1069}
   (( segid "    " and resid 63   and name HB3 ))
   (( segid "    " and resid 64   and name H   ))
      3.800     1.800     1.800 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.11160E-02 ppm1      2.013 ppm2      7.711 CV     1
 ASSI { 1070}
   (( segid "    " and resid 63   and name HB3 ))
   (( segid "    " and resid 63   and name H   ))
      2.900     1.100     1.100 peak  1070 spectrum    1 weight  0.10000E+01 volume  0.21655E-02 ppm1      2.012 ppm2      7.846 CV     1
 ASSI { 1071}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 63   and name H   ))
      3.000     1.100     1.100 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.22211E-02 ppm1      1.951 ppm2      7.835 CV     1
 ASSI { 1074}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 64   and name HB3 ))
      3.900     1.900     1.900 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.89949E-03 ppm1      4.109 ppm2      3.023 CV     1
 ASSI { 1075}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 62   and name HA  ))
      2.400     0.700     0.700 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.83843E-02 ppm1      3.930 ppm2      4.117 CV     1
 OR { 1075}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 62   and name HA  ))
 ASSI { 1076}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 59   and name HA  ))
      2.100     0.500     0.500 peak  1076 spectrum    1 weight  0.10000E+01 volume  0.20433E-02 ppm1      3.927 ppm2      4.409 CV     1
 OR { 1076}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 59   and name HA  ))
 ASSI { 1078}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 62   and name H   ))
      2.400     0.700     0.700 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.56914E-02 ppm1      3.929 ppm2      7.643 CV     1
 OR { 1078}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 62   and name H   ))
 ASSI { 1080}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HG  ))
      3.900     1.900     1.900 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.11160E-02 ppm1      4.004 ppm2      1.225 CV     1
 ASSI { 1081}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 48   and name HB% )
      2.000     0.500     0.500 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.15358E-01 ppm1      3.993 ppm2      1.417 CV     1
 ASSI { 1083}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 27   and name HG2%)
      2.400     0.700     0.700 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.94392E-03 ppm1      3.997 ppm2      0.867 CV     1
 ASSI { 1086}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 52   and name HG12))
      2.600     0.800     0.800 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.45697E-02 ppm1      1.500 ppm2      1.255 CV     1
 ASSI { 1087}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HG  ))
      2.700     0.900     0.900 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.23654E-02 ppm1      1.382 ppm2      1.225 CV     1
 ASSI { 1091}
   (( segid "    " and resid 61   and name HG  ))
   (( segid "    " and resid 61   and name H   ))
      4.300     2.300     1.700 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.11771E-02 ppm1      1.222 ppm2      7.543 CV     1
 ASSI { 1093}
   (( segid "    " and resid 61   and name HG  ))
   (  segid "    " and resid 61   and name HD2%)
      2.600     0.800     0.800 peak  1093 spectrum    1 weight  0.10000E+01 volume  0.35147E-02 ppm1      1.226 ppm2      0.356 CV     1
 ASSI { 1094}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 61   and name HD2%)
      2.500     0.800     0.800 peak  1094 spectrum    1 weight  0.10000E+01 volume  0.11438E-01 ppm1      0.466 ppm2      0.340 CV     1
 ASSI { 1096}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 61   and name HB2 ))
      3.400     1.400     1.400 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.50860E-02 ppm1      0.475 ppm2      1.387 CV     1
 ASSI { 1097}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 61   and name HB3 ))
      2.600     0.800     0.800 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.33870E-02 ppm1      0.468 ppm2      1.518 CV     1
 ASSI { 1098}
   (  segid "    " and resid 23   and name HD1%)
   (( segid "    " and resid 20   and name HB3 ))
      2.300     0.600     0.600 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.12382E-02 ppm1      0.468 ppm2      2.603 CV     1
 OR { 1098}
   (  segid "    " and resid 23   and name HD1%)
   (( segid "    " and resid 20   and name HB2 ))
 ASSI { 1100}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 61   and name HA  ))
      3.700     1.700     1.700 peak  1100 spectrum    1 weight  0.10000E+01 volume  0.30038E-02 ppm1      0.467 ppm2      4.006 CV     1
 ASSI { 1101}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 56   and name HA  ))
      2.100     0.600     0.600 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.17268E-02 ppm1      0.468 ppm2      4.327 CV     1
 ASSI { 1102}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 43   and name HD% )
      2.000     0.500     0.500 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.28484E-02 ppm1      0.466 ppm2      6.871 CV     1
 ASSI { 1103}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 65   and name HE% )
      2.100     0.600     0.600 peak  1103 spectrum    1 weight  0.10000E+01 volume  0.17823E-02 ppm1      0.465 ppm2      7.050 CV     1
 ASSI { 1105}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 61   and name HA  ))
      2.500     0.800     0.800 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.34815E-02 ppm1      0.358 ppm2      4.006 CV     1
 ASSI { 1107}
   (  segid "    " and resid 61   and name HD2%)
   (  segid "    " and resid 65   and name HE% )
      2.100     0.500     0.500 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.21099E-02 ppm1      0.357 ppm2      7.058 CV     1
 ASSI { 1108}
   (  segid "    " and resid 61   and name HD2%)
   (  segid "    " and resid 43   and name HD% )
      2.000     0.500     0.500 peak  1108 spectrum    1 weight  0.10000E+01 volume  0.23654E-02 ppm1      0.357 ppm2      6.869 CV     1
 ASSI { 1109}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 43   and name HB3 ))
      2.200     0.600     0.600 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.16158E-02 ppm1      0.359 ppm2      2.599 CV     1
 OR { 1109}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 43   and name HB2 ))
 ASSI { 1110}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 61   and name HB3 ))
      3.400     1.400     1.400 peak  1110 spectrum    1 weight  0.10000E+01 volume  0.33870E-02 ppm1      0.358 ppm2      1.525 CV     1
 ASSI { 1111}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 61   and name HB2 ))
      3.200     1.300     1.300 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.26819E-02 ppm1      0.356 ppm2      1.378 CV     1
 ASSI { 1113}
   (  segid "    " and resid 61   and name HD2%)
   (  segid "    " and resid 29   and name HG1%)
      1.800     0.400     0.400 peak  1113 spectrum    1 weight  0.10000E+01 volume  0.49639E-02 ppm1      0.356 ppm2      0.741 CV     1
 ASSI { 1117}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 62   and name H   ))
      4.600     2.700     1.400 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.63298E-03 ppm1      4.348 ppm2      7.648 CV     1
 ASSI { 1118}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HB3 ))
      3.200     1.300     1.300 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.26986E-02 ppm1      4.357 ppm2      3.912 CV     1
 ASSI { 1119}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HB2 ))
      2.800     1.000     1.000 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.20822E-02 ppm1      4.355 ppm2      3.649 CV     1
 ASSI { 1120}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 60   and name H   ))
      4.100     2.100     1.900 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.10328E-02 ppm1      3.642 ppm2      8.716 CV     1
 ASSI { 1122}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 60   and name H   ))
      3.800     1.800     1.800 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.75514E-03 ppm1      4.418 ppm2      8.715 CV     1
 ASSI { 1124}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 61   and name H   ))
      4.500     2.500     1.500 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.77734E-03 ppm1      4.420 ppm2      7.535 CV     1
 ASSI { 1125}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HD3 ))
      3.900     1.900     1.900 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.10772E-02 ppm1      4.413 ppm2      4.046 CV     1
 ASSI { 1127}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HD2 ))
      3.800     1.800     1.800 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.82733E-03 ppm1      4.417 ppm2      3.658 CV     1
 ASSI { 1128}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HB3 ))
      2.300     0.700     0.700 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.77512E-02 ppm1      4.415 ppm2      2.391 CV     1
 ASSI { 1129}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HB2 ))
      2.600     0.800     0.800 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.72460E-02 ppm1      4.416 ppm2      1.994 CV     1
 OR { 1129}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HG2 ))
 ASSI { 1130}
   (( segid "    " and resid 59   and name HD3 ))
   (( segid "    " and resid 58   and name HA  ))
      2.700     0.900     0.900 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.24709E-02 ppm1      4.040 ppm2      4.693 CV     1
 ASSI { 1131}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 58   and name HA  ))
      4.100     2.100     1.900 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.21433E-02 ppm1      3.658 ppm2      4.691 CV     1
 ASSI { 1133}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 59   and name HD3 ))
      2.200     0.600     0.600 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.42809E-02 ppm1      3.655 ppm2      4.039 CV     1
 ASSI { 1135}
   (( segid "    " and resid 59   and name HD3 ))
   (( segid "    " and resid 59   and name HB3 ))
      3.600     1.600     1.600 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.13715E-02 ppm1      4.039 ppm2      2.390 CV     1
 ASSI { 1136}
   (( segid "    " and resid 59   and name HD3 ))
   (( segid "    " and resid 59   and name HG2 ))
      3.100     1.200     1.200 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.35369E-02 ppm1      4.039 ppm2      1.994 CV     1
 OR { 1136}
   (( segid "    " and resid 59   and name HD3 ))
   (( segid "    " and resid 59   and name HB2 ))
 ASSI { 1137}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 59   and name HG3 ))
      3.400     1.400     1.400 peak  1137 spectrum    1 weight  0.10000E+01 volume  0.23154E-02 ppm1      3.658 ppm2      2.047 CV     1
 ASSI { 1138}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 59   and name HG2 ))
      2.600     0.900     0.900 peak  1138 spectrum    1 weight  0.10000E+01 volume  0.30317E-02 ppm1      3.654 ppm2      1.980 CV     1
 OR { 1138}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 59   and name HB2 ))
 ASSI { 1140}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HA  ))
      2.600     0.900     0.900 peak  1140 spectrum    1 weight  0.10000E+01 volume  0.55358E-02 ppm1      1.996 ppm2      4.410 CV     1
 ASSI { 1142}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HD3 ))
      4.000     2.000     2.000 peak  1142 spectrum    1 weight  0.10000E+01 volume  0.16602E-02 ppm1      1.992 ppm2      4.039 CV     1
 ASSI { 1143}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 59   and name HD2 ))
      3.900     1.900     1.900 peak  1143 spectrum    1 weight  0.10000E+01 volume  0.14714E-02 ppm1      2.392 ppm2      3.661 CV     1
 ASSI { 1144}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HD2 ))
      3.700     1.700     1.700 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.16602E-02 ppm1      1.996 ppm2      3.652 CV     1
 ASSI { 1146}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 59   and name HB2 ))
      1.700     0.300     0.500 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.18661E-01 ppm1      2.391 ppm2      1.992 CV     1
 ASSI { 1147}
   (( segid "    " and resid 59   and name HG3 ))
   (( segid "    " and resid 59   and name HB3 ))
      2.500     0.800     0.800 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.38311E-02 ppm1      2.069 ppm2      2.391 CV     1
 ASSI { 1148}
   (( segid "    " and resid 57   and name HB3 ))
   (( segid "    " and resid 57   and name HB2 ))
      1.900     0.500     0.500 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.12254E-01 ppm1      1.961 ppm2      2.392 CV     1
 OR { 1148}
   (( segid "    " and resid 57   and name HB3 ))
   (( segid "    " and resid 57   and name HG2 ))
 OR { 1148}
   (( segid "    " and resid 57   and name HB3 ))
   (( segid "    " and resid 57   and name HG3 ))
 ASSI { 1149}
   (( segid "    " and resid 59   and name HG3 ))
   (( segid "    " and resid 59   and name HD3 ))
      2.600     0.800     0.800 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.27819E-02 ppm1      2.072 ppm2      4.039 CV     1
 ASSI { 1150}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 59   and name HD3 ))
      3.300     1.400     1.400 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.20156E-02 ppm1      1.974 ppm2      4.039 CV     1
 ASSI { 1151}
   (( segid "    " and resid 59   and name HG3 ))
   (( segid "    " and resid 59   and name HA  ))
      3.700     1.700     1.700 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.26874E-02 ppm1      2.074 ppm2      4.425 CV     1
 ASSI { 1152}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 59   and name HA  ))
      3.600     1.600     1.600 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.24874E-02 ppm1      1.973 ppm2      4.415 CV     1
 ASSI { 1153}
   (( segid "    " and resid 59   and name HG3 ))
   (( segid "    " and resid 58   and name HA  ))
      4.500     2.500     1.500 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.74403E-03 ppm1      2.071 ppm2      4.695 CV     1
 ASSI { 1154}
   (( segid "    " and resid 59   and name HG3 ))
   (( segid "    " and resid 60   and name H   ))
      5.500     3.800     0.500 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.62743E-03 ppm1      2.072 ppm2      8.714 CV     1
 ASSI { 1155}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 60   and name H   ))
      4.300     2.400     1.700 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.78846E-03 ppm1      1.968 ppm2      8.713 CV     1
 ASSI { 1157}
   (( segid "    " and resid 58   and name HB2 ))
   (  segid "    " and resid 54   and name HG2%)
      2.200     0.600     0.600 peak  1157 spectrum    1 weight  0.10000E+01 volume  0.15269E-02 ppm1      2.806 ppm2      1.218 CV     1
 ASSI { 1158}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 58   and name HB2 ))
      2.600     0.800     0.800 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.17880E-02 ppm1      3.054 ppm2      2.802 CV     1
 ASSI { 1162}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HG2 ))
      2.200     0.600     0.600 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.10067E-01 ppm1      4.501 ppm2      2.394 CV     1
 OR { 1162}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HB2 ))
 OR { 1162}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HG3 ))
 ASSI { 1163}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name H   ))
      3.000     1.100     1.100 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.18878E-02 ppm1      4.494 ppm2     10.604 CV     1
 ASSI { 1164}
   (( segid "    " and resid 57   and name HG3 ))
   (( segid "    " and resid 57   and name H   ))
      3.800     1.800     1.800 peak  1164 spectrum    1 weight  0.10000E+01 volume  0.17823E-02 ppm1      2.392 ppm2     10.615 CV     1
 OR { 1164}
   (( segid "    " and resid 57   and name HG2 ))
   (( segid "    " and resid 57   and name H   ))
 ASSI { 1165}
   (( segid "    " and resid 57   and name HG2 ))
   (( segid "    " and resid 57   and name HB3 ))
      2.600     0.900     0.900 peak  1165 spectrum    1 weight  0.10000E+01 volume  0.66297E-02 ppm1      2.392 ppm2      1.959 CV     1
 OR { 1165}
   (( segid "    " and resid 57   and name HG3 ))
   (( segid "    " and resid 57   and name HB3 ))
 ASSI { 1166}
   (( segid "    " and resid 57   and name HG2 ))
   (( segid "    " and resid 57   and name HA  ))
      2.400     0.700     0.700 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.50917E-02 ppm1      2.393 ppm2      4.498 CV     1
 OR { 1166}
   (( segid "    " and resid 57   and name HG3 ))
   (( segid "    " and resid 57   and name HA  ))
 ASSI { 1167}
   (( segid "    " and resid 57   and name HG2 ))
   (( segid "    " and resid 57   and name HE22))
      4.300     2.300     1.700 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.12327E-02 ppm1      2.401 ppm2      6.853 CV     1
 OR { 1167}
   (( segid "    " and resid 57   and name HG3 ))
   (( segid "    " and resid 57   and name HE22))
 ASSI { 1168}
   (( segid "    " and resid 57   and name HG2 ))
   (( segid "    " and resid 57   and name HE21))
      2.800     1.000     1.000 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.17324E-02 ppm1      2.388 ppm2      7.555 CV     1
 OR { 1168}
   (( segid "    " and resid 57   and name HG3 ))
   (( segid "    " and resid 57   and name HE21))
 ASSI { 1169}
   (( segid "    " and resid 57   and name HG3 ))
   (( segid "    " and resid 55   and name HE1 ))
      2.000     0.500     0.500 peak  1169 spectrum    1 weight  0.10000E+01 volume  0.24375E-02 ppm1      2.392 ppm2      7.762 CV     1
 OR { 1169}
   (( segid "    " and resid 57   and name HG2 ))
   (( segid "    " and resid 55   and name HE1 ))
 ASSI { 1170}
   (( segid "    " and resid 57   and name HG2 ))
   (( segid "    " and resid 58   and name H   ))
      4.100     2.100     1.900 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.67740E-03 ppm1      2.377 ppm2      8.284 CV     1
 OR { 1170}
   (( segid "    " and resid 57   and name HG3 ))
   (( segid "    " and resid 58   and name H   ))
 ASSI { 1171}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 57   and name H   ))
      3.300     1.300     1.300 peak  1171 spectrum    1 weight  0.10000E+01 volume  0.98833E-03 ppm1      2.397 ppm2     10.613 CV     1
 ASSI { 1172}
   (( segid "    " and resid 57   and name HB3 ))
   (( segid "    " and resid 57   and name H   ))
      3.800     1.800     1.800 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.10994E-02 ppm1      1.955 ppm2     10.615 CV     1
 ASSI { 1173}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 57   and name HB3 ))
      2.000     0.500     0.500 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.65963E-02 ppm1      2.393 ppm2      1.959 CV     1
 ASSI { 1174}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 57   and name HA  ))
      3.000     1.100     1.100 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.30761E-02 ppm1      2.392 ppm2      4.500 CV     1
 ASSI { 1175}
   (( segid "    " and resid 57   and name HB3 ))
   (( segid "    " and resid 57   and name HA  ))
      2.900     1.100     1.100 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.26540E-02 ppm1      1.961 ppm2      4.502 CV     1
 ASSI { 1176}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 55   and name HE1 ))
      2.200     0.600     0.600 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.14325E-02 ppm1      2.391 ppm2      7.767 CV     1
 ASSI { 1177}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 58   and name H   ))
      5.100     3.300     0.900 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.65519E-03 ppm1      2.397 ppm2      8.261 CV     1
 ASSI { 1181}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HG3 ))
      4.200     2.200     1.800 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.13215E-02 ppm1      4.322 ppm2      1.682 CV     1
 ASSI { 1182}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HB3 ))
      2.700     0.900     0.900 peak  1182 spectrum    1 weight  0.10000E+01 volume  0.30983E-02 ppm1      4.325 ppm2      1.839 CV     1
 ASSI { 1183}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HB2 ))
      2.800     1.000     1.000 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.36536E-02 ppm1      4.324 ppm2      2.054 CV     1
 ASSI { 1184}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HD3 ))
      4.100     2.100     1.900 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.78290E-03 ppm1      4.324 ppm2      2.321 CV     1
 ASSI { 1185}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 43   and name HD% )
      1.900     0.500     0.500 peak  1185 spectrum    1 weight  0.10000E+01 volume  0.31095E-02 ppm1      4.328 ppm2      6.881 CV     1
 ASSI { 1186}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 43   and name HE% )
      2.100     0.500     0.500 peak  1186 spectrum    1 weight  0.10000E+01 volume  0.21822E-02 ppm1      4.328 ppm2      7.171 CV     1
 ASSI { 1192}
   (( segid "    " and resid 56   and name HD3 ))
   (( segid "    " and resid 56   and name HB3 ))
      3.800     1.800     1.800 peak  1192 spectrum    1 weight  0.10000E+01 volume  0.91061E-03 ppm1      2.328 ppm2      1.848 CV     1
 ASSI { 1193}
   (( segid "    " and resid 56   and name HD2 ))
   (( segid "    " and resid 56   and name HD3 ))
      2.400     0.700     0.700 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.25485E-02 ppm1      3.656 ppm2      2.322 CV     1
 ASSI { 1197}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 15   and name HD3 ))
      3.600     1.600     1.600 peak  1197 spectrum    1 weight  0.10000E+01 volume  0.23266E-02 ppm1      1.839 ppm2      2.827 CV     1
 ASSI { 1198}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 56   and name HG3 ))
      3.000     1.100     1.100 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.29372E-02 ppm1      2.049 ppm2      1.692 CV     1
 ASSI { 1199}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 56   and name HG3 ))
      2.000     0.500     0.500 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.60744E-02 ppm1      1.371 ppm2      1.687 CV     1
 ASSI { 1200}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 56   and name HB3 ))
      2.900     1.100     1.100 peak  1200 spectrum    1 weight  0.10000E+01 volume  0.57358E-02 ppm1      1.377 ppm2      1.840 CV     1
 ASSI { 1201}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 56   and name HB2 ))
      2.700     0.900     0.900 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.18045E-02 ppm1      1.370 ppm2      2.054 CV     1
 ASSI { 1202}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 56   and name HD3 ))
      3.400     1.400     1.400 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.17546E-02 ppm1      1.374 ppm2      2.315 CV     1
 ASSI { 1203}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 56   and name HD3 ))
      2.600     0.900     0.900 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.22488E-02 ppm1      1.686 ppm2      2.313 CV     1
 ASSI { 1204}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 56   and name HD2 ))
      2.800     1.000     1.000 peak  1204 spectrum    1 weight  0.10000E+01 volume  0.16213E-02 ppm1      1.377 ppm2      3.650 CV     1
 ASSI { 1205}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 56   and name HD2 ))
      3.600     1.600     1.600 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.16769E-02 ppm1      1.685 ppm2      3.656 CV     1
 ASSI { 1206}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 24   and name HA  ))
      3.100     1.200     1.200 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.27984E-02 ppm1      1.682 ppm2      4.130 CV     1
 ASSI { 1207}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 56   and name HA  ))
      3.400     1.400     1.400 peak  1207 spectrum    1 weight  0.10000E+01 volume  0.36424E-02 ppm1      1.374 ppm2      4.342 CV     1
 ASSI { 1210}
   (  segid "    " and resid 65   and name HD% )
   (( segid "    " and resid 65   and name HA  ))
      3.200     1.200     1.200 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.23820E-02 ppm1      7.169 ppm2      4.141 CV     1
 ASSI { 1212}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HA  ))
      3.100     1.200     1.200 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.14603E-02 ppm1      2.604 ppm2      5.119 CV     1
 OR { 1212}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 43   and name HA  ))
 ASSI { 1214}
   (  segid "    " and resid 43   and name HD% )
   (( segid "    " and resid 43   and name HB2 ))
      3.000     1.100     1.100 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.19989E-02 ppm1      6.880 ppm2      2.600 CV     1
 OR { 1214}
   (  segid "    " and resid 43   and name HD% )
   (( segid "    " and resid 43   and name HB3 ))
 ASSI { 1217}
   (  segid "    " and resid 43   and name HD% )
   (  segid "    " and resid 43   and name HE% )
      2.200     0.600     0.600 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.12715E-01 ppm1      6.879 ppm2      7.170 CV     1
 ASSI { 1218}
   (( segid "    " and resid 1    and name HB3 ))
   (  segid "    " and resid 1    and name HD% )
      2.700     0.900     0.900 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.37812E-02 ppm1      3.120 ppm2      7.152 CV     1
 ASSI { 1219}
   (( segid "    " and resid 1    and name HB2 ))
   (  segid "    " and resid 1    and name HD% )
      2.600     0.800     0.800 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.35259E-02 ppm1      3.047 ppm2      7.152 CV     1
 ASSI { 1220}
   (  segid "    " and resid 1    and name HE% )
   (  segid "    " and resid 1    and name HD% )
      1.800     0.400     0.400 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.40600E-01 ppm1      7.285 ppm2      7.158 CV     1
 ASSI { 1221}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HB3 ))
      3.200     1.200     1.200 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.11383E-02 ppm1      4.331 ppm2      2.696 CV     1
 ASSI { 1222}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB3 ))
      2.600     0.900     0.900 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.25874E-02 ppm1      4.333 ppm2      1.843 CV     1
 ASSI { 1223}
   (( segid "    " and resid 55   and name HA  ))
   (  segid "    " and resid 54   and name HG2%)
      3.100     1.200     1.200 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.14992E-02 ppm1      4.334 ppm2      1.218 CV     1
 ASSI { 1225}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HB3 ))
      2.700     0.900     0.900 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.12604E-02 ppm1      2.861 ppm2      2.733 CV     1
 ASSI { 1227}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HA  ))
      3.400     1.500     1.500 peak  1227 spectrum    1 weight  0.10000E+01 volume  0.98833E-03 ppm1      2.858 ppm2      4.342 CV     1
 ASSI { 1228}
   (( segid "    " and resid 54   and name HB  ))
   (  segid "    " and resid 45   and name HD1%)
      2.400     0.700     0.700 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.84398E-03 ppm1      2.215 ppm2      0.600 CV     1
 ASSI { 1231}
   (( segid "    " and resid 54   and name HB  ))
   (( segid "    " and resid 43   and name HB3 ))
      2.200     0.600     0.600 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.14159E-02 ppm1      2.231 ppm2      2.600 CV     1
 OR { 1231}
   (( segid "    " and resid 54   and name HB  ))
   (( segid "    " and resid 43   and name HB2 ))
 ASSI { 1232}
   (( segid "    " and resid 54   and name HB  ))
   (( segid "    " and resid 55   and name H   ))
      4.500     2.600     1.500 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.74403E-03 ppm1      2.218 ppm2      8.392 CV     1
 ASSI { 1233}
   (( segid "    " and resid 54   and name HG12))
   (( segid "    " and resid 54   and name HB  ))
      3.400     1.500     1.500 peak  1233 spectrum    1 weight  0.10000E+01 volume  0.83843E-03 ppm1      1.259 ppm2      2.215 CV     1
 OR { 1233}
   (( segid "    " and resid 54   and name HG13))
   (( segid "    " and resid 54   and name HB  ))
 ASSI { 1234}
   (  segid "    " and resid 54   and name HG2%)
   (  segid "    " and resid 61   and name HD1%)
      1.900     0.500     0.500 peak  1234 spectrum    1 weight  0.10000E+01 volume  0.34092E-02 ppm1      1.229 ppm2      0.470 CV     1
 ASSI { 1235}
   (  segid "    " and resid 54   and name HG2%)
   (  segid "    " and resid 61   and name HD2%)
      1.900     0.400     0.400 peak  1235 spectrum    1 weight  0.10000E+01 volume  0.37702E-02 ppm1      1.229 ppm2      0.356 CV     1
 ASSI { 1237}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 54   and name HB  ))
      2.600     0.800     0.800 peak  1237 spectrum    1 weight  0.10000E+01 volume  0.31539E-02 ppm1      1.229 ppm2      2.222 CV     1
 ASSI { 1239}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 43   and name HB3 ))
      2.200     0.600     0.600 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.13437E-02 ppm1      1.229 ppm2      2.598 CV     1
 OR { 1239}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 43   and name HB2 ))
 ASSI { 1240}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 58   and name HB3 ))
      2.100     0.500     0.500 peak  1240 spectrum    1 weight  0.10000E+01 volume  0.22266E-02 ppm1      1.228 ppm2      3.069 CV     1
 ASSI { 1242}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 58   and name HD22))
      2.200     0.600     0.600 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.14547E-02 ppm1      1.230 ppm2      7.100 CV     1
 ASSI { 1243}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 58   and name HD21))
      2.400     0.700     0.700 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.98279E-03 ppm1      1.231 ppm2      7.373 CV     1
 ASSI { 1244}
   (  segid "    " and resid 54   and name HG2%)
   (  segid "    " and resid 43   and name HD% )
      2.600     0.900     0.900 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.52748E-03 ppm1      1.225 ppm2      6.876 CV     1
 ASSI { 1246}
   (  segid "    " and resid 54   and name HD1%)
   (  segid "    " and resid 54   and name HG2%)
      2.800     1.000     1.000 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.13309E-01 ppm1      0.783 ppm2      1.235 CV     1
 ASSI { 1247}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 54   and name HB  ))
      2.900     1.100     1.100 peak  1247 spectrum    1 weight  0.10000E+01 volume  0.22211E-02 ppm1      0.784 ppm2      2.217 CV     1
 ASSI { 1248}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 54   and name HA  ))
      3.100     1.200     1.200 peak  1248 spectrum    1 weight  0.10000E+01 volume  0.17157E-02 ppm1      0.782 ppm2      4.790 CV     1
 ASSI { 1249}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 14   and name H   ))
      2.200     0.600     0.600 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.14492E-02 ppm1      0.783 ppm2      8.916 CV     1
 ASSI { 1250}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 55   and name H   ))
      4.800     2.900     1.200 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.96614E-03 ppm1      0.782 ppm2      8.387 CV     1
 ASSI { 1253}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 53   and name HB2 ))
      2.700     0.900     0.900 peak  1253 spectrum    1 weight  0.10000E+01 volume  0.17435E-02 ppm1      3.635 ppm2      2.666 CV     1
 ASSI { 1255}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 53   and name H   ))
      4.300     2.300     1.700 peak  1255 spectrum    1 weight  0.10000E+01 volume  0.87174E-03 ppm1      3.632 ppm2      8.903 CV     1
 ASSI { 1258}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HG13))
      4.100     2.100     1.900 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.10161E-02 ppm1      4.476 ppm2      0.804 CV     1
 ASSI { 1259}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HG12))
      3.600     1.600     1.600 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.72181E-03 ppm1      4.468 ppm2      1.258 CV     1
 ASSI { 1260}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HB  ))
      3.300     1.400     1.400 peak  1260 spectrum    1 weight  0.10000E+01 volume  0.13604E-02 ppm1      4.463 ppm2      1.493 CV     1
 ASSI { 1261}
   (( segid "    " and resid 52   and name HB  ))
   (  segid "    " and resid 52   and name HD1%)
      3.400     1.400     1.400 peak  1261 spectrum    1 weight  0.10000E+01 volume  0.41089E-02 ppm1      1.503 ppm2      0.472 CV     1
 ASSI { 1262}
   (( segid "    " and resid 52   and name HB  ))
   (  segid "    " and resid 52   and name HG2%)
      2.400     0.700     0.700 peak  1262 spectrum    1 weight  0.10000E+01 volume  0.66741E-02 ppm1      1.497 ppm2      0.640 CV     1
 ASSI { 1266}
   (( segid "    " and resid 52   and name HG13))
   (  segid "    " and resid 52   and name HD1%)
      2.600     0.800     0.800 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.41866E-02 ppm1      0.827 ppm2      0.477 CV     1
 ASSI { 1267}
   (( segid "    " and resid 52   and name HG13))
   (( segid "    " and resid 52   and name HG12))
      1.900     0.400     0.400 peak  1267 spectrum    1 weight  0.10000E+01 volume  0.80122E-02 ppm1      0.826 ppm2      1.259 CV     1
 ASSI { 1268}
   (( segid "    " and resid 40   and name HG  ))
   (( segid "    " and resid 40   and name HA  ))
      3.400     1.400     1.400 peak  1268 spectrum    1 weight  0.10000E+01 volume  0.17213E-02 ppm1      1.263 ppm2      4.425 CV     1
 ASSI { 1270}
   (( segid "    " and resid 52   and name HG13))
   (( segid "    " and resid 52   and name H   ))
      4.300     2.300     1.700 peak  1270 spectrum    1 weight  0.10000E+01 volume  0.91617E-03 ppm1      0.820 ppm2      8.757 CV     1
 ASSI { 1271}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 52   and name HG12))
      3.100     1.200     1.200 peak  1271 spectrum    1 weight  0.10000E+01 volume  0.65686E-02 ppm1      0.644 ppm2      1.250 CV     1
 ASSI { 1273}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 14   and name HB2 ))
      2.100     0.600     0.600 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.19378E-02 ppm1      0.643 ppm2      3.095 CV     1
 OR { 1273}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 14   and name HB3 ))
 ASSI { 1274}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 52   and name HA  ))
      2.600     0.800     0.800 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.41644E-02 ppm1      0.643 ppm2      4.465 CV     1
 ASSI { 1275}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 53   and name H   ))
      3.300     1.400     1.400 peak  1275 spectrum    1 weight  0.10000E+01 volume  0.35870E-02 ppm1      0.644 ppm2      8.892 CV     1
 ASSI { 1277}
   (  segid "    " and resid 52   and name HD1%)
   (  segid "    " and resid 18   and name HD1%)
      1.500     0.300     0.700 peak  1277 spectrum    1 weight  0.10000E+01 volume  0.15602E-01 ppm1      0.479 ppm2      0.690 CV     1
 ASSI { 1278}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 52   and name HG12))
      2.300     0.700     0.700 peak  1278 spectrum    1 weight  0.10000E+01 volume  0.70795E-02 ppm1      0.478 ppm2      1.261 CV     1
 ASSI { 1279}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 45   and name HG  ))
      2.100     0.600     0.600 peak  1279 spectrum    1 weight  0.10000E+01 volume  0.18434E-02 ppm1      0.476 ppm2      1.602 CV     1
 ASSI { 1281}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 52   and name HA  ))
      3.300     1.400     1.400 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.10605E-02 ppm1      0.476 ppm2      4.471 CV     1
 ASSI { 1282}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 53   and name H   ))
      2.500     0.800     0.800 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.66631E-03 ppm1      0.485 ppm2      8.901 CV     1
 ASSI { 1283}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 52   and name H   ))
      4.200     2.200     1.800 peak  1283 spectrum    1 weight  0.10000E+01 volume  0.90505E-03 ppm1      0.477 ppm2      8.774 CV     1
 ASSI { 1284}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 46   and name HA  ))
      2.400     0.700     0.700 peak  1284 spectrum    1 weight  0.10000E+01 volume  0.81065E-03 ppm1      5.436 ppm2      4.834 CV     1
 ASSI { 1285}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
      3.000     1.100     1.100 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.16880E-02 ppm1      5.431 ppm2      3.403 CV     1
 OR { 1285}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB3 ))
 ASSI { 1286}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 18   and name HD1%)
      2.300     0.700     0.700 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.10994E-02 ppm1      5.436 ppm2      0.681 CV     1
 ASSI { 1287}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 47   and name H   ))
      1.900     0.500     0.500 peak  1287 spectrum    1 weight  0.10000E+01 volume  0.30761E-02 ppm1      5.433 ppm2      8.762 CV     1
 ASSI { 1288}
   (( segid "    " and resid 51   and name HB2 ))
   (  segid "    " and resid 44   and name HG1%)
      2.100     0.500     0.500 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.21600E-02 ppm1      3.422 ppm2      0.394 CV     1
 ASSI { 1289}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HA  ))
      2.800     1.000     1.000 peak  1289 spectrum    1 weight  0.10000E+01 volume  0.16713E-02 ppm1      3.425 ppm2      5.434 CV     1
 ASSI { 1290}
   (( segid "    " and resid 51   and name HB3 ))
   (( segid "    " and resid 51   and name HA  ))
      3.500     1.600     1.600 peak  1290 spectrum    1 weight  0.10000E+01 volume  0.13270E-02 ppm1      3.393 ppm2      5.433 CV     1
 ASSI { 1291}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name H   ))
      3.300     1.400     1.400 peak  1291 spectrum    1 weight  0.10000E+01 volume  0.10272E-02 ppm1      3.426 ppm2      8.533 CV     1
 ASSI { 1292}
   (( segid "    " and resid 51   and name HB3 ))
   (( segid "    " and resid 51   and name H   ))
      3.000     1.100     1.100 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.11216E-02 ppm1      3.379 ppm2      8.543 CV     1
 ASSI { 1293}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 50   and name H   ))
      5.000     3.200     1.000 peak  1293 spectrum    1 weight  0.10000E+01 volume  0.64965E-03 ppm1      3.064 ppm2      7.234 CV     1
 ASSI { 1294}
   (( segid "    " and resid 24   and name HD3 ))
   (( segid "    " and resid 24   and name H   ))
      4.500     2.500     1.500 peak  1294 spectrum    1 weight  0.10000E+01 volume  0.10550E-02 ppm1      3.078 ppm2      7.716 CV     1
 ASSI { 1295}
   (( segid "    " and resid 24   and name HD2 ))
   (( segid "    " and resid 24   and name HB2 ))
      3.100     1.200     1.200 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.30150E-02 ppm1      3.150 ppm2      1.878 CV     1
 ASSI { 1296}
   (( segid "    " and resid 24   and name HD2 ))
   (( segid "    " and resid 24   and name HG2 ))
      2.700     0.900     0.900 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.71349E-02 ppm1      3.150 ppm2      1.762 CV     1
 OR { 1296}
   (( segid "    " and resid 24   and name HD2 ))
   (( segid "    " and resid 24   and name HB3 ))
 ASSI { 1297}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 50   and name HA  ))
      3.000     1.100     1.100 peak  1297 spectrum    1 weight  0.10000E+01 volume  0.17601E-02 ppm1      1.865 ppm2      4.629 CV     1
 ASSI { 1298}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 50   and name HA  ))
      3.100     1.200     1.200 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.15769E-02 ppm1      1.803 ppm2      4.622 CV     1
 ASSI { 1300}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 50   and name HG3 ))
      1.800     0.400     0.400 peak  1300 spectrum    1 weight  0.10000E+01 volume  0.99723E-02 ppm1      1.473 ppm2      1.247 CV     1
 ASSI { 1302}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 50   and name HB3 ))
      3.200     1.300     1.300 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.24986E-02 ppm1      1.474 ppm2      1.860 CV     1
 ASSI { 1303}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 50   and name HD2 ))
      3.000     1.100     1.100 peak  1303 spectrum    1 weight  0.10000E+01 volume  0.24542E-02 ppm1      1.470 ppm2      3.041 CV     1
 OR { 1303}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 50   and name HD3 ))
 ASSI { 1304}
   (( segid "    " and resid 50   and name HG3 ))
   (( segid "    " and resid 50   and name HD2 ))
      2.700     0.900     0.900 peak  1304 spectrum    1 weight  0.10000E+01 volume  0.24819E-02 ppm1      1.246 ppm2      3.047 CV     1
 OR { 1304}
   (( segid "    " and resid 50   and name HG3 ))
   (( segid "    " and resid 50   and name HD3 ))
 ASSI { 1309}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HG2 ))
      2.100     0.600     0.600 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.11099E-01 ppm1      4.453 ppm2      2.258 CV     1
 OR { 1309}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HB2 ))
 OR { 1309}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HG3 ))
 ASSI { 1310}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 48   and name HB% )
      3.300     1.400     1.400 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.18267E-02 ppm1      4.452 ppm2      1.423 CV     1
 ASSI { 1312}
   (( segid "    " and resid 49   and name HG3 ))
   (  segid "    " and resid 27   and name HD1%)
      2.000     0.500     0.500 peak  1312 spectrum    1 weight  0.10000E+01 volume  0.23709E-02 ppm1      2.275 ppm2      0.729 CV     1
 OR { 1312}
   (( segid "    " and resid 49   and name HG2 ))
   (  segid "    " and resid 27   and name HD1%)
 ASSI { 1313}
   (( segid "    " and resid 41   and name HG2 ))
   (  segid "    " and resid 34   and name HB% )
      2.300     0.600     0.600 peak  1313 spectrum    1 weight  0.10000E+01 volume  0.12271E-02 ppm1      2.297 ppm2      1.192 CV     1
 ASSI { 1316}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 49   and name HB3 ))
      2.100     0.600     0.600 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.21161E-01 ppm1      2.273 ppm2      1.931 CV     1
 OR { 1316}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 49   and name HB3 ))
 ASSI { 1317}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 49   and name HA  ))
      2.200     0.600     0.600 peak  1317 spectrum    1 weight  0.10000E+01 volume  0.10250E-01 ppm1      2.274 ppm2      4.454 CV     1
 OR { 1317}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI { 1318}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 50   and name H   ))
      3.200     1.300     1.300 peak  1318 spectrum    1 weight  0.10000E+01 volume  0.12549E-02 ppm1      2.276 ppm2      7.234 CV     1
 OR { 1318}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 50   and name H   ))
 ASSI { 1319}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 49   and name H   ))
      3.700     1.700     1.700 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.24264E-02 ppm1      2.275 ppm2      8.408 CV     1
 OR { 1319}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 49   and name H   ))
 ASSI { 1321}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 41   and name HA  ))
      2.800     1.000     1.000 peak  1321 spectrum    1 weight  0.10000E+01 volume  0.14325E-02 ppm1      2.299 ppm2      4.627 CV     1
 ASSI { 1322}
   (( segid "    " and resid 49   and name HB2 ))
   (  segid "    " and resid 48   and name HB% )
      3.300     1.400     1.400 peak  1322 spectrum    1 weight  0.10000E+01 volume  0.11549E-02 ppm1      2.226 ppm2      1.427 CV     1
 ASSI { 1324}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 49   and name HB3 ))
      1.800     0.400     0.400 peak  1324 spectrum    1 weight  0.10000E+01 volume  0.13354E-01 ppm1      2.224 ppm2      1.929 CV     1
 ASSI { 1325}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 49   and name HA  ))
      2.700     0.900     0.900 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.38590E-02 ppm1      2.225 ppm2      4.453 CV     1
 ASSI { 1326}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 49   and name H   ))
      3.200     1.300     1.300 peak  1326 spectrum    1 weight  0.10000E+01 volume  0.91617E-03 ppm1      2.222 ppm2      8.398 CV     1
 ASSI { 1327}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 49   and name HG2 ))
      4.200     2.200     1.800 peak  1327 spectrum    1 weight  0.10000E+01 volume  0.11383E-02 ppm1      3.992 ppm2      2.258 CV     1
 OR { 1327}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 49   and name HG3 ))
 ASSI { 1328}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 49   and name HB3 ))
      3.300     1.400     1.400 peak  1328 spectrum    1 weight  0.10000E+01 volume  0.37812E-02 ppm1      1.419 ppm2      1.914 CV     1
 ASSI { 1329}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 49   and name HG2 ))
      2.700     0.900     0.900 peak  1329 spectrum    1 weight  0.10000E+01 volume  0.81399E-02 ppm1      1.419 ppm2      2.269 CV     1
 OR { 1329}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 49   and name HG3 ))
 ASSI { 1336}
   (( segid "    " and resid 47   and name HB3 ))
   (  segid "    " and resid 47   and name HD2%)
      2.700     0.900     0.900 peak  1336 spectrum    1 weight  0.10000E+01 volume  0.35648E-02 ppm1      1.894 ppm2      0.702 CV     1
 OR { 1336}
   (( segid "    " and resid 47   and name HB3 ))
   (  segid "    " and resid 47   and name HD1%)
 ASSI { 1337}
   (( segid "    " and resid 47   and name HB2 ))
   (  segid "    " and resid 47   and name HD1%)
      2.800     1.000     1.000 peak  1337 spectrum    1 weight  0.10000E+01 volume  0.35314E-02 ppm1      1.730 ppm2      0.701 CV     1
 OR { 1337}
   (( segid "    " and resid 47   and name HB2 ))
   (  segid "    " and resid 47   and name HD2%)
 ASSI { 1338}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HG  ))
      2.800     1.000     1.000 peak  1338 spectrum    1 weight  0.10000E+01 volume  0.21266E-02 ppm1      1.724 ppm2      1.513 CV     1
 ASSI { 1341}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HB3 ))
      2.300     0.600     0.600 peak  1341 spectrum    1 weight  0.10000E+01 volume  0.27041E-02 ppm1      1.730 ppm2      1.893 CV     1
 ASSI { 1342}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HA  ))
      3.300     1.400     1.400 peak  1342 spectrum    1 weight  0.10000E+01 volume  0.64409E-03 ppm1      1.741 ppm2      4.826 CV     1
 ASSI { 1343}
   (( segid "    " and resid 47   and name HB3 ))
   (( segid "    " and resid 47   and name HA  ))
      4.100     2.100     1.900 peak  1343 spectrum    1 weight  0.10000E+01 volume  0.58301E-03 ppm1      1.892 ppm2      4.823 CV     1
 ASSI { 1348}
   (( segid "    " and resid 47   and name HG  ))
   (  segid "    " and resid 47   and name HD2%)
      2.100     0.600     0.600 peak  1348 spectrum    1 weight  0.10000E+01 volume  0.10267E-01 ppm1      1.527 ppm2      0.699 CV     1
 OR { 1348}
   (( segid "    " and resid 47   and name HG  ))
   (  segid "    " and resid 47   and name HD1%)
 ASSI { 1349}
   (( segid "    " and resid 47   and name HG  ))
   (( segid "    " and resid 47   and name HB3 ))
      2.900     1.000     1.000 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.25597E-02 ppm1      1.527 ppm2      1.900 CV     1
 ASSI { 1350}
   (( segid "    " and resid 47   and name HG  ))
   (( segid "    " and resid 26   and name HA  ))
      2.000     0.500     0.500 peak  1350 spectrum    1 weight  0.10000E+01 volume  0.23044E-02 ppm1      1.527 ppm2      3.656 CV     1
 ASSI { 1351}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 16   and name HA  ))
      3.700     1.800     1.800 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.10827E-02 ppm1      1.538 ppm2      4.301 CV     1
 ASSI { 1352}
   (( segid "    " and resid 47   and name HG  ))
   (( segid "    " and resid 47   and name HA  ))
      3.200     1.200     1.200 peak  1352 spectrum    1 weight  0.10000E+01 volume  0.14714E-02 ppm1      1.525 ppm2      4.827 CV     1
 ASSI { 1353}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 18   and name HB3 ))
      2.000     0.500     0.500 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.13670E-01 ppm1      0.690 ppm2      1.256 CV     1
 ASSI { 1354}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 47   and name HA  ))
      3.700     1.700     1.700 peak  1354 spectrum    1 weight  0.10000E+01 volume  0.24597E-02 ppm1      0.708 ppm2      4.828 CV     1
 OR { 1354}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 47   and name HA  ))
 ASSI { 1355}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 64   and name HZ2 ))
      1.900     0.400     0.400 peak  1355 spectrum    1 weight  0.10000E+01 volume  0.37201E-02 ppm1      0.708 ppm2      7.220 CV     1
 OR { 1355}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 64   and name HZ2 ))
 ASSI { 1358}
   (( segid "    " and resid 45   and name HB3 ))
   (  segid "    " and resid 45   and name HD2%)
      2.800     1.000     1.000 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.30928E-02 ppm1      1.620 ppm2      0.593 CV     1
 OR { 1358}
   (( segid "    " and resid 45   and name HB3 ))
   (  segid "    " and resid 45   and name HD1%)
 ASSI { 1359}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 45   and name HD1%)
      2.600     0.900     0.900 peak  1359 spectrum    1 weight  0.10000E+01 volume  0.29706E-02 ppm1      1.288 ppm2      0.597 CV     1
 OR { 1359}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 45   and name HD2%)
 ASSI { 1360}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 52   and name HD1%)
      4.700     2.800     1.300 peak  1360 spectrum    1 weight  0.10000E+01 volume  0.92171E-03 ppm1      1.289 ppm2      0.472 CV     1
 ASSI { 1361}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HB3 ))
      2.100     0.600     0.600 peak  1361 spectrum    1 weight  0.10000E+01 volume  0.32205E-02 ppm1      1.288 ppm2      1.609 CV     1
 OR { 1361}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HG  ))
 ASSI { 1362}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 45   and name HB2 ))
      2.100     0.500     0.500 peak  1362 spectrum    1 weight  0.10000E+01 volume  0.29372E-02 ppm1      1.622 ppm2      1.279 CV     1
 ASSI { 1363}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HA  ))
      3.300     1.400     1.400 peak  1363 spectrum    1 weight  0.10000E+01 volume  0.81621E-03 ppm1      1.290 ppm2      4.554 CV     1
 ASSI { 1364}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 46   and name H   ))
      4.800     2.900     1.200 peak  1364 spectrum    1 weight  0.10000E+01 volume  0.55525E-03 ppm1      1.626 ppm2      8.912 CV     1
 ASSI { 1365}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 45   and name H   ))
      3.600     1.700     1.700 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.90505E-03 ppm1      1.634 ppm2      9.063 CV     1
 ASSI { 1367}
   (( segid "    " and resid 45   and name HG  ))
   (  segid "    " and resid 44   and name HG1%)
      2.300     0.700     0.700 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.10161E-02 ppm1      1.601 ppm2      0.373 CV     1
 ASSI { 1369}
   (( segid "    " and resid 45   and name HG  ))
   (  segid "    " and resid 45   and name HD1%)
      2.200     0.600     0.600 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.71904E-02 ppm1      1.593 ppm2      0.594 CV     1
 OR { 1369}
   (( segid "    " and resid 45   and name HG  ))
   (  segid "    " and resid 45   and name HD2%)
 ASSI { 1370}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 45   and name HB2 ))
      2.700     0.900     0.900 peak  1370 spectrum    1 weight  0.10000E+01 volume  0.40478E-02 ppm1      1.597 ppm2      1.271 CV     1
 ASSI { 1371}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 45   and name H   ))
      2.800     1.000     1.000 peak  1371 spectrum    1 weight  0.10000E+01 volume  0.12160E-02 ppm1      1.592 ppm2      9.050 CV     1
 ASSI { 1372}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 23   and name HD2%)
      2.100     0.500     0.500 peak  1372 spectrum    1 weight  0.10000E+01 volume  0.19656E-02 ppm1      0.600 ppm2      0.214 CV     1
 ASSI { 1373}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HG  ))
      2.300     0.700     0.700 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.10178E-01 ppm1      0.599 ppm2      1.602 CV     1
 OR { 1373}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HB3 ))
 ASSI { 1375}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 43   and name HB3 ))
      3.500     1.600     1.600 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.15436E-02 ppm1      0.597 ppm2      2.599 CV     1
 OR { 1375}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 43   and name HB2 ))
 ASSI { 1376}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 43   and name HD% )
      4.400     2.400     1.600 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.97723E-03 ppm1      0.599 ppm2      6.880 CV     1
 ASSI { 1377}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name H   ))
      3.600     1.600     1.600 peak  1377 spectrum    1 weight  0.10000E+01 volume  0.19100E-02 ppm1      0.599 ppm2      9.056 CV     1
 ASSI { 1378}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 45   and name H   ))
      4.100     2.100     1.900 peak  1378 spectrum    1 weight  0.10000E+01 volume  0.14547E-02 ppm1      0.582 ppm2      9.056 CV     1
 ASSI { 1379}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 14   and name H   ))
      3.100     1.200     1.200 peak  1379 spectrum    1 weight  0.10000E+01 volume  0.24042E-02 ppm1      0.574 ppm2      8.903 CV     1
 ASSI { 1381}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 43   and name H   ))
      2.400     0.700     0.700 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.88840E-03 ppm1      0.570 ppm2      8.374 CV     1
 ASSI { 1382}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 55   and name HD2 ))
      2.200     0.600     0.600 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.13104E-02 ppm1      0.574 ppm2      7.073 CV     1
 ASSI { 1383}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 43   and name HD% )
      3.500     1.500     1.500 peak  1383 spectrum    1 weight  0.10000E+01 volume  0.12160E-02 ppm1      0.585 ppm2      6.880 CV     1
 ASSI { 1384}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 13   and name HA  ))
      3.200     1.300     1.300 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.69461E-02 ppm1      0.570 ppm2      4.355 CV     1
 ASSI { 1385}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 53   and name HB3 ))
      2.000     0.500     0.500 peak  1385 spectrum    1 weight  0.10000E+01 volume  0.29651E-02 ppm1      0.572 ppm2      3.643 CV     1
 ASSI { 1386}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 53   and name HB2 ))
      1.900     0.500     0.500 peak  1386 spectrum    1 weight  0.10000E+01 volume  0.30317E-02 ppm1      0.570 ppm2      2.654 CV     1
 ASSI { 1387}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 12   and name HG3 ))
      2.400     0.700     0.700 peak  1387 spectrum    1 weight  0.10000E+01 volume  0.97723E-03 ppm1      0.570 ppm2      2.267 CV     1
 OR { 1387}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 12   and name HG2 ))
 ASSI { 1388}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 13   and name HB3 ))
      2.700     0.900     0.900 peak  1388 spectrum    1 weight  0.10000E+01 volume  0.24264E-02 ppm1      0.570 ppm2      1.916 CV     1
 ASSI { 1389}
   (  segid "    " and resid 13   and name HD2%)
   (  segid "    " and resid 13   and name HD1%)
      2.300     0.700     0.700 peak  1389 spectrum    1 weight  0.10000E+01 volume  0.12116E-01 ppm1      0.572 ppm2      0.877 CV     1
 ASSI { 1392}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 53   and name HA  ))
      4.100     2.100     1.900 peak  1392 spectrum    1 weight  0.10000E+01 volume  0.76624E-03 ppm1      4.511 ppm2      5.086 CV     1
 ASSI { 1393}
   (  segid "    " and resid 44   and name HG1%)
   (  segid "    " and resid 44   and name HG2%)
      2.400     0.700     0.700 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.11222E-01 ppm1      0.398 ppm2      0.773 CV     1
 ASSI { 1394}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 44   and name HB  ))
      2.600     0.900     0.900 peak  1394 spectrum    1 weight  0.10000E+01 volume  0.44809E-02 ppm1      0.398 ppm2      1.930 CV     1
 ASSI { 1395}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 30   and name HB3 ))
      2.300     0.700     0.700 peak  1395 spectrum    1 weight  0.10000E+01 volume  0.11605E-02 ppm1      0.399 ppm2      2.120 CV     1
 ASSI { 1396}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 51   and name HB3 ))
      3.600     1.700     1.700 peak  1396 spectrum    1 weight  0.10000E+01 volume  0.26041E-02 ppm1      0.398 ppm2      3.407 CV     1
 OR { 1396}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 51   and name HB2 ))
 ASSI { 1397}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 44   and name HA  ))
      3.200     1.300     1.300 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.34426E-02 ppm1      0.397 ppm2      4.510 CV     1
 ASSI { 1398}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 53   and name HA  ))
      2.500     0.800     0.800 peak  1398 spectrum    1 weight  0.10000E+01 volume  0.67740E-03 ppm1      0.394 ppm2      5.087 CV     1
 ASSI { 1399}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 45   and name H   ))
      3.500     1.500     1.500 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.28818E-02 ppm1      0.398 ppm2      9.061 CV     1
 ASSI { 1404}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 44   and name HB  ))
      2.300     0.700     0.700 peak  1404 spectrum    1 weight  0.10000E+01 volume  0.87229E-02 ppm1      0.771 ppm2      1.919 CV     1
 ASSI { 1405}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 32   and name HB3 ))
      2.000     0.500     0.500 peak  1405 spectrum    1 weight  0.10000E+01 volume  0.28096E-02 ppm1      0.771 ppm2      1.758 CV     1
 ASSI { 1406}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 30   and name HB3 ))
      1.900     0.400     0.400 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.35980E-02 ppm1      0.770 ppm2      2.114 CV     1
 ASSI { 1407}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 44   and name HA  ))
      2.600     0.800     0.800 peak  1407 spectrum    1 weight  0.10000E+01 volume  0.58191E-02 ppm1      0.771 ppm2      4.499 CV     1
 ASSI { 1408}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 43   and name HA  ))
      2.000     0.500     0.500 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.22598E-02 ppm1      0.769 ppm2      5.102 CV     1
 ASSI { 1409}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 45   and name H   ))
      2.900     1.000     1.000 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.22598E-02 ppm1      0.772 ppm2      9.058 CV     1
 ASSI { 1410}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 44   and name H   ))
      3.300     1.400     1.400 peak  1410 spectrum    1 weight  0.10000E+01 volume  0.42031E-02 ppm1      0.771 ppm2      9.540 CV     1
 ASSI { 1413}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 31   and name HA  ))
      2.200     0.600     0.600 peak  1413 spectrum    1 weight  0.10000E+01 volume  0.15158E-02 ppm1      5.112 ppm2      4.465 CV     1
 ASSI { 1414}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 43   and name HD% )
      3.500     1.500     1.500 peak  1414 spectrum    1 weight  0.10000E+01 volume  0.99945E-03 ppm1      5.123 ppm2      6.882 CV     1
 ASSI { 1416}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 32   and name H   ))
      2.500     0.800     0.800 peak  1416 spectrum    1 weight  0.10000E+01 volume  0.69962E-03 ppm1      5.128 ppm2      8.833 CV     1
 ASSI { 1419}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 29   and name HG1%)
      2.200     0.600     0.600 peak  1419 spectrum    1 weight  0.10000E+01 volume  0.16269E-02 ppm1      2.611 ppm2      0.745 CV     1
 OR { 1419}
   (( segid "    " and resid 43   and name HB3 ))
   (  segid "    " and resid 29   and name HG1%)
 ASSI { 1424}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 56   and name HG2 ))
      2.300     0.700     0.700 peak  1424 spectrum    1 weight  0.10000E+01 volume  0.10272E-02 ppm1      4.381 ppm2      1.369 CV     1
 ASSI { 1425}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 56   and name HD3 ))
      2.400     0.700     0.700 peak  1425 spectrum    1 weight  0.10000E+01 volume  0.89949E-03 ppm1      4.376 ppm2      2.327 CV     1
 ASSI { 1426}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 56   and name HD2 ))
      2.300     0.600     0.600 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.12438E-02 ppm1      4.378 ppm2      3.641 CV     1
 ASSI { 1427}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name H   ))
      2.800     1.000     1.000 peak  1427 spectrum    1 weight  0.10000E+01 volume  0.26485E-02 ppm1      4.374 ppm2      8.367 CV     1
 ASSI { 1429}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 32   and name HB2 ))
      2.000     0.500     0.500 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.27263E-02 ppm1      1.067 ppm2      1.890 CV     1
 ASSI { 1430}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 32   and name HB3 ))
      2.100     0.600     0.600 peak  1430 spectrum    1 weight  0.10000E+01 volume  0.18491E-02 ppm1      1.067 ppm2      1.759 CV     1
 ASSI { 1431}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 32   and name HG2 ))
      2.200     0.600     0.600 peak  1431 spectrum    1 weight  0.10000E+01 volume  0.13048E-02 ppm1      1.066 ppm2      2.283 CV     1
 ASSI { 1432}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 32   and name HG3 ))
      2.500     0.800     0.800 peak  1432 spectrum    1 weight  0.10000E+01 volume  0.66631E-03 ppm1      1.067 ppm2      2.120 CV     1
 ASSI { 1433}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 42   and name HA  ))
      2.500     0.800     0.800 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.68406E-02 ppm1      1.067 ppm2      4.371 CV     1
 ASSI { 1434}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 43   and name HA  ))
      4.400     2.500     1.600 peak  1434 spectrum    1 weight  0.10000E+01 volume  0.87730E-03 ppm1      1.066 ppm2      5.104 CV     1
 ASSI { 1435}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 32   and name HE22))
      2.400     0.700     0.700 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.92727E-03 ppm1      1.064 ppm2      7.054 CV     1
 ASSI { 1436}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 32   and name HE21))
      2.500     0.800     0.800 peak  1436 spectrum    1 weight  0.10000E+01 volume  0.76624E-03 ppm1      1.071 ppm2      7.893 CV     1
 ASSI { 1437}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 43   and name H   ))
      2.900     1.100     1.100 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.39755E-02 ppm1      1.066 ppm2      8.369 CV     1
 ASSI { 1438}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 32   and name H   ))
      2.300     0.700     0.700 peak  1438 spectrum    1 weight  0.10000E+01 volume  0.10161E-02 ppm1      1.069 ppm2      8.844 CV     1
 ASSI { 1439}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 42   and name H   ))
      3.000     1.100     1.100 peak  1439 spectrum    1 weight  0.10000E+01 volume  0.23044E-02 ppm1      1.065 ppm2      8.696 CV     1
 ASSI { 1440}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 10   and name H   ))
      2.500     0.800     0.800 peak  1440 spectrum    1 weight  0.10000E+01 volume  0.62188E-03 ppm1      1.063 ppm2      9.574 CV     1
 ASSI { 1442}
   (( segid "    " and resid 41   and name HG3 ))
   (  segid "    " and resid 34   and name HB% )
      2.300     0.600     0.600 peak  1442 spectrum    1 weight  0.10000E+01 volume  0.12771E-02 ppm1      1.860 ppm2      1.195 CV     1
 ASSI { 1443}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 41   and name HG2 ))
      2.000     0.500     0.500 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.72515E-02 ppm1      1.865 ppm2      2.301 CV     1
 ASSI { 1444}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 41   and name HA  ))
      4.100     2.100     1.900 peak  1444 spectrum    1 weight  0.10000E+01 volume  0.11049E-02 ppm1      1.868 ppm2      4.632 CV     1
 ASSI { 1446}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 41   and name H   ))
      5.000     3.100     1.000 peak  1446 spectrum    1 weight  0.10000E+01 volume  0.73849E-03 ppm1      1.872 ppm2      8.448 CV     1
 ASSI { 1448}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HG2 ))
      3.000     1.200     1.200 peak  1448 spectrum    1 weight  0.10000E+01 volume  0.29816E-02 ppm1      1.788 ppm2      2.298 CV     1
 OR { 1448}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 41   and name HG2 ))
 ASSI { 1449}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HA  ))
      3.300     1.400     1.400 peak  1449 spectrum    1 weight  0.10000E+01 volume  0.11716E-02 ppm1      1.788 ppm2      4.628 CV     1
 OR { 1449}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 41   and name HA  ))
 ASSI { 1451}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name H   ))
      3.300     1.300     1.300 peak  1451 spectrum    1 weight  0.10000E+01 volume  0.17324E-02 ppm1      1.790 ppm2      8.445 CV     1
 OR { 1451}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 41   and name H   ))
 ASSI { 1453}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB3 ))
      2.500     0.800     0.800 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.34426E-02 ppm1      4.409 ppm2      1.201 CV     1
 ASSI { 1454}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB2 ))
      3.300     1.300     1.300 peak  1454 spectrum    1 weight  0.10000E+01 volume  0.18491E-02 ppm1      4.409 ppm2      1.408 CV     1
 ASSI { 1455}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 41   and name HB2 ))
      3.700     1.700     1.700 peak  1455 spectrum    1 weight  0.10000E+01 volume  0.14436E-02 ppm1      4.420 ppm2      1.785 CV     1
 OR { 1455}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 41   and name HB3 ))
 ASSI { 1457}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 41   and name H   ))
      3.300     1.300     1.300 peak  1457 spectrum    1 weight  0.10000E+01 volume  0.86064E-03 ppm1      1.206 ppm2      8.439 CV     1
 ASSI { 1458}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 41   and name H   ))
      4.400     2.400     1.600 peak  1458 spectrum    1 weight  0.10000E+01 volume  0.64409E-03 ppm1      1.399 ppm2      8.450 CV     1
 ASSI { 1461}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 40   and name HB2 ))
      2.100     0.500     0.500 peak  1461 spectrum    1 weight  0.10000E+01 volume  0.49917E-02 ppm1      1.199 ppm2      1.403 CV     1
 ASSI { 1463}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HA  ))
      2.400     0.700     0.700 peak  1463 spectrum    1 weight  0.10000E+01 volume  0.33648E-02 ppm1      1.230 ppm2      4.304 CV     1
 OR { 1463}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 16   and name HA  ))
 ASSI { 1464}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 22   and name H   ))
      3.900     1.900     1.900 peak  1464 spectrum    1 weight  0.10000E+01 volume  0.23931E-02 ppm1      0.652 ppm2      7.225 CV     1
 ASSI { 1465}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 23   and name H   ))
      4.400     2.500     1.600 peak  1465 spectrum    1 weight  0.10000E+01 volume  0.89395E-03 ppm1      0.741 ppm2      7.786 CV     1
 ASSI { 1466}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 40   and name HG  ))
      2.300     0.700     0.700 peak  1466 spectrum    1 weight  0.10000E+01 volume  0.96170E-02 ppm1      0.784 ppm2      1.270 CV     1
 ASSI { 1467}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 3    and name HA  ))
      3.000     1.100     1.100 peak  1467 spectrum    1 weight  0.10000E+01 volume  0.81621E-02 ppm1      0.850 ppm2      4.537 CV     1
 ASSI { 1468}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 18   and name HA  ))
      2.200     0.600     0.600 peak  1468 spectrum    1 weight  0.10000E+01 volume  0.78290E-02 ppm1      0.721 ppm2      4.441 CV     1
 ASSI { 1469}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 41   and name H   ))
      4.000     2.000     2.000 peak  1469 spectrum    1 weight  0.10000E+01 volume  0.20433E-02 ppm1      0.788 ppm2      8.453 CV     1
 ASSI { 1470}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 3    and name H   ))
      3.400     1.500     1.500 peak  1470 spectrum    1 weight  0.10000E+01 volume  0.37478E-02 ppm1      0.779 ppm2      8.262 CV     1
 ASSI { 1471}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 3    and name H   ))
      3.000     1.100     1.100 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.18324E-02 ppm1      0.849 ppm2      8.263 CV     1
 ASSI { 1472}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HB3 ))
      2.600     0.800     0.800 peak  1472 spectrum    1 weight  0.10000E+01 volume  0.31038E-02 ppm1      4.621 ppm2      3.330 CV     1
 ASSI { 1473}
   (( segid "    " and resid 39   and name HB3 ))
   (( segid "    " and resid 39   and name HB2 ))
      2.000     0.500     0.500 peak  1473 spectrum    1 weight  0.10000E+01 volume  0.78235E-02 ppm1      3.331 ppm2      3.106 CV     1
 ASSI { 1475}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name HA  ))
      3.400     1.400     1.400 peak  1475 spectrum    1 weight  0.10000E+01 volume  0.14436E-02 ppm1      3.104 ppm2      4.621 CV     1
 ASSI { 1479}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name H   ))
      3.900     1.900     1.900 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.65519E-03 ppm1      3.114 ppm2      7.991 CV     1
 ASSI { 1481}
   (( segid "    " and resid 38   and name HB3 ))
   (( segid "    " and resid 38   and name HB2 ))
      2.400     0.700     0.700 peak  1481 spectrum    1 weight  0.10000E+01 volume  0.22099E-02 ppm1      3.164 ppm2      2.904 CV     1
 ASSI { 1483}
   (( segid "    " and resid 38   and name HB3 ))
   (( segid "    " and resid 38   and name HA  ))
      3.600     1.600     1.600 peak  1483 spectrum    1 weight  0.10000E+01 volume  0.79956E-03 ppm1      3.166 ppm2      4.635 CV     1
 ASSI { 1484}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 38   and name HA  ))
      3.100     1.200     1.200 peak  1484 spectrum    1 weight  0.10000E+01 volume  0.10772E-02 ppm1      2.916 ppm2      4.630 CV     1
 ASSI { 1488}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HB3 ))
      1.800     0.400     0.400 peak  1488 spectrum    1 weight  0.10000E+01 volume  0.14836E-01 ppm1      2.604 ppm2      2.464 CV     1
 ASSI { 1492}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HA  ))
      2.400     0.700     0.700 peak  1492 spectrum    1 weight  0.10000E+01 volume  0.95392E-02 ppm1      2.609 ppm2      4.175 CV     1
 OR { 1492}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HA  ))
 ASSI { 1495}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name H   ))
      2.800     1.000     1.000 peak  1495 spectrum    1 weight  0.10000E+01 volume  0.16769E-02 ppm1      2.550 ppm2      8.011 CV     1
 ASSI { 1499}
   (( segid "    " and resid 36   and name HA2 ))
   (( segid "    " and resid 36   and name HA3 ))
      2.200     0.600     0.600 peak  1499 spectrum    1 weight  0.10000E+01 volume  0.54137E-02 ppm1      3.760 ppm2      4.022 CV     1
 ASSI { 1501}
   (( segid "    " and resid 36   and name HA2 ))
   (( segid "    " and resid 36   and name H   ))
      3.400     1.500     1.500 peak  1501 spectrum    1 weight  0.10000E+01 volume  0.69962E-03 ppm1      3.751 ppm2      7.563 CV     1
 ASSI { 1504}
   (  segid "    " and resid 81   and name HE% )
   (( segid "    " and resid 81   and name HB3 ))
      4.400     2.500     1.600 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.97168E-03 ppm1      7.162 ppm2      2.898 CV     1
 ASSI { 1505}
   (  segid "    " and resid 81   and name HE% )
   (( segid "    " and resid 81   and name HA  ))
      4.700     2.700     1.300 peak  1505 spectrum    1 weight  0.10000E+01 volume  0.87730E-03 ppm1      7.157 ppm2      4.434 CV     1
 ASSI { 1506}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 35   and name HA  ))
      2.900     1.000     1.000 peak  1506 spectrum    1 weight  0.10000E+01 volume  0.24208E-02 ppm1      2.669 ppm2      4.625 CV     1
 ASSI { 1507}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HA  ))
      3.100     1.200     1.200 peak  1507 spectrum    1 weight  0.10000E+01 volume  0.26764E-02 ppm1      2.549 ppm2      4.625 CV     1
 ASSI { 1511}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 41   and name HB3 ))
      1.800     0.400     0.400 peak  1511 spectrum    1 weight  0.10000E+01 volume  0.44532E-02 ppm1      1.193 ppm2      1.792 CV     1
 OR { 1511}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 41   and name HB2 ))
 ASSI { 1513}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 34   and name HA  ))
      2.400     0.700     0.700 peak  1513 spectrum    1 weight  0.10000E+01 volume  0.76402E-02 ppm1      1.194 ppm2      3.837 CV     1
 ASSI { 1514}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 35   and name H   ))
      3.600     1.600     1.600 peak  1514 spectrum    1 weight  0.10000E+01 volume  0.33536E-02 ppm1      1.194 ppm2      8.014 CV     1
 ASSI { 1515}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 41   and name H   ))
      2.000     0.500     0.500 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.28262E-02 ppm1      1.195 ppm2      8.453 CV     1
 ASSI { 1516}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 34   and name H   ))
      2.500     0.800     0.800 peak  1516 spectrum    1 weight  0.10000E+01 volume  0.58967E-02 ppm1      1.194 ppm2      8.775 CV     1
 ASSI { 1520}
   (( segid "    " and resid 33   and name HG3 ))
   (  segid "    " and resid 31   and name HD1%)
      2.200     0.600     0.600 peak  1520 spectrum    1 weight  0.10000E+01 volume  0.16158E-02 ppm1      2.072 ppm2      0.650 CV     1
 ASSI { 1522}
   (( segid "    " and resid 33   and name HG3 ))
   (( segid "    " and resid 33   and name HA  ))
      2.700     0.900     0.900 peak  1522 spectrum    1 weight  0.10000E+01 volume  0.19711E-02 ppm1      2.074 ppm2      4.337 CV     1
 ASSI { 1523}
   (( segid "    " and resid 33   and name HG3 ))
   (( segid "    " and resid 33   and name HB3 ))
      2.800     1.000     1.000 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.36314E-02 ppm1      2.076 ppm2      1.646 CV     1
 ASSI { 1524}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 33   and name HB3 ))
      2.100     0.500     0.500 peak  1524 spectrum    1 weight  0.10000E+01 volume  0.44587E-02 ppm1      2.012 ppm2      1.651 CV     1
 ASSI { 1527}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 33   and name HA  ))
      3.200     1.300     1.300 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.15214E-02 ppm1      2.005 ppm2      4.331 CV     1
 ASSI { 1528}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 33   and name HA  ))
      3.100     1.200     1.200 peak  1528 spectrum    1 weight  0.10000E+01 volume  0.14603E-02 ppm1      1.649 ppm2      4.330 CV     1
 ASSI { 1530}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 33   and name H   ))
      3.700     1.700     1.700 peak  1530 spectrum    1 weight  0.10000E+01 volume  0.19489E-02 ppm1      1.649 ppm2      8.443 CV     1
 ASSI { 1532}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 34   and name H   ))
      4.300     2.400     1.700 peak  1532 spectrum    1 weight  0.10000E+01 volume  0.10272E-02 ppm1      2.010 ppm2      8.772 CV     1
 ASSI { 1533}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 34   and name H   ))
      3.800     1.800     1.800 peak  1533 spectrum    1 weight  0.10000E+01 volume  0.84398E-03 ppm1      1.650 ppm2      8.786 CV     1
 ASSI { 1538}
   (( segid "    " and resid 32   and name HG3 ))
   (( segid "    " and resid 32   and name HA  ))
      4.300     2.300     1.700 peak  1538 spectrum    1 weight  0.10000E+01 volume  0.15825E-02 ppm1      2.125 ppm2      4.481 CV     1
 ASSI { 1539}
   (( segid "    " and resid 32   and name HG3 ))
   (( segid "    " and resid 32   and name HE22))
      4.600     2.700     1.400 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.66631E-03 ppm1      2.138 ppm2      7.069 CV     1
 ASSI { 1540}
   (( segid "    " and resid 32   and name HG2 ))
   (( segid "    " and resid 32   and name HE22))
      4.700     2.700     1.300 peak  1540 spectrum    1 weight  0.10000E+01 volume  0.53304E-03 ppm1      2.267 ppm2      7.050 CV     1
 ASSI { 1542}
   (( segid "    " and resid 32   and name HG3 ))
   (( segid "    " and resid 33   and name H   ))
      5.000     3.100     1.000 peak  1542 spectrum    1 weight  0.10000E+01 volume  0.56081E-03 ppm1      2.121 ppm2      8.439 CV     1
 ASSI { 1544}
   (( segid "    " and resid 32   and name HB2 ))
   (  segid "    " and resid 44   and name HG2%)
      2.400     0.700     0.700 peak  1544 spectrum    1 weight  0.10000E+01 volume  0.94948E-03 ppm1      1.879 ppm2      0.756 CV     1
 ASSI { 1547}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HA  ))
      3.200     1.300     1.300 peak  1547 spectrum    1 weight  0.10000E+01 volume  0.13548E-02 ppm1      1.882 ppm2      4.471 CV     1
 ASSI { 1548}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 32   and name H   ))
      3.300     1.300     1.300 peak  1548 spectrum    1 weight  0.10000E+01 volume  0.71072E-03 ppm1      1.767 ppm2      8.856 CV     1
 ASSI { 1551}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 24   and name H   ))
      3.600     1.600     1.600 peak  1551 spectrum    1 weight  0.10000E+01 volume  0.29317E-02 ppm1      1.781 ppm2      7.728 CV     1
 ASSI { 1553}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB2 ))
      3.300     1.300     1.300 peak  1553 spectrum    1 weight  0.10000E+01 volume  0.20211E-02 ppm1      4.498 ppm2      2.631 CV     1
 ASSI { 1554}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB3 ))
      2.900     1.100     1.100 peak  1554 spectrum    1 weight  0.10000E+01 volume  0.13715E-02 ppm1      4.494 ppm2      2.897 CV     1
 ASSI { 1555}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 10   and name H   ))
      3.200     1.300     1.300 peak  1555 spectrum    1 weight  0.10000E+01 volume  0.23209E-02 ppm1      4.503 ppm2      9.601 CV     1
 ASSI { 1556}
   (( segid "    " and resid 31   and name HB3 ))
   (  segid "    " and resid 31   and name HD2%)
      3.200     1.300     1.300 peak  1556 spectrum    1 weight  0.10000E+01 volume  0.14325E-02 ppm1      1.233 ppm2      0.352 CV     1
 ASSI { 1558}
   (( segid "    " and resid 31   and name HB2 ))
   (  segid "    " and resid 31   and name HD1%)
      2.700     0.900     0.900 peak  1558 spectrum    1 weight  0.10000E+01 volume  0.32704E-02 ppm1      1.620 ppm2      0.653 CV     1
 ASSI { 1559}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HB3 ))
      2.100     0.600     0.600 peak  1559 spectrum    1 weight  0.10000E+01 volume  0.44198E-02 ppm1      1.620 ppm2      1.232 CV     1
 ASSI { 1560}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 31   and name HG  ))
      2.600     0.800     0.800 peak  1560 spectrum    1 weight  0.10000E+01 volume  0.20600E-02 ppm1      1.236 ppm2      1.137 CV     1
 ASSI { 1562}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HA  ))
      2.900     1.000     1.000 peak  1562 spectrum    1 weight  0.10000E+01 volume  0.13048E-02 ppm1      1.614 ppm2      4.465 CV     1
 ASSI { 1563}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 18   and name HA  ))
      3.200     1.300     1.300 peak  1563 spectrum    1 weight  0.10000E+01 volume  0.16158E-02 ppm1      1.252 ppm2      4.451 CV     1
 ASSI { 1566}
   (( segid "    " and resid 31   and name HG  ))
   (( segid "    " and resid 31   and name HB2 ))
      3.000     1.100     1.100 peak  1566 spectrum    1 weight  0.10000E+01 volume  0.24652E-02 ppm1      1.133 ppm2      1.621 CV     1
 ASSI { 1567}
   (( segid "    " and resid 31   and name HG  ))
   (( segid "    " and resid 33   and name HG3 ))
      4.900     3.000     1.100 peak  1567 spectrum    1 weight  0.10000E+01 volume  0.70516E-03 ppm1      1.136 ppm2      2.073 CV     1
 ASSI { 1569}
   (( segid "    " and resid 31   and name HG  ))
   (( segid "    " and resid 31   and name HA  ))
      3.600     1.600     1.600 peak  1569 spectrum    1 weight  0.10000E+01 volume  0.72737E-03 ppm1      1.142 ppm2      4.478 CV     1
 ASSI { 1570}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 31   and name HD2%)
      2.100     0.600     0.600 peak  1570 spectrum    1 weight  0.10000E+01 volume  0.11588E-01 ppm1      0.650 ppm2      0.339 CV     1
 ASSI { 1571}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 31   and name HG  ))
      2.100     0.600     0.600 peak  1571 spectrum    1 weight  0.10000E+01 volume  0.66464E-02 ppm1      0.649 ppm2      1.137 CV     1
 ASSI { 1574}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 31   and name H   ))
      3.900     1.900     1.900 peak  1574 spectrum    1 weight  0.10000E+01 volume  0.17990E-02 ppm1      0.650 ppm2      8.845 CV     1
 ASSI { 1575}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 18   and name HG  ))
      2.100     0.500     0.500 peak  1575 spectrum    1 weight  0.10000E+01 volume  0.10622E-01 ppm1      0.694 ppm2      1.746 CV     1
 ASSI { 1577}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 31   and name HG  ))
      2.400     0.700     0.700 peak  1577 spectrum    1 weight  0.10000E+01 volume  0.35648E-02 ppm1      0.349 ppm2      1.137 CV     1
 ASSI { 1578}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 31   and name HB2 ))
      2.900     1.000     1.000 peak  1578 spectrum    1 weight  0.10000E+01 volume  0.18990E-02 ppm1      0.346 ppm2      1.615 CV     1
 ASSI { 1579}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 41   and name HG3 ))
      2.300     0.600     0.600 peak  1579 spectrum    1 weight  0.10000E+01 volume  0.12049E-02 ppm1      0.344 ppm2      1.857 CV     1
 ASSI { 1580}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 41   and name HG2 ))
      2.300     0.600     0.600 peak  1580 spectrum    1 weight  0.10000E+01 volume  0.12771E-02 ppm1      0.343 ppm2      2.285 CV     1
 ASSI { 1581}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 31   and name HA  ))
      3.800     1.800     1.800 peak  1581 spectrum    1 weight  0.10000E+01 volume  0.26208E-02 ppm1      0.348 ppm2      4.465 CV     1
 ASSI { 1582}
   (( segid "    " and resid 33   and name HG3 ))
   (( segid "    " and resid 31   and name H   ))
      2.400     0.700     0.700 peak  1582 spectrum    1 weight  0.10000E+01 volume  0.96058E-03 ppm1      2.085 ppm2      8.828 CV     1
 ASSI { 1584}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 44   and name HG1%)
      2.500     0.800     0.800 peak  1584 spectrum    1 weight  0.10000E+01 volume  0.70516E-03 ppm1      1.957 ppm2      0.392 CV     1
 ASSI { 1586}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 44   and name HG2%)
      2.300     0.700     0.700 peak  1586 spectrum    1 weight  0.10000E+01 volume  0.10605E-02 ppm1      1.963 ppm2      0.766 CV     1
 ASSI { 1587}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HA  ))
      3.600     1.600     1.600 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.76624E-03 ppm1      1.967 ppm2      4.832 CV     1
 ASSI { 1588}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 31   and name H   ))
      4.500     2.500     1.500 peak  1588 spectrum    1 weight  0.10000E+01 volume  0.84952E-03 ppm1      2.123 ppm2      8.845 CV     1
 ASSI { 1590}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 30   and name H   ))
      3.800     1.800     1.800 peak  1590 spectrum    1 weight  0.10000E+01 volume  0.82733E-03 ppm1      2.120 ppm2      9.064 CV     1
 ASSI { 1593}
   (( segid "    " and resid 29   and name HB  ))
   (( segid "    " and resid 29   and name HA  ))
      3.700     1.700     1.700 peak  1593 spectrum    1 weight  0.10000E+01 volume  0.59412E-03 ppm1      1.767 ppm2      4.919 CV     1
 ASSI { 1594}
   (( segid "    " and resid 29   and name HB  ))
   (  segid "    " and resid 29   and name HG1%)
      2.500     0.800     0.800 peak  1594 spectrum    1 weight  0.10000E+01 volume  0.40645E-02 ppm1      1.774 ppm2      0.735 CV     1
 ASSI { 1595}
   (( segid "    " and resid 29   and name HB  ))
   (  segid "    " and resid 29   and name HG2%)
      2.700     0.900     0.900 peak  1595 spectrum    1 weight  0.10000E+01 volume  0.30539E-02 ppm1      1.774 ppm2      0.515 CV     1
 ASSI { 1598}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 29   and name HA  ))
      3.100     1.200     1.200 peak  1598 spectrum    1 weight  0.10000E+01 volume  0.15325E-02 ppm1      0.735 ppm2      4.915 CV     1
 ASSI { 1599}
   (  segid "    " and resid 29   and name HG2%)
   (( segid "    " and resid 29   and name HA  ))
      3.300     1.300     1.300 peak  1599 spectrum    1 weight  0.10000E+01 volume  0.97168E-03 ppm1      0.512 ppm2      4.910 CV     1
 ASSI { 1602}
   (  segid "    " and resid 29   and name HG2%)
   (( segid "    " and resid 30   and name H   ))
      4.700     2.700     1.300 peak  1602 spectrum    1 weight  0.10000E+01 volume  0.82177E-03 ppm1      0.512 ppm2      9.071 CV     1
 ASSI { 1603}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 30   and name H   ))
      2.900     1.100     1.100 peak  1603 spectrum    1 weight  0.10000E+01 volume  0.19045E-02 ppm1      0.735 ppm2      9.066 CV     1
 ASSI { 1605}
   (  segid "    " and resid 29   and name HG1%)
   (  segid "    " and resid 29   and name HG2%)
      2.400     0.700     0.700 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.78956E-02 ppm1      0.734 ppm2      0.510 CV     1
 ASSI { 1609}
   (( segid "    " and resid 28   and name HG3 ))
   (( segid "    " and resid 28   and name HE22))
      4.200     2.200     1.800 peak  1609 spectrum    1 weight  0.10000E+01 volume  0.11160E-02 ppm1      2.161 ppm2      6.673 CV     1
 ASSI { 1610}
   (( segid "    " and resid 28   and name HG3 ))
   (( segid "    " and resid 28   and name HE21))
      2.700     0.900     0.900 peak  1610 spectrum    1 weight  0.10000E+01 volume  0.12382E-02 ppm1      2.166 ppm2      7.409 CV     1
 ASSI { 1611}
   (( segid "    " and resid 28   and name HG3 ))
   (( segid "    " and resid 28   and name HB3 ))
      2.700     0.900     0.900 peak  1611 spectrum    1 weight  0.10000E+01 volume  0.29594E-02 ppm1      2.162 ppm2      1.851 CV     1
 ASSI { 1612}
   (( segid "    " and resid 28   and name HG3 ))
   (  segid "    " and resid 27   and name HG2%)
      4.300     2.300     1.700 peak  1612 spectrum    1 weight  0.10000E+01 volume  0.97723E-03 ppm1      2.166 ppm2      0.877 CV     1
 ASSI { 1613}
   (( segid "    " and resid 28   and name HG2 ))
   (  segid "    " and resid 27   and name HG2%)
      4.100     2.100     1.900 peak  1613 spectrum    1 weight  0.10000E+01 volume  0.17490E-02 ppm1      2.280 ppm2      0.860 CV     1
 ASSI { 1617}
   (( segid "    " and resid 27   and name HA  ))
   (  segid "    " and resid 27   and name HD1%)
      3.700     1.700     1.700 peak  1617 spectrum    1 weight  0.10000E+01 volume  0.29873E-02 ppm1      4.248 ppm2      0.734 CV     1
 ASSI { 1619}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HG12))
      3.300     1.400     1.400 peak  1619 spectrum    1 weight  0.10000E+01 volume  0.14103E-02 ppm1      4.243 ppm2      1.468 CV     1
 ASSI { 1620}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB  ))
      2.900     1.000     1.000 peak  1620 spectrum    1 weight  0.10000E+01 volume  0.24042E-02 ppm1      4.245 ppm2      1.817 CV     1
 ASSI { 1624}
   (( segid "    " and resid 27   and name HB  ))
   (( segid "    " and resid 27   and name HG12))
      3.100     1.200     1.200 peak  1624 spectrum    1 weight  0.10000E+01 volume  0.21211E-02 ppm1      1.810 ppm2      1.472 CV     1
 ASSI { 1626}
   (( segid "    " and resid 27   and name HB  ))
   (( segid "    " and resid 27   and name H   ))
      3.100     1.200     1.200 peak  1626 spectrum    1 weight  0.10000E+01 volume  0.15991E-02 ppm1      1.809 ppm2      9.069 CV     1
 ASSI { 1627}
   (( segid "    " and resid 27   and name HG12))
   (( segid "    " and resid 27   and name H   ))
      4.300     2.300     1.700 peak  1627 spectrum    1 weight  0.10000E+01 volume  0.14881E-02 ppm1      1.475 ppm2      9.066 CV     1
 ASSI { 1629}
   (( segid "    " and resid 27   and name HG12))
   (( segid "    " and resid 27   and name HG13))
      1.700     0.400     0.500 peak  1629 spectrum    1 weight  0.10000E+01 volume  0.10800E-01 ppm1      1.478 ppm2      1.056 CV     1
 ASSI { 1630}
   (( segid "    " and resid 27   and name HG13))
   (  segid "    " and resid 27   and name HG2%)
      3.300     1.300     1.300 peak  1630 spectrum    1 weight  0.10000E+01 volume  0.39590E-02 ppm1      1.055 ppm2      0.879 CV     1
 ASSI { 1631}
   (( segid "    " and resid 27   and name HG13))
   (  segid "    " and resid 27   and name HD1%)
      2.200     0.600     0.600 peak  1631 spectrum    1 weight  0.10000E+01 volume  0.66796E-02 ppm1      1.056 ppm2      0.727 CV     1
 ASSI { 1633}
   (( segid "    " and resid 27   and name HG13))
   (( segid "    " and resid 27   and name HB  ))
      2.900     1.000     1.000 peak  1633 spectrum    1 weight  0.10000E+01 volume  0.20433E-02 ppm1      1.055 ppm2      1.813 CV     1
 ASSI { 1634}
   (( segid "    " and resid 27   and name HG13))
   (( segid "    " and resid 27   and name HA  ))
      3.100     1.200     1.200 peak  1634 spectrum    1 weight  0.10000E+01 volume  0.14881E-02 ppm1      1.055 ppm2      4.237 CV     1
 ASSI { 1636}
   (( segid "    " and resid 27   and name HG13))
   (( segid "    " and resid 27   and name H   ))
      2.300     0.700     0.700 peak  1636 spectrum    1 weight  0.10000E+01 volume  0.14936E-02 ppm1      1.056 ppm2      9.063 CV     1
 ASSI { 1637}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 27   and name HG12))
      2.400     0.700     0.700 peak  1637 spectrum    1 weight  0.10000E+01 volume  0.55525E-02 ppm1      0.881 ppm2      1.469 CV     1
 ASSI { 1638}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 27   and name HB  ))
      2.200     0.600     0.600 peak  1638 spectrum    1 weight  0.10000E+01 volume  0.10405E-01 ppm1      0.881 ppm2      1.816 CV     1
 ASSI { 1640}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 27   and name HA  ))
      2.400     0.700     0.700 peak  1640 spectrum    1 weight  0.10000E+01 volume  0.61799E-02 ppm1      0.882 ppm2      4.239 CV     1
 ASSI { 1641}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 28   and name H   ))
      3.700     1.700     1.700 peak  1641 spectrum    1 weight  0.10000E+01 volume  0.16435E-02 ppm1      0.881 ppm2      7.548 CV     1
 ASSI { 1642}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 27   and name H   ))
      4.100     2.100     1.900 peak  1642 spectrum    1 weight  0.10000E+01 volume  0.20099E-02 ppm1      0.880 ppm2      9.068 CV     1
 ASSI { 1643}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 48   and name H   ))
      2.500     0.800     0.800 peak  1643 spectrum    1 weight  0.10000E+01 volume  0.72181E-03 ppm1      0.880 ppm2      8.828 CV     1
 ASSI { 1644}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 27   and name H   ))
      3.700     1.800     1.800 peak  1644 spectrum    1 weight  0.10000E+01 volume  0.15658E-02 ppm1      0.730 ppm2      9.066 CV     1
 ASSI { 1645}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 48   and name H   ))
      2.000     0.500     0.500 peak  1645 spectrum    1 weight  0.10000E+01 volume  0.26430E-02 ppm1      0.732 ppm2      8.827 CV     1
 ASSI { 1646}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 28   and name H   ))
      2.300     0.600     0.600 peak  1646 spectrum    1 weight  0.10000E+01 volume  0.11882E-02 ppm1      0.731 ppm2      7.536 CV     1
 ASSI { 1648}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 48   and name HA  ))
      1.700     0.300     0.500 peak  1648 spectrum    1 weight  0.10000E+01 volume  0.81733E-02 ppm1      0.732 ppm2      3.992 CV     1
 ASSI { 1650}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 27   and name HB  ))
      2.300     0.700     0.700 peak  1650 spectrum    1 weight  0.10000E+01 volume  0.68850E-02 ppm1      0.733 ppm2      1.812 CV     1
 ASSI { 1654}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HB  ))
      3.300     1.400     1.400 peak  1654 spectrum    1 weight  0.10000E+01 volume  0.97723E-03 ppm1      3.660 ppm2      2.160 CV     1
 ASSI { 1657}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 26   and name HG2%)
      2.300     0.700     0.700 peak  1657 spectrum    1 weight  0.10000E+01 volume  0.46419E-02 ppm1      3.661 ppm2      0.699 CV     1
 ASSI { 1658}
   (  segid "    " and resid 26   and name HG1%)
   (  segid "    " and resid 23   and name HD2%)
      2.000     0.500     0.500 peak  1658 spectrum    1 weight  0.10000E+01 volume  0.25764E-02 ppm1      0.849 ppm2      0.247 CV     1
 ASSI { 1659}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 3    and name HG  ))
      2.100     0.500     0.500 peak  1659 spectrum    1 weight  0.10000E+01 volume  0.13820E-01 ppm1      0.850 ppm2      1.585 CV     1
 ASSI { 1660}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 26   and name HB  ))
      2.400     0.700     0.700 peak  1660 spectrum    1 weight  0.10000E+01 volume  0.56969E-02 ppm1      0.849 ppm2      2.163 CV     1
 ASSI { 1661}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 26   and name HA  ))
      2.700     0.900     0.900 peak  1661 spectrum    1 weight  0.10000E+01 volume  0.71017E-02 ppm1      0.850 ppm2      3.651 CV     1
 ASSI { 1663}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 25   and name H   ))
      2.200     0.600     0.600 peak  1663 spectrum    1 weight  0.10000E+01 volume  0.14992E-02 ppm1      0.847 ppm2      7.648 CV     1
 ASSI { 1664}
   (  segid "    " and resid 26   and name HG2%)
   (  segid "    " and resid 26   and name HG1%)
      2.400     0.700     0.700 peak  1664 spectrum    1 weight  0.10000E+01 volume  0.69406E-02 ppm1      0.679 ppm2      0.845 CV     1
 ASSI { 1671}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 25   and name HE2 ))
      4.900     3.000     1.100 peak  1671 spectrum    1 weight  0.10000E+01 volume  0.74959E-03 ppm1      2.038 ppm2      2.933 CV     1
 OR { 1671}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 25   and name HE3 ))
 ASSI { 1672}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HE3 ))
      4.700     2.800     1.300 peak  1672 spectrum    1 weight  0.10000E+01 volume  0.58856E-03 ppm1      1.953 ppm2      2.923 CV     1
 OR { 1672}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HE2 ))
 ASSI { 1673}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 24   and name HA  ))
      2.500     0.800     0.800 peak  1673 spectrum    1 weight  0.10000E+01 volume  0.29317E-02 ppm1      1.765 ppm2      4.131 CV     1
 ASSI { 1674}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 25   and name HB3 ))
      2.700     0.900     0.900 peak  1674 spectrum    1 weight  0.10000E+01 volume  0.27874E-02 ppm1      1.586 ppm2      2.041 CV     1
 ASSI { 1675}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 25   and name HB2 ))
      3.200     1.300     1.300 peak  1675 spectrum    1 weight  0.10000E+01 volume  0.27375E-02 ppm1      1.586 ppm2      1.960 CV     1
 ASSI { 1676}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 25   and name HE2 ))
      2.500     0.800     0.800 peak  1676 spectrum    1 weight  0.10000E+01 volume  0.27652E-02 ppm1      1.591 ppm2      2.929 CV     1
 OR { 1676}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 25   and name HE3 ))
 ASSI { 1677}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 25   and name HA  ))
      2.700     0.900     0.900 peak  1677 spectrum    1 weight  0.10000E+01 volume  0.31594E-02 ppm1      1.588 ppm2      4.338 CV     1
 ASSI { 1678}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 26   and name H   ))
      3.400     1.500     1.500 peak  1678 spectrum    1 weight  0.10000E+01 volume  0.73849E-03 ppm1      1.595 ppm2      7.209 CV     1
 ASSI { 1680}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 25   and name H   ))
      3.400     1.500     1.500 peak  1680 spectrum    1 weight  0.10000E+01 volume  0.21433E-02 ppm1      1.584 ppm2      7.650 CV     1
 ASSI { 1683}
   (  segid "    " and resid 43   and name HD% )
   (  segid "    " and resid 29   and name HG1%)
      2.100     0.500     0.500 peak  1683 spectrum    1 weight  0.10000E+01 volume  0.21543E-02 ppm1      6.879 ppm2      0.745 CV     1
 ASSI { 1684}
   (  segid "    " and resid 43   and name HD% )
   (  segid "    " and resid 45   and name HD2%)
      3.800     1.800     1.800 peak  1684 spectrum    1 weight  0.10000E+01 volume  0.82177E-03 ppm1      6.878 ppm2      0.610 CV     1
 OR { 1684}
   (  segid "    " and resid 43   and name HD% )
   (  segid "    " and resid 45   and name HD1%)
 ASSI { 1689}
   (( segid "    " and resid 1    and name HB3 ))
   (( segid "    " and resid 1    and name HA  ))
      2.500     0.800     0.800 peak  1689 spectrum    1 weight  0.10000E+01 volume  0.28539E-02 ppm1      3.120 ppm2      4.117 CV     1
 ASSI { 1690}
   (( segid "    " and resid 1    and name HB2 ))
   (( segid "    " and resid 1    and name HA  ))
      3.200     1.300     1.300 peak  1690 spectrum    1 weight  0.10000E+01 volume  0.23154E-02 ppm1      3.046 ppm2      4.118 CV     1
 ASSI { 1692}
   (( segid "    " and resid 73   and name HD2 ))
   (( segid "    " and resid 73   and name HB2 ))
      2.800     1.000     1.000 peak  1692 spectrum    1 weight  0.10000E+01 volume  0.29484E-02 ppm1      7.116 ppm2      3.104 CV     1
 ASSI { 1693}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 67   and name HA  ))
      4.300     2.300     1.700 peak  1693 spectrum    1 weight  0.10000E+01 volume  0.94392E-03 ppm1      7.078 ppm2      4.451 CV     1
 ASSI { 1694}
   (( segid "    " and resid 55   and name HD2 ))
   (( segid "    " and resid 55   and name HA  ))
      4.500     2.600     1.500 peak  1694 spectrum    1 weight  0.10000E+01 volume  0.10661E-02 ppm1      7.083 ppm2      4.341 CV     1
 ASSI { 1695}
   (( segid "    " and resid 55   and name HD2 ))
   (( segid "    " and resid 55   and name HB2 ))
      3.300     1.300     1.300 peak  1695 spectrum    1 weight  0.10000E+01 volume  0.10272E-02 ppm1      7.082 ppm2      2.843 CV     1
 ASSI { 1696}
   (( segid "    " and resid 55   and name HD2 ))
   (( segid "    " and resid 55   and name HB3 ))
      4.300     2.400     1.700 peak  1696 spectrum    1 weight  0.10000E+01 volume  0.61078E-03 ppm1      7.079 ppm2      2.715 CV     1
 ASSI { 1697}
   (( segid "    " and resid 55   and name HD2 ))
   (( segid "    " and resid 13   and name HB3 ))
      2.400     0.700     0.700 peak  1697 spectrum    1 weight  0.10000E+01 volume  0.97723E-03 ppm1      7.084 ppm2      1.926 CV     1
 ASSI { 1698}
   (( segid "    " and resid 55   and name HD2 ))
   (  segid "    " and resid 13   and name HD1%)
      2.000     0.500     0.500 peak  1698 spectrum    1 weight  0.10000E+01 volume  0.26986E-02 ppm1      7.081 ppm2      0.883 CV     1
 ASSI { 1701}
   (( segid "    " and resid 39   and name HD2 ))
   (( segid "    " and resid 39   and name HB3 ))
      3.200     1.300     1.300 peak  1701 spectrum    1 weight  0.10000E+01 volume  0.11160E-02 ppm1      7.104 ppm2      3.329 CV     1
 ASSI { 1702}
   (( segid "    " and resid 64   and name HB3 ))
   (( segid "    " and resid 65   and name H   ))
      4.900     3.000     1.100 peak  1702 spectrum    1 weight  0.10000E+01 volume  0.60522E-03 ppm1      3.025 ppm2      8.121 CV     1
 ASSI { 1707}
   (( segid "    " and resid 64   and name HZ2 ))
   (( segid "    " and resid 64   and name HH2 ))
      2.600     0.800     0.800 peak  1707 spectrum    1 weight  0.10000E+01 volume  0.62021E-02 ppm1      7.227 ppm2      6.888 CV     1
 ASSI { 1709}
   (( segid "    " and resid 64   and name HH2 ))
   (( segid "    " and resid 64   and name HZ3 ))
      2.700     0.900     0.900 peak  1709 spectrum    1 weight  0.10000E+01 volume  0.47252E-02 ppm1      6.891 ppm2      6.678 CV     1
 ASSI { 1711}
   (( segid "    " and resid 64   and name HZ3 ))
   (( segid "    " and resid 64   and name HZ2 ))
      4.500     2.500     1.500 peak  1711 spectrum    1 weight  0.10000E+01 volume  0.84952E-03 ppm1      6.678 ppm2      7.215 CV     1
 ASSI { 1712}
   (( segid "    " and resid 64   and name HZ3 ))
   (( segid "    " and resid 64   and name HE3 ))
      3.200     1.300     1.300 peak  1712 spectrum    1 weight  0.10000E+01 volume  0.13326E-02 ppm1      6.678 ppm2      7.010 CV     1
 ASSI { 1713}
   (  segid "    " and resid 14   and name HD% )
   (  segid "    " and resid 14   and name HE% )
      2.300     0.600     0.600 peak  1713 spectrum    1 weight  0.10000E+01 volume  0.71627E-02 ppm1      7.016 ppm2      6.679 CV     1
 ASSI { 1714}
   (  segid "    " and resid 14   and name HD% )
   (( segid "    " and resid 14   and name HB3 ))
      3.000     1.100     1.100 peak  1714 spectrum    1 weight  0.10000E+01 volume  0.15991E-02 ppm1      7.015 ppm2      3.101 CV     1
 OR { 1714}
   (  segid "    " and resid 14   and name HD% )
   (( segid "    " and resid 14   and name HB2 ))
 ASSI { 1716}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 14   and name HB3 ))
      4.500     2.500     1.500 peak  1716 spectrum    1 weight  0.10000E+01 volume  0.76624E-03 ppm1      6.682 ppm2      3.100 CV     1
 OR { 1716}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 14   and name HB2 ))
 ASSI { 1718}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 16   and name HB3 ))
      3.300     1.300     1.300 peak  1718 spectrum    1 weight  0.10000E+01 volume  0.26263E-02 ppm1      6.679 ppm2      1.228 CV     1
 OR { 1718}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 16   and name HG3 ))
 OR { 1718}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 16   and name HG2 ))
 ASSI { 1719}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 16   and name HB2 ))
      3.000     1.100     1.100 peak  1719 spectrum    1 weight  0.10000E+01 volume  0.16491E-02 ppm1      6.676 ppm2      1.756 CV     1
 ASSI { 1721}
   (( segid "    " and resid 65   and name HZ  ))
   (  segid "    " and resid 65   and name HE% )
      2.600     0.800     0.800 peak  1721 spectrum    1 weight  0.10000E+01 volume  0.52359E-02 ppm1      6.856 ppm2      7.064 CV     1
 ASSI { 1723}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HG2 ))
      2.300     0.700     0.700 peak  1723 spectrum    1 weight  0.10000E+01 volume  0.62910E-02 ppm1      4.128 ppm2      1.772 CV     1
 OR { 1723}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HB3 ))
 ASSI { 1724}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HB2 ))
      2.800     1.000     1.000 peak  1724 spectrum    1 weight  0.10000E+01 volume  0.47641E-02 ppm1      4.127 ppm2      1.884 CV     1
 ASSI { 1727}
   (( segid "    " and resid 24   and name HD2 ))
   (( segid "    " and resid 24   and name HA  ))
      4.400     2.400     1.600 peak  1727 spectrum    1 weight  0.10000E+01 volume  0.18102E-02 ppm1      3.152 ppm2      4.132 CV     1
 ASSI { 1728}
   (( segid "    " and resid 24   and name HD2 ))
   (( segid "    " and resid 24   and name H   ))
      4.500     2.500     1.500 peak  1728 spectrum    1 weight  0.10000E+01 volume  0.95502E-03 ppm1      3.155 ppm2      7.727 CV     1
 ASSI { 1729}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HD3 ))
      2.800     1.000     1.000 peak  1729 spectrum    1 weight  0.10000E+01 volume  0.19877E-02 ppm1      1.880 ppm2      3.092 CV     1
 ASSI { 1730}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 21   and name HA  ))
      2.500     0.800     0.800 peak  1730 spectrum    1 weight  0.10000E+01 volume  0.67185E-03 ppm1      1.874 ppm2      3.794 CV     1
 ASSI { 1731}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 21   and name HA  ))
      2.300     0.700     0.700 peak  1731 spectrum    1 weight  0.10000E+01 volume  0.99389E-03 ppm1      1.772 ppm2      3.788 CV     1
 ASSI { 1733}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 21   and name HA  ))
      2.600     0.800     0.800 peak  1733 spectrum    1 weight  0.10000E+01 volume  0.60522E-03 ppm1      1.763 ppm2      3.792 CV     1
 ASSI { 1735}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 22   and name HG  ))
      2.300     0.700     0.700 peak  1735 spectrum    1 weight  0.10000E+01 volume  0.11160E-02 ppm1      3.642 ppm2      1.413 CV     1
 ASSI { 1736}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB3 ))
      2.500     0.800     0.800 peak  1736 spectrum    1 weight  0.10000E+01 volume  0.34204E-02 ppm1      3.641 ppm2      0.846 CV     1
 ASSI { 1740}
   (( segid "    " and resid 23   and name HB2 ))
   (  segid "    " and resid 23   and name HD2%)
      4.700     2.800     1.300 peak  1740 spectrum    1 weight  0.10000E+01 volume  0.73293E-03 ppm1      1.463 ppm2      0.231 CV     1
 ASSI { 1742}
   (( segid "    " and resid 23   and name HB2 ))
   (  segid "    " and resid 23   and name HD1%)
      2.900     1.100     1.100 peak  1742 spectrum    1 weight  0.10000E+01 volume  0.14048E-02 ppm1      1.440 ppm2      0.486 CV     1
 ASSI { 1743}
   (( segid "    " and resid 23   and name HB3 ))
   (  segid "    " and resid 23   and name HD1%)
      4.100     2.100     1.900 peak  1743 spectrum    1 weight  0.10000E+01 volume  0.86618E-03 ppm1      0.832 ppm2      0.494 CV     1
 ASSI { 1744}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HB3 ))
      2.500     0.800     0.800 peak  1744 spectrum    1 weight  0.10000E+01 volume  0.15991E-02 ppm1      1.441 ppm2      0.829 CV     1
 ASSI { 1747}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HA  ))
      3.800     1.800     1.800 peak  1747 spectrum    1 weight  0.10000E+01 volume  0.48307E-03 ppm1      1.444 ppm2      3.630 CV     1
 ASSI { 1748}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 20   and name HA  ))
      2.400     0.700     0.700 peak  1748 spectrum    1 weight  0.10000E+01 volume  0.88284E-03 ppm1      1.439 ppm2      4.171 CV     1
 ASSI { 1749}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 20   and name HA  ))
      2.500     0.800     0.800 peak  1749 spectrum    1 weight  0.10000E+01 volume  0.61632E-03 ppm1      0.836 ppm2      4.190 CV     1
 ASSI { 1750}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name H   ))
      4.200     2.200     1.800 peak  1750 spectrum    1 weight  0.10000E+01 volume  0.93836E-03 ppm1      1.442 ppm2      7.777 CV     1
 ASSI { 1752}
   (( segid "    " and resid 23   and name HG  ))
   (  segid "    " and resid 23   and name HD2%)
      3.100     1.200     1.200 peak  1752 spectrum    1 weight  0.10000E+01 volume  0.14825E-02 ppm1      1.391 ppm2      0.232 CV     1
 ASSI { 1753}
   (( segid "    " and resid 23   and name HG  ))
   (  segid "    " and resid 23   and name HD1%)
      3.100     1.200     1.200 peak  1753 spectrum    1 weight  0.10000E+01 volume  0.16380E-02 ppm1      1.379 ppm2      0.482 CV     1
 ASSI { 1754}
   (( segid "    " and resid 23   and name HG  ))
   (( segid "    " and resid 23   and name HA  ))
      4.200     2.200     1.800 peak  1754 spectrum    1 weight  0.10000E+01 volume  0.55525E-03 ppm1      1.388 ppm2      3.636 CV     1
 ASSI { 1755}
   (( segid "    " and resid 23   and name HG  ))
   (( segid "    " and resid 23   and name H   ))
      3.300     1.400     1.400 peak  1755 spectrum    1 weight  0.10000E+01 volume  0.12771E-02 ppm1      1.378 ppm2      7.800 CV     1
 ASSI { 1756}
   (  segid "    " and resid 3    and name HD2%)
   (( segid "    " and resid 3    and name HG  ))
      2.100     0.600     0.600 peak  1756 spectrum    1 weight  0.10000E+01 volume  0.13504E-01 ppm1      0.841 ppm2      1.580 CV     1
 ASSI { 1757}
   (  segid "    " and resid 23   and name HD1%)
   (  segid "    " and resid 23   and name HD2%)
      2.600     0.900     0.900 peak  1757 spectrum    1 weight  0.10000E+01 volume  0.45586E-02 ppm1      0.485 ppm2      0.232 CV     1
 ASSI { 1758}
   (  segid "    " and resid 23   and name HD1%)
   (( segid "    " and resid 23   and name HA  ))
      4.800     2.900     1.200 peak  1758 spectrum    1 weight  0.10000E+01 volume  0.11938E-02 ppm1      0.488 ppm2      3.644 CV     1
 ASSI { 1759}
   (  segid "    " and resid 23   and name HD1%)
   (( segid "    " and resid 20   and name HA  ))
      2.200     0.600     0.600 peak  1759 spectrum    1 weight  0.10000E+01 volume  0.16213E-02 ppm1      0.484 ppm2      4.166 CV     1
 ASSI { 1760}
   (  segid "    " and resid 23   and name HD1%)
   (( segid "    " and resid 23   and name H   ))
      4.700     2.800     1.300 peak  1760 spectrum    1 weight  0.10000E+01 volume  0.11216E-02 ppm1      0.491 ppm2      7.785 CV     1
 ASSI { 1762}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 23   and name HB3 ))
      2.600     0.800     0.800 peak  1762 spectrum    1 weight  0.10000E+01 volume  0.31038E-02 ppm1      0.229 ppm2      0.835 CV     1
 ASSI { 1763}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 23   and name HA  ))
      3.700     1.700     1.700 peak  1763 spectrum    1 weight  0.10000E+01 volume  0.22987E-02 ppm1      0.228 ppm2      3.648 CV     1
 ASSI { 1764}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 23   and name H   ))
      3.500     1.500     1.500 peak  1764 spectrum    1 weight  0.10000E+01 volume  0.77180E-03 ppm1      0.221 ppm2      7.778 CV     1
 ASSI { 1765}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HG  ))
      2.500     0.800     0.800 peak  1765 spectrum    1 weight  0.10000E+01 volume  0.36868E-02 ppm1      3.984 ppm2      1.412 CV     1
 ASSI { 1766}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB3 ))
      2.400     0.700     0.700 peak  1766 spectrum    1 weight  0.10000E+01 volume  0.68907E-02 ppm1      3.984 ppm2      1.567 CV     1
 OR { 1766}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI { 1769}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name H   ))
      2.800     1.000     1.000 peak  1769 spectrum    1 weight  0.10000E+01 volume  0.42976E-02 ppm1      1.564 ppm2      7.236 CV     1
 OR { 1769}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 22   and name H   ))
 ASSI { 1770}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 22   and name HA  ))
      3.300     1.300     1.300 peak  1770 spectrum    1 weight  0.10000E+01 volume  0.65853E-02 ppm1      0.743 ppm2      3.983 CV     1
 ASSI { 1771}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 22   and name HA  ))
      3.200     1.200     1.200 peak  1771 spectrum    1 weight  0.10000E+01 volume  0.32593E-02 ppm1      0.655 ppm2      3.981 CV     1
 ASSI { 1772}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 23   and name H   ))
      4.500     2.500     1.500 peak  1772 spectrum    1 weight  0.10000E+01 volume  0.12271E-02 ppm1      0.654 ppm2      7.792 CV     1
 ASSI { 1773}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 23   and name HA  ))
      4.200     2.200     1.800 peak  1773 spectrum    1 weight  0.10000E+01 volume  0.17213E-02 ppm1      0.655 ppm2      3.647 CV     1
 ASSI { 1774}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 22   and name HB3 ))
      2.200     0.600     0.600 peak  1774 spectrum    1 weight  0.10000E+01 volume  0.98334E-02 ppm1      0.654 ppm2      1.569 CV     1
 OR { 1774}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 22   and name HB2 ))
 ASSI { 1775}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 22   and name HG  ))
      2.300     0.600     0.600 peak  1775 spectrum    1 weight  0.10000E+01 volume  0.86508E-02 ppm1      0.654 ppm2      1.422 CV     1
 ASSI { 1776}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HG2 ))
      3.600     1.700     1.700 peak  1776 spectrum    1 weight  0.10000E+01 volume  0.25764E-02 ppm1      3.789 ppm2      1.428 CV     1
 ASSI { 1777}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HG3 ))
      2.800     1.000     1.000 peak  1777 spectrum    1 weight  0.10000E+01 volume  0.28539E-02 ppm1      3.787 ppm2      1.296 CV     1
 ASSI { 1778}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HB2 ))
      2.200     0.600     0.600 peak  1778 spectrum    1 weight  0.10000E+01 volume  0.93948E-02 ppm1      3.787 ppm2      1.671 CV     1
 OR { 1778}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HB3 ))
 ASSI { 1780}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 20   and name HB3 ))
      3.800     1.900     1.900 peak  1780 spectrum    1 weight  0.10000E+01 volume  0.65519E-03 ppm1      3.790 ppm2      2.614 CV     1
 OR { 1780}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 20   and name HB2 ))
 ASSI { 1781}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HE3 ))
      4.700     2.800     1.300 peak  1781 spectrum    1 weight  0.10000E+01 volume  0.72737E-03 ppm1      3.789 ppm2      2.925 CV     1
 OR { 1781}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HE2 ))
 ASSI { 1789}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 22   and name H   ))
      5.000     3.100     1.000 peak  1789 spectrum    1 weight  0.10000E+01 volume  0.55525E-03 ppm1      1.422 ppm2      7.229 CV     1
 ASSI { 1790}
   (( segid "    " and resid 21   and name HG3 ))
   (( segid "    " and resid 22   and name H   ))
      2.900     1.100     1.100 peak  1790 spectrum    1 weight  0.10000E+01 volume  0.79956E-03 ppm1      1.293 ppm2      7.235 CV     1
 ASSI { 1796}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name H   ))
      3.100     1.200     1.200 peak  1796 spectrum    1 weight  0.10000E+01 volume  0.99389E-03 ppm1      4.176 ppm2      8.879 CV     1
 ASSI { 1801}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 19   and name HA  ))
      3.400     1.500     1.500 peak  1801 spectrum    1 weight  0.10000E+01 volume  0.14381E-02 ppm1      2.609 ppm2      4.364 CV     1
 OR { 1801}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 19   and name HA  ))
 ASSI { 1803}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
      4.000     2.000     2.000 peak  1803 spectrum    1 weight  0.10000E+01 volume  0.94392E-03 ppm1      4.356 ppm2      1.573 CV     1
 OR { 1803}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 22   and name HB3 ))
 ASSI { 1806}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HB2 ))
      2.500     0.800     0.800 peak  1806 spectrum    1 weight  0.10000E+01 volume  0.46529E-02 ppm1      4.359 ppm2      4.155 CV     1
 ASSI { 1809}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HB3 ))
      1.800     0.400     0.400 peak  1809 spectrum    1 weight  0.10000E+01 volume  0.12238E-01 ppm1      4.152 ppm2      3.843 CV     1
 ASSI { 1812}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name H   ))
      3.100     1.200     1.200 peak  1812 spectrum    1 weight  0.10000E+01 volume  0.14770E-02 ppm1      4.149 ppm2      8.156 CV     1
 ASSI { 1813}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 19   and name H   ))
      2.800     1.000     1.000 peak  1813 spectrum    1 weight  0.10000E+01 volume  0.17880E-02 ppm1      3.844 ppm2      8.148 CV     1
 ASSI { 1814}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 20   and name H   ))
      4.400     2.400     1.600 peak  1814 spectrum    1 weight  0.10000E+01 volume  0.11716E-02 ppm1      4.149 ppm2      8.879 CV     1
 ASSI { 1816}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 19   and name HA  ))
      3.000     1.100     1.100 peak  1816 spectrum    1 weight  0.10000E+01 volume  0.36979E-02 ppm1      3.845 ppm2      4.358 CV     1
 ASSI { 1817}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 18   and name HD2%)
      2.400     0.700     0.700 peak  1817 spectrum    1 weight  0.10000E+01 volume  0.58191E-02 ppm1      4.436 ppm2      0.716 CV     1
 OR { 1817}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 18   and name HD1%)
 ASSI { 1819}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HB2 ))
      3.100     1.200     1.200 peak  1819 spectrum    1 weight  0.10000E+01 volume  0.11105E-02 ppm1      4.437 ppm2      1.484 CV     1
 ASSI { 1824}
   (( segid "    " and resid 18   and name HG  ))
   (  segid "    " and resid 18   and name HD1%)
      2.100     0.600     0.600 peak  1824 spectrum    1 weight  0.10000E+01 volume  0.88618E-02 ppm1      1.756 ppm2      0.708 CV     1
 OR { 1824}
   (( segid "    " and resid 18   and name HG  ))
   (  segid "    " and resid 18   and name HD2%)
 ASSI { 1825}
   (( segid "    " and resid 18   and name HG  ))
   (( segid "    " and resid 18   and name HB3 ))
      3.100     1.200     1.200 peak  1825 spectrum    1 weight  0.10000E+01 volume  0.20099E-02 ppm1      1.756 ppm2      1.259 CV     1
 ASSI { 1826}
   (( segid "    " and resid 18   and name HG  ))
   (( segid "    " and resid 18   and name HA  ))
      2.900     1.100     1.100 peak  1826 spectrum    1 weight  0.10000E+01 volume  0.19711E-02 ppm1      1.755 ppm2      4.448 CV     1
 ASSI { 1827}
   (( segid "    " and resid 18   and name HG  ))
   (( segid "    " and resid 18   and name H   ))
      3.400     1.400     1.400 peak  1827 spectrum    1 weight  0.10000E+01 volume  0.21488E-02 ppm1      1.757 ppm2      8.444 CV     1
 ASSI { 1828}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 18   and name HA  ))
      3.900     1.900     1.900 peak  1828 spectrum    1 weight  0.10000E+01 volume  0.28429E-02 ppm1      0.691 ppm2      4.455 CV     1
 ASSI { 1830}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 18   and name H   ))
      3.900     1.900     1.900 peak  1830 spectrum    1 weight  0.10000E+01 volume  0.16269E-02 ppm1      0.692 ppm2      8.439 CV     1
 ASSI { 1831}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 18   and name HG  ))
      2.200     0.600     0.600 peak  1831 spectrum    1 weight  0.10000E+01 volume  0.82010E-02 ppm1      0.723 ppm2      1.756 CV     1
 ASSI { 1832}
   (  segid "    " and resid 18   and name HD2%)
   (  segid "    " and resid 14   and name HE% )
      1.900     0.400     0.400 peak  1832 spectrum    1 weight  0.10000E+01 volume  0.41366E-02 ppm1      0.721 ppm2      6.678 CV     1
 ASSI { 1833}
   (  segid "    " and resid 18   and name HD2%)
   (  segid "    " and resid 14   and name HD% )
      1.900     0.500     0.500 peak  1833 spectrum    1 weight  0.10000E+01 volume  0.31205E-02 ppm1      0.722 ppm2      7.031 CV     1
 ASSI { 1834}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 19   and name H   ))
      2.600     0.800     0.800 peak  1834 spectrum    1 weight  0.10000E+01 volume  0.14881E-02 ppm1      0.724 ppm2      8.147 CV     1
 ASSI { 1835}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 18   and name H   ))
      3.800     1.800     1.800 peak  1835 spectrum    1 weight  0.10000E+01 volume  0.16769E-02 ppm1      0.722 ppm2      8.445 CV     1
 ASSI { 1836}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB3 ))
      2.600     0.800     0.800 peak  1836 spectrum    1 weight  0.10000E+01 volume  0.30706E-02 ppm1      4.479 ppm2      1.743 CV     1
 ASSI { 1837}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HG2 ))
      3.800     1.800     1.800 peak  1837 spectrum    1 weight  0.10000E+01 volume  0.12549E-02 ppm1      4.476 ppm2      1.860 CV     1
 ASSI { 1838}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HG3 ))
      3.900     1.900     1.900 peak  1838 spectrum    1 weight  0.10000E+01 volume  0.14770E-02 ppm1      4.479 ppm2      2.047 CV     1
 ASSI { 1840}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HD3 ))
      3.500     1.500     1.500 peak  1840 spectrum    1 weight  0.10000E+01 volume  0.10050E-02 ppm1      4.478 ppm2      3.668 CV     1
 ASSI { 1841}
   (( segid "    " and resid 17   and name HD3 ))
   (( segid "    " and resid 16   and name HG2 ))
      3.500     1.500     1.500 peak  1841 spectrum    1 weight  0.10000E+01 volume  0.19656E-02 ppm1      3.670 ppm2      1.230 CV     1
 OR { 1841}
   (( segid "    " and resid 17   and name HD3 ))
   (( segid "    " and resid 16   and name HB3 ))
 OR { 1841}
   (( segid "    " and resid 17   and name HD3 ))
   (( segid "    " and resid 16   and name HG3 ))
 ASSI { 1842}
   (( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 16   and name HG2 ))
      2.200     0.600     0.600 peak  1842 spectrum    1 weight  0.10000E+01 volume  0.25819E-02 ppm1      3.521 ppm2      1.227 CV     1
 OR { 1842}
   (( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 16   and name HG3 ))
 OR { 1842}
   (( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 16   and name HB3 ))
 ASSI { 1844}
   (( segid "    " and resid 4    and name HD2 ))
   (( segid "    " and resid 4    and name HB3 ))
      3.000     1.100     1.100 peak  1844 spectrum    1 weight  0.10000E+01 volume  0.47863E-02 ppm1      3.544 ppm2      2.259 CV     1
 ASSI { 1845}
   (( segid "    " and resid 5    and name HD3 ))
   (( segid "    " and resid 5    and name HD2 ))
      1.400     0.200     0.800 peak  1845 spectrum    1 weight  0.10000E+01 volume  0.29466E-01 ppm1      3.541 ppm2      3.689 CV     1
 ASSI { 1847}
   (( segid "    " and resid 4    and name HD2 ))
   (( segid "    " and resid 4    and name HA  ))
      2.200     0.600     0.600 peak  1847 spectrum    1 weight  0.10000E+01 volume  0.17252E-01 ppm1      3.546 ppm2      4.553 CV     1
 ASSI { 1850}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HA  ))
      2.800     0.900     0.900 peak  1850 spectrum    1 weight  0.10000E+01 volume  0.32538E-02 ppm1      2.196 ppm2      4.489 CV     1
 ASSI { 1851}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HD2 ))
      2.900     1.000     1.000 peak  1851 spectrum    1 weight  0.10000E+01 volume  0.39368E-02 ppm1      2.198 ppm2      3.679 CV     1
 ASSI { 1852}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 17   and name HD3 ))
      2.800     0.900     0.900 peak  1852 spectrum    1 weight  0.10000E+01 volume  0.22154E-02 ppm1      1.752 ppm2      3.672 CV     1
 ASSI { 1853}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HD3 ))
      3.400     1.400     1.400 peak  1853 spectrum    1 weight  0.10000E+01 volume  0.32760E-02 ppm1      2.198 ppm2      3.531 CV     1
 ASSI { 1854}
   (( segid "    " and resid 5    and name HB3 ))
   (( segid "    " and resid 5    and name HD2 ))
      3.300     1.400     1.400 peak  1854 spectrum    1 weight  0.10000E+01 volume  0.25707E-02 ppm1      1.847 ppm2      3.683 CV     1
 ASSI { 1855}
   (( segid "    " and resid 5    and name HB3 ))
   (( segid "    " and resid 5    and name HD3 ))
      3.100     1.200     1.200 peak  1855 spectrum    1 weight  0.10000E+01 volume  0.27819E-02 ppm1      1.852 ppm2      3.540 CV     1
 ASSI { 1856}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 17   and name HG3 ))
      2.200     0.600     0.600 peak  1856 spectrum    1 weight  0.10000E+01 volume  0.52860E-02 ppm1      1.743 ppm2      2.038 CV     1
 ASSI { 1857}
   (( segid "    " and resid 5    and name HB3 ))
   (( segid "    " and resid 5    and name HB2 ))
      1.500     0.300     0.700 peak  1857 spectrum    1 weight  0.10000E+01 volume  0.27874E-01 ppm1      1.849 ppm2      2.200 CV     1
 ASSI { 1858}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 18   and name H   ))
      5.100     3.200     0.900 peak  1858 spectrum    1 weight  0.10000E+01 volume  0.72737E-03 ppm1      2.048 ppm2      8.441 CV     1
 ASSI { 1859}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 17   and name HD3 ))
      2.200     0.600     0.600 peak  1859 spectrum    1 weight  0.10000E+01 volume  0.39201E-02 ppm1      2.050 ppm2      3.665 CV     1
 ASSI { 1860}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 17   and name HD2 ))
      2.600     0.900     0.900 peak  1860 spectrum    1 weight  0.10000E+01 volume  0.37478E-02 ppm1      2.048 ppm2      3.520 CV     1
 ASSI { 1861}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HG3 ))
      1.700     0.400     0.500 peak  1861 spectrum    1 weight  0.10000E+01 volume  0.10938E-01 ppm1      1.862 ppm2      2.042 CV     1
 ASSI { 1864}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HG2 ))
      2.400     0.700     0.700 peak  1864 spectrum    1 weight  0.10000E+01 volume  0.47195E-02 ppm1      4.303 ppm2      1.229 CV     1
 OR { 1864}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB3 ))
 OR { 1864}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HG3 ))
 ASSI { 1865}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.500     0.800     0.800 peak  1865 spectrum    1 weight  0.10000E+01 volume  0.25375E-02 ppm1      4.306 ppm2      1.767 CV     1
 ASSI { 1867}
   (( segid "    " and resid 16   and name HB3 ))
   (  segid "    " and resid 14   and name HE% )
      4.000     2.000     2.000 peak  1867 spectrum    1 weight  0.10000E+01 volume  0.68296E-03 ppm1      1.228 ppm2      6.697 CV     1
 ASSI { 1868}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HA  ))
      3.300     1.300     1.300 peak  1868 spectrum    1 weight  0.10000E+01 volume  0.12382E-02 ppm1      1.221 ppm2      4.300 CV     1
 ASSI { 1869}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 17   and name HD3 ))
      4.500     2.500     1.500 peak  1869 spectrum    1 weight  0.10000E+01 volume  0.89949E-03 ppm1      1.216 ppm2      3.674 CV     1
 ASSI { 1870}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 17   and name HD2 ))
      4.100     2.100     1.900 peak  1870 spectrum    1 weight  0.10000E+01 volume  0.10383E-02 ppm1      1.225 ppm2      3.526 CV     1
 ASSI { 1871}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HE2 ))
      5.100     3.300     0.900 peak  1871 spectrum    1 weight  0.10000E+01 volume  0.58301E-03 ppm1      1.778 ppm2      2.897 CV     1
 OR { 1871}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HE3 ))
 ASSI { 1872}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HE2 ))
      4.600     2.600     1.400 peak  1872 spectrum    1 weight  0.10000E+01 volume  0.69962E-03 ppm1      1.216 ppm2      2.899 CV     1
 OR { 1872}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HE3 ))
 ASSI { 1873}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HB2 ))
      2.000     0.500     0.500 peak  1873 spectrum    1 weight  0.10000E+01 volume  0.34870E-02 ppm1      1.223 ppm2      1.774 CV     1
 ASSI { 1874}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HB3 ))
      1.900     0.400     0.400 peak  1874 spectrum    1 weight  0.10000E+01 volume  0.87840E-02 ppm1      1.772 ppm2      1.225 CV     1
 OR { 1874}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HG3 ))
 OR { 1874}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HG2 ))
 ASSI { 1875}
   (( segid "    " and resid 16   and name HG3 ))
   (  segid "    " and resid 14   and name HE% )
      4.100     2.100     1.900 peak  1875 spectrum    1 weight  0.10000E+01 volume  0.87730E-03 ppm1      1.234 ppm2      6.684 CV     1
 OR { 1875}
   (( segid "    " and resid 16   and name HG2 ))
   (  segid "    " and resid 14   and name HE% )
 ASSI { 1876}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 17   and name HD3 ))
      3.500     1.600     1.600 peak  1876 spectrum    1 weight  0.10000E+01 volume  0.16102E-02 ppm1      1.237 ppm2      3.664 CV     1
 OR { 1876}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 17   and name HD3 ))
 ASSI { 1877}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 17   and name HD2 ))
      2.300     0.700     0.700 peak  1877 spectrum    1 weight  0.10000E+01 volume  0.18713E-02 ppm1      1.229 ppm2      3.520 CV     1
 OR { 1877}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 17   and name HD2 ))
 ASSI { 1878}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HE2 ))
      2.600     0.800     0.800 peak  1878 spectrum    1 weight  0.10000E+01 volume  0.33925E-02 ppm1      1.232 ppm2      2.884 CV     1
 OR { 1878}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HE3 ))
 OR { 1878}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 16   and name HE3 ))
 OR { 1878}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 16   and name HE2 ))
 ASSI { 1879}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 16   and name HB2 ))
      2.300     0.600     0.600 peak  1879 spectrum    1 weight  0.10000E+01 volume  0.54580E-02 ppm1      1.234 ppm2      1.771 CV     1
 OR { 1879}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HB2 ))
 ASSI { 1880}
   (( segid "    " and resid 15   and name HD2 ))
   (( segid "    " and resid 15   and name HA  ))
      3.700     1.700     1.700 peak  1880 spectrum    1 weight  0.10000E+01 volume  0.94392E-03 ppm1      2.798 ppm2      4.335 CV     1
 ASSI { 1881}
   (( segid "    " and resid 15   and name HD3 ))
   (( segid "    " and resid 15   and name HA  ))
      4.500     2.600     1.500 peak  1881 spectrum    1 weight  0.10000E+01 volume  0.10494E-02 ppm1      2.834 ppm2      4.323 CV     1
 ASSI { 1883}
   (( segid "    " and resid 15   and name HD2 ))
   (( segid "    " and resid 15   and name HB3 ))
      3.600     1.600     1.600 peak  1883 spectrum    1 weight  0.10000E+01 volume  0.20989E-02 ppm1      2.810 ppm2      1.841 CV     1
 ASSI { 1884}
   (( segid "    " and resid 15   and name HD2 ))
   (( segid "    " and resid 15   and name HB2 ))
      2.100     0.600     0.600 peak  1884 spectrum    1 weight  0.10000E+01 volume  0.49195E-02 ppm1      2.828 ppm2      1.435 CV     1
 OR { 1884}
   (( segid "    " and resid 15   and name HD3 ))
   (( segid "    " and resid 15   and name HB2 ))
 ASSI { 1885}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HB3 ))
      1.800     0.400     0.400 peak  1885 spectrum    1 weight  0.10000E+01 volume  0.58246E-02 ppm1      1.426 ppm2      1.842 CV     1
 ASSI { 1887}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HA  ))
      2.500     0.800     0.800 peak  1887 spectrum    1 weight  0.10000E+01 volume  0.15269E-02 ppm1      1.428 ppm2      4.331 CV     1
 ASSI { 1888}
   (( segid "    " and resid 15   and name HG2 ))
   (( segid "    " and resid 15   and name HA  ))
      3.900     1.900     1.900 peak  1888 spectrum    1 weight  0.10000E+01 volume  0.14214E-02 ppm1      1.475 ppm2      4.325 CV     1
 ASSI { 1889}
   (( segid "    " and resid 15   and name HG2 ))
   (( segid "    " and resid 15   and name HB3 ))
      2.400     0.700     0.700 peak  1889 spectrum    1 weight  0.10000E+01 volume  0.27208E-02 ppm1      1.472 ppm2      1.848 CV     1
 ASSI { 1890}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 14   and name HD% )
      3.200     1.300     1.300 peak  1890 spectrum    1 weight  0.10000E+01 volume  0.10161E-02 ppm1      4.525 ppm2      7.018 CV     1
 ASSI { 1893}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HB2 ))
      2.900     1.100     1.100 peak  1893 spectrum    1 weight  0.10000E+01 volume  0.12826E-02 ppm1      4.354 ppm2      1.099 CV     1
 ASSI { 1897}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 13   and name H   ))
      3.500     1.500     1.500 peak  1897 spectrum    1 weight  0.10000E+01 volume  0.68296E-03 ppm1      1.929 ppm2      8.545 CV     1
 ASSI { 1898}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 13   and name HA  ))
      3.500     1.500     1.500 peak  1898 spectrum    1 weight  0.10000E+01 volume  0.13159E-02 ppm1      1.920 ppm2      4.353 CV     1
 ASSI { 1900}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HB3 ))
      2.500     0.800     0.800 peak  1900 spectrum    1 weight  0.10000E+01 volume  0.15103E-02 ppm1      1.130 ppm2      1.921 CV     1
 ASSI { 1904}
   (( segid "    " and resid 13   and name HB2 ))
   (  segid "    " and resid 13   and name HD2%)
      4.500     2.500     1.500 peak  1904 spectrum    1 weight  0.10000E+01 volume  0.10161E-02 ppm1      1.126 ppm2      0.566 CV     1
 ASSI { 1905}
   (( segid "    " and resid 13   and name HB2 ))
   (  segid "    " and resid 13   and name HD1%)
      2.900     1.100     1.100 peak  1905 spectrum    1 weight  0.10000E+01 volume  0.15158E-02 ppm1      1.123 ppm2      0.885 CV     1
 ASSI { 1907}
   (( segid "    " and resid 13   and name HG  ))
   (( segid "    " and resid 13   and name HB2 ))
      3.100     1.200     1.200 peak  1907 spectrum    1 weight  0.10000E+01 volume  0.12715E-02 ppm1      1.576 ppm2      1.128 CV     1
 ASSI { 1909}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 13   and name HG  ))
      2.300     0.600     0.600 peak  1909 spectrum    1 weight  0.10000E+01 volume  0.64409E-02 ppm1      0.886 ppm2      1.572 CV     1
 ASSI { 1910}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 13   and name HB3 ))
      3.200     1.300     1.300 peak  1910 spectrum    1 weight  0.10000E+01 volume  0.40144E-02 ppm1      0.883 ppm2      1.920 CV     1
 ASSI { 1911}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 56   and name HD3 ))
      2.100     0.600     0.600 peak  1911 spectrum    1 weight  0.10000E+01 volume  0.17157E-02 ppm1      0.886 ppm2      2.313 CV     1
 ASSI { 1912}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 55   and name HB3 ))
      2.300     0.700     0.700 peak  1912 spectrum    1 weight  0.10000E+01 volume  0.11327E-02 ppm1      0.880 ppm2      2.707 CV     1
 ASSI { 1913}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 55   and name HB2 ))
      2.400     0.700     0.700 peak  1913 spectrum    1 weight  0.10000E+01 volume  0.83843E-03 ppm1      0.883 ppm2      2.837 CV     1
 ASSI { 1914}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 56   and name HD2 ))
      2.000     0.500     0.500 peak  1914 spectrum    1 weight  0.10000E+01 volume  0.23488E-02 ppm1      0.885 ppm2      3.649 CV     1
 ASSI { 1915}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 12   and name HA  ))
      2.300     0.700     0.700 peak  1915 spectrum    1 weight  0.10000E+01 volume  0.11716E-02 ppm1      0.885 ppm2      4.480 CV     1
 ASSI { 1916}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 13   and name HA  ))
      3.100     1.200     1.200 peak  1916 spectrum    1 weight  0.10000E+01 volume  0.59023E-02 ppm1      0.884 ppm2      4.353 CV     1
 ASSI { 1918}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 13   and name H   ))
      4.000     2.000     2.000 peak  1918 spectrum    1 weight  0.10000E+01 volume  0.20321E-02 ppm1      0.882 ppm2      8.552 CV     1
 ASSI { 1919}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 14   and name H   ))
      5.100     3.300     0.900 peak  1919 spectrum    1 weight  0.10000E+01 volume  0.61632E-03 ppm1      0.891 ppm2      8.915 CV     1
 ASSI { 1920}
   (( segid "    " and resid 12   and name HG3 ))
   (( segid "    " and resid 13   and name H   ))
      3.000     1.100     1.100 peak  1920 spectrum    1 weight  0.10000E+01 volume  0.15602E-02 ppm1      2.256 ppm2      8.546 CV     1
 OR { 1920}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 13   and name H   ))
 ASSI { 1921}
   (( segid "    " and resid 12   and name HG3 ))
   (  segid "    " and resid 11   and name HG2%)
      2.200     0.600     0.600 peak  1921 spectrum    1 weight  0.10000E+01 volume  0.14325E-02 ppm1      2.252 ppm2      1.097 CV     1
 OR { 1921}
   (( segid "    " and resid 12   and name HG2 ))
   (  segid "    " and resid 11   and name HG2%)
 ASSI { 1923}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 13   and name H   ))
      4.400     2.400     1.600 peak  1923 spectrum    1 weight  0.10000E+01 volume  0.56635E-03 ppm1      1.898 ppm2      8.540 CV     1
 ASSI { 1927}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 10   and name HA  ))
      2.200     0.600     0.600 peak  1927 spectrum    1 weight  0.10000E+01 volume  0.16047E-02 ppm1      1.088 ppm2      4.523 CV     1
 ASSI { 1928}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 11   and name HB  ))
      2.200     0.600     0.600 peak  1928 spectrum    1 weight  0.10000E+01 volume  0.14997E-01 ppm1      1.087 ppm2      4.247 CV     1
 ASSI { 1932}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HA  ))
      3.700     1.700     1.700 peak  1932 spectrum    1 weight  0.10000E+01 volume  0.79956E-03 ppm1      2.740 ppm2      4.519 CV     1
 ASSI { 1933}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 10   and name HA  ))
      3.700     1.800     1.800 peak  1933 spectrum    1 weight  0.10000E+01 volume  0.72737E-03 ppm1      2.527 ppm2      4.511 CV     1
 ASSI { 1935}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 8    and name HB% )
      2.000     0.500     0.500 peak  1935 spectrum    1 weight  0.10000E+01 volume  0.13054E-01 ppm1      4.291 ppm2      1.302 CV     1
 ASSI { 1937}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 8    and name H   ))
      2.200     0.600     0.600 peak  1937 spectrum    1 weight  0.10000E+01 volume  0.14670E-01 ppm1      1.303 ppm2      8.245 CV     1
 ASSI { 1938}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 7    and name HG2%)
      2.100     0.600     0.600 peak  1938 spectrum    1 weight  0.10000E+01 volume  0.11199E-01 ppm1      4.262 ppm2      1.147 CV     1
 ASSI { 1939}
   (( segid "    " and resid 6    and name HA  ))
   (  segid "    " and resid 7    and name HG2%)
      3.800     1.800     1.800 peak  1939 spectrum    1 weight  0.10000E+01 volume  0.13104E-02 ppm1      4.379 ppm2      1.149 CV     1
 ASSI { 1940}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HB3 ))
      2.200     0.600     0.600 peak  1940 spectrum    1 weight  0.10000E+01 volume  0.10966E-01 ppm1      4.381 ppm2      3.825 CV     1
 OR { 1940}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HB2 ))
 ASSI { 1942}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name H   ))
      2.500     0.800     0.800 peak  1942 spectrum    1 weight  0.10000E+01 volume  0.39368E-02 ppm1      4.380 ppm2      8.355 CV     1
 ASSI { 1943}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 6    and name H   ))
      3.200     1.300     1.300 peak  1943 spectrum    1 weight  0.10000E+01 volume  0.25764E-02 ppm1      3.841 ppm2      8.354 CV     1
 ASSI { 1944}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name H   ))
      3.100     1.200     1.200 peak  1944 spectrum    1 weight  0.10000E+01 volume  0.26041E-02 ppm1      3.811 ppm2      8.358 CV     1
 ASSI { 1945}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 6    and name HA  ))
      2.200     0.600     0.600 peak  1945 spectrum    1 weight  0.10000E+01 volume  0.75293E-02 ppm1      3.840 ppm2      4.381 CV     1
 ASSI { 1946}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HA  ))
      2.600     0.800     0.800 peak  1946 spectrum    1 weight  0.10000E+01 volume  0.84398E-02 ppm1      3.810 ppm2      4.380 CV     1
 ASSI { 1947}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HD2 ))
      3.200     1.300     1.300 peak  1947 spectrum    1 weight  0.10000E+01 volume  0.14936E-02 ppm1      4.375 ppm2      3.693 CV     1
 ASSI { 1948}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HD3 ))
      3.300     1.400     1.400 peak  1948 spectrum    1 weight  0.10000E+01 volume  0.17990E-02 ppm1      4.374 ppm2      3.538 CV     1
 ASSI { 1949}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HB2 ))
      2.300     0.700     0.700 peak  1949 spectrum    1 weight  0.10000E+01 volume  0.11982E-01 ppm1      4.375 ppm2      2.200 CV     1
 ASSI { 1950}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HB3 ))
      2.200     0.600     0.600 peak  1950 spectrum    1 weight  0.10000E+01 volume  0.83399E-02 ppm1      4.376 ppm2      1.861 CV     1
 ASSI { 1951}
   (( segid "    " and resid 4    and name HD2 ))
   (( segid "    " and resid 4    and name HD3 ))
      1.500     0.300     0.700 peak  1951 spectrum    1 weight  0.10000E+01 volume  0.22660E-01 ppm1      3.550 ppm2      3.834 CV     1
 ASSI { 1952}
   (( segid "    " and resid 4    and name HD2 ))
   (  segid "    " and resid 3    and name HD2%)
      3.700     1.700     1.700 peak  1952 spectrum    1 weight  0.10000E+01 volume  0.60023E-02 ppm1      3.549 ppm2      0.842 CV     1
 ASSI { 1954}
   (( segid "    " and resid 4    and name HG2 ))
   (( segid "    " and resid 4    and name HA  ))
      3.300     1.300     1.300 peak  1954 spectrum    1 weight  0.10000E+01 volume  0.26874E-02 ppm1      1.997 ppm2      4.555 CV     1
 ASSI { 1955}
   (( segid "    " and resid 4    and name HG3 ))
   (( segid "    " and resid 4    and name HA  ))
      2.400     0.700     0.700 peak  1955 spectrum    1 weight  0.10000E+01 volume  0.41921E-02 ppm1      1.937 ppm2      4.560 CV     1
 ASSI { 1956}
   (( segid "    " and resid 5    and name HG3 ))
   (( segid "    " and resid 5    and name HA  ))
      3.400     1.500     1.500 peak  1956 spectrum    1 weight  0.10000E+01 volume  0.36646E-02 ppm1      1.921 ppm2      4.374 CV     1
 OR { 1956}
   (( segid "    " and resid 5    and name HG2 ))
   (( segid "    " and resid 5    and name HA  ))
 ASSI { 1957}
   (( segid "    " and resid 5    and name HG2 ))
   (( segid "    " and resid 5    and name HD2 ))
      2.100     0.600     0.600 peak  1957 spectrum    1 weight  0.10000E+01 volume  0.85563E-02 ppm1      1.919 ppm2      3.692 CV     1
 OR { 1957}
   (( segid "    " and resid 5    and name HG3 ))
   (( segid "    " and resid 5    and name HD2 ))
 ASSI { 1958}
   (( segid "    " and resid 5    and name HG2 ))
   (( segid "    " and resid 5    and name HB2 ))
      2.100     0.600     0.600 peak  1958 spectrum    1 weight  0.10000E+01 volume  0.95170E-02 ppm1      1.918 ppm2      2.204 CV     1
 OR { 1958}
   (( segid "    " and resid 5    and name HG3 ))
   (( segid "    " and resid 5    and name HB2 ))
 ASSI { 1959}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HB2 ))
      2.500     0.800     0.800 peak  1959 spectrum    1 weight  0.10000E+01 volume  0.61021E-02 ppm1      4.573 ppm2      1.828 CV     1
 ASSI { 1961}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HB3 ))
      1.800     0.400     0.400 peak  1961 spectrum    1 weight  0.10000E+01 volume  0.10300E-01 ppm1      4.574 ppm2      2.267 CV     1
 ASSI { 1963}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 5    and name HD2 ))
      2.300     0.600     0.600 peak  1963 spectrum    1 weight  0.10000E+01 volume  0.14486E-01 ppm1      4.574 ppm2      3.690 CV     1
 ASSI { 1965}
   (( segid "    " and resid 4    and name HD3 ))
   (( segid "    " and resid 4    and name HA  ))
      2.000     0.500     0.500 peak  1965 spectrum    1 weight  0.10000E+01 volume  0.83509E-02 ppm1      3.839 ppm2      4.539 CV     1
 ASSI { 1967}
   (( segid "    " and resid 4    and name HD3 ))
   (( segid "    " and resid 4    and name HG3 ))
      2.000     0.500     0.500 peak  1967 spectrum    1 weight  0.10000E+01 volume  0.52693E-02 ppm1      3.839 ppm2      1.964 CV     1
 ASSI { 1969}
   (( segid "    " and resid 4    and name HD3 ))
   (( segid "    " and resid 3    and name HB2 ))
      2.500     0.800     0.800 peak  1969 spectrum    1 weight  0.10000E+01 volume  0.23654E-02 ppm1      3.842 ppm2      1.478 CV     1
 OR { 1969}
   (( segid "    " and resid 4    and name HD3 ))
   (( segid "    " and resid 3    and name HB3 ))
 ASSI { 1970}
   (( segid "    " and resid 4    and name HD2 ))
   (( segid "    " and resid 3    and name HB2 ))
      2.500     0.800     0.800 peak  1970 spectrum    1 weight  0.10000E+01 volume  0.54637E-02 ppm1      3.549 ppm2      1.481 CV     1
 OR { 1970}
   (( segid "    " and resid 4    and name HD2 ))
   (( segid "    " and resid 3    and name HB3 ))
 ASSI { 1971}
   (( segid "    " and resid 4    and name HD3 ))
   (  segid "    " and resid 3    and name HD2%)
      4.000     2.000     2.000 peak  1971 spectrum    1 weight  0.10000E+01 volume  0.34426E-02 ppm1      3.840 ppm2      0.843 CV     1
 ASSI { 1975}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 4    and name HD3 ))
      3.500     1.500     1.500 peak  1975 spectrum    1 weight  0.10000E+01 volume  0.15658E-02 ppm1      2.271 ppm2      3.831 CV     1
 ASSI { 1976}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HD3 ))
      3.500     1.500     1.500 peak  1976 spectrum    1 weight  0.10000E+01 volume  0.20543E-02 ppm1      1.823 ppm2      3.834 CV     1
 ASSI { 1977}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 5    and name HD2 ))
      3.400     1.500     1.500 peak  1977 spectrum    1 weight  0.10000E+01 volume  0.25597E-02 ppm1      2.271 ppm2      3.688 CV     1
 ASSI { 1978}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 5    and name HD2 ))
      4.200     2.200     1.800 peak  1978 spectrum    1 weight  0.10000E+01 volume  0.18823E-02 ppm1      1.823 ppm2      3.685 CV     1
 ASSI { 1980}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HD2 ))
      2.600     0.800     0.800 peak  1980 spectrum    1 weight  0.10000E+01 volume  0.55635E-02 ppm1      1.823 ppm2      3.544 CV     1
 ASSI { 1981}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HB3 ))
      1.400     0.300     0.800 peak  1981 spectrum    1 weight  0.10000E+01 volume  0.25725E-01 ppm1      1.824 ppm2      2.268 CV     1
 ASSI { 1983}
   (( segid "    " and resid 4    and name HG2 ))
   (( segid "    " and resid 4    and name HB2 ))
      2.000     0.500     0.500 peak  1983 spectrum    1 weight  0.10000E+01 volume  0.10672E-01 ppm1      1.990 ppm2      1.826 CV     1
 ASSI { 1984}
   (( segid "    " and resid 4    and name HG2 ))
   (( segid "    " and resid 4    and name HB3 ))
      2.500     0.800     0.800 peak  1984 spectrum    1 weight  0.10000E+01 volume  0.53359E-02 ppm1      1.994 ppm2      2.266 CV     1
 ASSI { 1985}
   (( segid "    " and resid 4    and name HG2 ))
   (( segid "    " and resid 4    and name HD2 ))
      2.000     0.500     0.500 peak  1985 spectrum    1 weight  0.10000E+01 volume  0.59911E-02 ppm1      1.991 ppm2      3.548 CV     1
 ASSI { 1986}
   (( segid "    " and resid 4    and name HG2 ))
   (( segid "    " and resid 4    and name HD3 ))
      2.700     0.900     0.900 peak  1986 spectrum    1 weight  0.10000E+01 volume  0.46419E-02 ppm1      1.994 ppm2      3.832 CV     1
 ASSI { 1988}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 77   and name HD3 ))
      2.800     1.000     1.000 peak  1988 spectrum    1 weight  0.10000E+01 volume  0.13143E-01 ppm1      4.533 ppm2      3.742 CV     1
 ASSI { 1991}
   (  segid "    " and resid 3    and name HD2%)
   (( segid "    " and resid 3    and name HA  ))
      3.200     1.300     1.300 peak  1991 spectrum    1 weight  0.10000E+01 volume  0.62799E-02 ppm1      0.841 ppm2      4.536 CV     1
 ASSI { 1992}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HB3 ))
      2.200     0.600     0.600 peak  1992 spectrum    1 weight  0.10000E+01 volume  0.11755E-01 ppm1      4.355 ppm2      1.468 CV     1
 OR { 1992}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HB2 ))
 OR { 1992}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HG  ))
 ASSI { 1993}
   (( segid "    " and resid 2    and name HB3 ))
   (( segid "    " and resid 2    and name HA  ))
      2.300     0.600     0.600 peak  1993 spectrum    1 weight  0.10000E+01 volume  0.75514E-02 ppm1      1.469 ppm2      4.355 CV     1
 OR { 1993}
   (( segid "    " and resid 2    and name HB2 ))
   (( segid "    " and resid 2    and name HA  ))
 ASSI { 1994}
   (( segid "    " and resid 2    and name HG  ))
   (( segid "    " and resid 2    and name HA  ))
      3.300     1.400     1.400 peak  1994 spectrum    1 weight  0.10000E+01 volume  0.28983E-02 ppm1      1.462 ppm2      4.356 CV     1
 ASSI { 1995}
   (  segid "    " and resid 2    and name HD2%)
   (( segid "    " and resid 2    and name HA  ))
      3.400     1.400     1.400 peak  1995 spectrum    1 weight  0.10000E+01 volume  0.41587E-02 ppm1      0.825 ppm2      4.353 CV     1
 ASSI { 1998}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 2    and name HG  ))
      1.900     0.500     0.500 peak  1998 spectrum    1 weight  0.10000E+01 volume  0.30555E-01 ppm1      0.777 ppm2      1.469 CV     1
 OR { 1998}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 2    and name HB3 ))
 OR { 1998}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 2    and name HB2 ))
 ASSI { 2002}
   (( segid "    " and resid 47   and name HB3 ))
   (  segid "    " and resid 48   and name HB% )
      4.000     2.000     2.000 peak  2002 spectrum    1 weight  0.10000E+01 volume  0.11771E-02 ppm1      1.893 ppm2      1.418 CV     1
 ASSI { 2004}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 45   and name HD1%)
      4.000     2.000     2.000 peak  2004 spectrum    1 weight  0.10000E+01 volume  0.26764E-02 ppm1      4.551 ppm2      0.587 CV     1
 OR { 2004}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 45   and name HD2%)
 ASSI { 2005}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 64   and name HD1 ))
      4.700     2.800     1.300 peak  2005 spectrum    1 weight  0.10000E+01 volume  0.47751E-03 ppm1      3.132 ppm2      6.837 CV     1
 ASSI { 2006}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HD2 ))
      3.200     1.300     1.300 peak  2006 spectrum    1 weight  0.10000E+01 volume  0.16769E-02 ppm1      4.588 ppm2      7.121 CV     1
 ASSI { 2008}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HD2 ))
      4.200     2.300     1.800 peak  2008 spectrum    1 weight  0.10000E+01 volume  0.97168E-03 ppm1      3.164 ppm2      7.075 CV     1
 ASSI { 2009}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 67   and name HD2 ))
      3.300     1.400     1.400 peak  2009 spectrum    1 weight  0.10000E+01 volume  0.94948E-03 ppm1      3.080 ppm2      7.074 CV     1
 ASSI { 2010}
   (( segid "    " and resid 39   and name HD2 ))
   (( segid "    " and resid 39   and name HB2 ))
      3.400     1.400     1.400 peak  2010 spectrum    1 weight  0.10000E+01 volume  0.25707E-02 ppm1      7.104 ppm2      3.106 CV     1
 ASSI { 2011}
   (( segid "    " and resid 39   and name HD2 ))
   (( segid "    " and resid 39   and name HA  ))
      4.400     2.400     1.600 peak  2011 spectrum    1 weight  0.10000E+01 volume  0.10328E-02 ppm1      7.104 ppm2      4.620 CV     1
 ASSI { 2013}
   (( segid "    " and resid 64   and name HE3 ))
   (( segid "    " and resid 64   and name HA  ))
      4.600     2.700     1.400 peak  2013 spectrum    1 weight  0.10000E+01 volume  0.68850E-03 ppm1      6.993 ppm2      4.282 CV     1
 ASSI { 2014}
   (( segid "    " and resid 64   and name HE3 ))
   (( segid "    " and resid 64   and name HB3 ))
      4.900     3.000     1.100 peak  2014 spectrum    1 weight  0.10000E+01 volume  0.85508E-03 ppm1      6.993 ppm2      3.036 CV     1
 ASSI { 2015}
   (  segid "    " and resid 65   and name HD% )
   (( segid "    " and resid 65   and name HB3 ))
      3.000     1.100     1.100 peak  2015 spectrum    1 weight  0.10000E+01 volume  0.18768E-02 ppm1      7.168 ppm2      3.001 CV     1
 ASSI { 2016}
   (  segid "    " and resid 65   and name HD% )
   (( segid "    " and resid 65   and name HB2 ))
      3.000     1.100     1.100 peak  2016 spectrum    1 weight  0.10000E+01 volume  0.24208E-02 ppm1      7.167 ppm2      3.137 CV     1
 ASSI { 2020}
   (( segid "    " and resid 55   and name HE1 ))
   (( segid "    " and resid 57   and name HA  ))
      2.500     0.800     0.800 peak  2020 spectrum    1 weight  0.10000E+01 volume  0.66631E-03 ppm1      7.771 ppm2      4.498 CV     1
 ASSI { 2021}
   (( segid "    " and resid 55   and name HE1 ))
   (( segid "    " and resid 57   and name HG3 ))
      1.800     0.400     0.400 peak  2021 spectrum    1 weight  0.10000E+01 volume  0.47030E-02 ppm1      7.761 ppm2      2.390 CV     1
 OR { 2021}
   (( segid "    " and resid 55   and name HE1 ))
   (( segid "    " and resid 57   and name HB2 ))
 OR { 2021}
   (( segid "    " and resid 55   and name HE1 ))
   (( segid "    " and resid 57   and name HG2 ))
 ASSI { 2022}
   (( segid "    " and resid 55   and name HE1 ))
   (( segid "    " and resid 57   and name HB3 ))
      2.100     0.500     0.500 peak  2022 spectrum    1 weight  0.10000E+01 volume  0.19822E-02 ppm1      7.764 ppm2      1.954 CV     1
 ASSI { 2025}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 65   and name H   ))
      4.500     2.500     1.500 peak  2025 spectrum    1 weight  0.10000E+01 volume  0.48307E-03 ppm1      4.118 ppm2      8.133 CV     1
 ASSI { 2027}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 70   and name HB2 ))
      3.600     1.700     1.700 peak  2027 spectrum    1 weight  0.10000E+01 volume  0.10883E-02 ppm1      4.443 ppm2      1.715 CV     1
 ASSI { 2028}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 65   and name HA  ))
      2.300     0.700     0.700 peak  2028 spectrum    1 weight  0.10000E+01 volume  0.10494E-02 ppm1      1.859 ppm2      4.143 CV     1
 ASSI { 2029}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 65   and name HA  ))
      2.500     0.800     0.800 peak  2029 spectrum    1 weight  0.10000E+01 volume  0.71072E-03 ppm1      1.673 ppm2      4.146 CV     1
 ASSI { 2030}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 64   and name HA  ))
      2.300     0.700     0.700 peak  2030 spectrum    1 weight  0.10000E+01 volume  0.11438E-02 ppm1      3.166 ppm2      4.279 CV     1
 ASSI { 2031}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 65   and name HB2 ))
      4.200     2.200     1.800 peak  2031 spectrum    1 weight  0.10000E+01 volume  0.56635E-03 ppm1      4.105 ppm2      3.142 CV     1
 ASSI { 2032}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 64   and name HB2 ))
      4.200     2.200     1.800 peak  2032 spectrum    1 weight  0.10000E+01 volume  0.79956E-03 ppm1      3.986 ppm2      3.125 CV     1
 ASSI { 2034}
   (( segid "    " and resid 64   and name HB3 ))
   (( segid "    " and resid 61   and name HA  ))
      2.600     0.800     0.800 peak  2034 spectrum    1 weight  0.10000E+01 volume  0.54414E-03 ppm1      3.009 ppm2      4.008 CV     1
 ASSI { 2036}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 77   and name HD2 ))
      4.100     2.100     1.900 peak  2036 spectrum    1 weight  0.10000E+01 volume  0.13548E-02 ppm1      0.798 ppm2      3.498 CV     1
 ASSI { 2037}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 40   and name HA  ))
      3.200     1.300     1.300 peak  2037 spectrum    1 weight  0.10000E+01 volume  0.65075E-02 ppm1      0.786 ppm2      4.413 CV     1
 ASSI { 2038}
   (( segid "    " and resid 24   and name HD2 ))
   (( segid "    " and resid 21   and name HA  ))
      2.200     0.600     0.600 peak  2038 spectrum    1 weight  0.10000E+01 volume  0.14714E-02 ppm1      3.150 ppm2      3.784 CV     1
 ASSI { 2039}
   (( segid "    " and resid 24   and name HD3 ))
   (( segid "    " and resid 21   and name HA  ))
      2.200     0.600     0.600 peak  2039 spectrum    1 weight  0.10000E+01 volume  0.14159E-02 ppm1      3.089 ppm2      3.783 CV     1
 ASSI { 2041}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 20   and name HB3 ))
      2.600     0.800     0.800 peak  2041 spectrum    1 weight  0.10000E+01 volume  0.56635E-03 ppm1      1.427 ppm2      2.602 CV     1
 OR { 2041}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 20   and name HB2 ))
 ASSI { 2042}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 77   and name HG2 ))
      3.700     1.700     1.700 peak  2042 spectrum    1 weight  0.10000E+01 volume  0.27041E-02 ppm1      4.531 ppm2      1.872 CV     1
 OR { 2042}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 77   and name HG3 ))
 ASSI { 2043}
   (( segid "    " and resid 22   and name HG  ))
   (( segid "    " and resid 22   and name H   ))
      3.400     1.400     1.400 peak  2043 spectrum    1 weight  0.10000E+01 volume  0.18379E-02 ppm1      1.415 ppm2      7.234 CV     1
 ASSI { 2044}
   (( segid "    " and resid 22   and name HG  ))
   (( segid "    " and resid 23   and name H   ))
      4.500     2.500     1.500 peak  2044 spectrum    1 weight  0.10000E+01 volume  0.88840E-03 ppm1      1.422 ppm2      7.801 CV     1

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   PHE   1           HT1      PHE   1  14.140 -12.949   4.775
    2    H2   PHE   1           HT2      PHE   1  15.586 -13.048   3.901
    3    H3   PHE   1           HT3      PHE   1  14.129 -13.544   3.186
    4    HA   PHE   1           HA       PHE   1  14.916 -10.784   3.934
    5    HB2  PHE   1           HB2      PHE   1  15.863 -11.676   1.816
    6    HB3  PHE   1           HB3      PHE   1  14.232 -12.027   1.261
    7    HD1  PHE   1           HD1      PHE   1  16.544  -9.293   2.176
    8    HD2  PHE   1           HD2      PHE   1  12.904 -10.373   0.256
    9    HE1  PHE   1           HE1      PHE   1  16.391  -7.037   1.203
   10    HE2  PHE   1           HE2      PHE   1  12.744  -8.123  -0.720
   11    HZ   PHE   1           HZ       PHE   1  14.489  -6.452  -0.248
   12    H    LEU   2           H        LEU   2  13.299  -9.686   4.734
   13    HA   LEU   2           HA       LEU   2  10.803  -9.624   3.284
   14    HB2  LEU   2           HB2      LEU   2   9.339 -10.107   5.057
   15    HB3  LEU   2           HB3      LEU   2  10.527 -11.393   5.089
   16    HG   LEU   2           HG       LEU   2  10.708  -8.994   6.908
   17   HD11  LEU   2          HD11      LEU   2   9.364 -11.640   7.426
   18   HD12  LEU   2          HD12      LEU   2   8.571 -10.071   7.291
   19   HD13  LEU   2          HD13      LEU   2   9.673 -10.390   8.631
   20   HD21  LEU   2          HD21      LEU   2  11.890 -11.769   7.052
   21   HD22  LEU   2          HD22      LEU   2  12.094 -10.498   8.259
   22   HD23  LEU   2          HD23      LEU   2  12.760 -10.292   6.637
   23    H    LEU   3           H        LEU   3   9.801  -7.654   3.466
   24    HA   LEU   3           HA       LEU   3  11.344  -5.545   4.677
   25    HB2  LEU   3           HB2      LEU   3   8.847  -5.619   3.023
   26    HB3  LEU   3           HB3      LEU   3   9.310  -4.152   3.862
   27    HG   LEU   3           HG       LEU   3  10.054  -4.034   1.573
   28   HD11  LEU   3          HD11      LEU   3  11.490  -3.012   3.245
   29   HD12  LEU   3          HD12      LEU   3  12.447  -3.655   1.911
   30   HD13  LEU   3          HD13      LEU   3  12.367  -4.531   3.441
   31   HD21  LEU   3          HD21      LEU   3  11.590  -6.570   2.115
   32   HD22  LEU   3          HD22      LEU   3  11.656  -5.610   0.636
   33   HD23  LEU   3          HD23      LEU   3  10.161  -6.427   1.091
   34    HA   PRO   4           HA       PRO   4   9.153  -6.148   8.541
   35    HB2  PRO   4           HB2      PRO   4  10.884  -3.930   9.404
   36    HB3  PRO   4           HB3      PRO   4  10.750  -5.565  10.055
   37    HG2  PRO   4           HG2      PRO   4  12.903  -4.774   8.658
   38    HG3  PRO   4           HG3      PRO   4  12.274  -6.429   8.553
   39    HD2  PRO   4           HD2      PRO   4  11.942  -4.149   6.638
   40    HD3  PRO   4           HD3      PRO   4  12.239  -5.873   6.304
   41    HA   PRO   5           HA       PRO   5   5.981  -3.020   8.267
   42    HB2  PRO   5           HB2      PRO   5   5.977  -3.423  11.228
   43    HB3  PRO   5           HB3      PRO   5   4.622  -3.426  10.090
   44    HG2  PRO   5           HG2      PRO   5   5.567  -5.715  11.061
   45    HG3  PRO   5           HG3      PRO   5   5.067  -5.589   9.363
   46    HD2  PRO   5           HD2      PRO   5   7.810  -5.672  10.531
   47    HD3  PRO   5           HD3      PRO   5   7.214  -6.329   8.993
   48    H    SER   6           H        SER   6   6.175  -0.891   8.204
   49    HA   SER   6           HA       SER   6   6.976   1.196   8.423
   50    HB2  SER   6           HB2      SER   6   7.250   2.073  10.758
   51    HB3  SER   6           HB3      SER   6   5.708   1.282  10.452
   52    HG   SER   6           HG       SER   6   7.494  -0.515  11.363
   53    H    THR   7           H        THR   7   8.843  -0.953   7.926
   54    HA   THR   7           HA       THR   7  11.268   0.618   8.456
   55    HB   THR   7           HB       THR   7  11.264  -2.408   8.295
   56    HG1  THR   7           HG1      THR   7  10.150  -1.331  10.217
   57   HG21  THR   7          HG21      THR   7  13.379  -1.283   7.767
   58   HG22  THR   7          HG22      THR   7  13.492  -2.187   9.278
   59   HG23  THR   7          HG23      THR   7  13.310  -0.433   9.310
   60    H    ALA   8           H        ALA   8   9.813   1.153   6.341
   61    HA   ALA   8           HA       ALA   8  10.305  -0.681   4.158
   62    HB1  ALA   8           HB1      ALA   8   8.818   0.756   2.871
   63    HB2  ALA   8           HB2      ALA   8   8.772   1.914   4.200
   64    HB3  ALA   8           HB3      ALA   8   8.085   0.304   4.408
   65    H    CYS   9           H        CYS   9  12.510  -0.488   3.828
   66    HA   CYS   9           HA       CYS   9  13.178   1.948   2.326
   67    HB2  CYS   9           HB2      CYS   9  14.518   1.692   4.450
   68    HB3  CYS   9           HB3      CYS   9  15.188   0.212   3.779
   69    H    CYS  10           H        CYS  10  11.935   0.505   0.827
   70    HA   CYS  10           HA       CYS  10  13.135  -1.889  -0.142
   71    HB2  CYS  10           HB2      CYS  10  11.010  -0.129  -1.383
   72    HB3  CYS  10           HB3      CYS  10  11.412  -1.763  -1.896
   73    H    THR  11           H        THR  11  14.963  -1.919  -1.266
   74    HA   THR  11           HA       THR  11  15.559   0.204  -3.156
   75    HB   THR  11           HB       THR  11  17.617  -1.252  -3.587
   76    HG1  THR  11           HG1      THR  11  18.001  -2.883  -2.079
   77   HG21  THR  11          HG21      THR  11  17.724   0.734  -2.176
   78   HG22  THR  11          HG22      THR  11  18.709  -0.555  -1.481
   79   HG23  THR  11          HG23      THR  11  17.124  -0.189  -0.799
   80    H    GLN  12           H        GLN  12  13.833  -2.601  -3.059
   81    HA   GLN  12           HA       GLN  12  13.997  -2.946  -5.958
   82    HB2  GLN  12           HB2      GLN  12  13.117  -5.324  -5.422
   83    HB3  GLN  12           HB3      GLN  12  14.823  -4.976  -5.231
   84    HG2  GLN  12           HG2      GLN  12  14.006  -6.345  -3.414
   85    HG3  GLN  12           HG3      GLN  12  14.527  -4.773  -2.820
   86   HE21  GLN  12          HE21      GLN  12  13.099  -3.511  -1.760
   87   HE22  GLN  12          HE22      GLN  12  11.450  -3.919  -1.464
   88    H    LEU  13           H        LEU  13  12.010  -3.574  -7.018
   89    HA   LEU  13           HA       LEU  13   9.576  -2.987  -5.479
   90    HB2  LEU  13           HB2      LEU  13  10.261  -1.834  -8.190
   91    HB3  LEU  13           HB3      LEU  13   8.703  -1.684  -7.399
   92    HG   LEU  13           HG       LEU  13  11.288  -0.557  -6.313
   93   HD11  LEU  13          HD11      LEU  13  10.407   1.615  -6.959
   94   HD12  LEU  13          HD12      LEU  13   8.994   0.840  -7.680
   95   HD13  LEU  13          HD13      LEU  13  10.596   0.572  -8.370
   96   HD21  LEU  13          HD21      LEU  13   9.671  -1.080  -4.567
   97   HD22  LEU  13          HD22      LEU  13   8.424  -0.190  -5.440
   98   HD23  LEU  13          HD23      LEU  13   9.817   0.665  -4.779
   99    H    TYR  14           H        TYR  14   7.813  -4.183  -6.038
  100    HA   TYR  14           HA       TYR  14   8.315  -6.629  -7.414
  101    HB2  TYR  14           HB2      TYR  14   6.771  -6.335  -5.447
  102    HB3  TYR  14           HB3      TYR  14   5.644  -5.524  -6.527
  103    HD1  TYR  14           HD2      TYR  14   7.678  -8.665  -6.738
  104    HD2  TYR  14           HD1      TYR  14   3.843  -6.850  -7.032
  105    HE1  TYR  14           HE2      TYR  14   6.701 -10.844  -7.329
  106    HE2  TYR  14           HE1      TYR  14   2.853  -9.022  -7.621
  107    HH   TYR  14           HH       TYR  14   4.442 -11.948  -7.196
  108    H    ARG  15           H        ARG  15   6.219  -3.847  -8.109
  109    HA   ARG  15           HA       ARG  15   5.732  -2.794 -10.059
  110    HB2  ARG  15           HB2      ARG  15   7.777  -4.702 -11.167
  111    HB3  ARG  15           HB3      ARG  15   6.961  -3.496 -12.151
  112    HG2  ARG  15           HG2      ARG  15   7.894  -1.716 -10.833
  113    HG3  ARG  15           HG3      ARG  15   8.608  -2.876  -9.710
  114    HD2  ARG  15           HD2      ARG  15  10.235  -1.977 -11.338
  115    HD3  ARG  15           HD3      ARG  15  10.054  -3.727 -11.435
  116    HE   ARG  15           HE       ARG  15   8.495  -2.080 -13.274
  117   HH11  ARG  15          HH11      ARG  15  11.184  -4.263 -12.745
  118   HH12  ARG  15          HH12      ARG  15  11.420  -4.579 -14.440
  119   HH21  ARG  15          HH21      ARG  15   8.763  -2.538 -15.494
  120   HH22  ARG  15          HH22      ARG  15  10.042  -3.612 -15.994
  121    H    LYS  16           H        LYS  16   4.606  -5.686  -9.285
  122    HA   LYS  16           HA       LYS  16   3.158  -6.063 -11.811
  123    HB2  LYS  16           HB2      LYS  16   3.581  -7.826  -9.423
  124    HB3  LYS  16           HB3      LYS  16   2.186  -8.084 -10.454
  125    HG2  LYS  16           HG2      LYS  16   3.835  -9.577 -11.198
  126    HG3  LYS  16           HG3      LYS  16   3.796  -8.273 -12.383
  127    HD2  LYS  16           HD2      LYS  16   5.786  -7.308 -11.496
  128    HD3  LYS  16           HD3      LYS  16   5.752  -8.388 -10.099
  129    HE2  LYS  16           HE2      LYS  16   6.107  -9.255 -12.964
  130    HE3  LYS  16           HE3      LYS  16   7.407  -9.073 -11.787
  131    HZ1  LYS  16           HZ1      LYS  16   6.260 -10.759 -10.408
  132    HZ2  LYS  16           HZ2      LYS  16   6.796 -11.361 -11.889
  133    HZ3  LYS  16           HZ3      LYS  16   5.151 -11.008 -11.664
  134    HA   PRO  17           HA       PRO  17  -0.582  -4.374  -9.990
  135    HB2  PRO  17           HB2      PRO  17  -2.394  -5.656 -11.569
  136    HB3  PRO  17           HB3      PRO  17  -1.482  -4.242 -12.105
  137    HG2  PRO  17           HG2      PRO  17  -0.994  -7.137 -12.665
  138    HG3  PRO  17           HG3      PRO  17  -0.864  -5.747 -13.759
  139    HD2  PRO  17           HD2      PRO  17   1.292  -6.917 -12.599
  140    HD3  PRO  17           HD3      PRO  17   1.236  -5.189 -12.997
  141    H    LEU  18           H        LEU  18  -1.045  -5.147  -8.013
  142    HA   LEU  18           HA       LEU  18  -0.874  -7.911  -7.390
  143    HB2  LEU  18           HB2      LEU  18  -1.922  -5.606  -5.752
  144    HB3  LEU  18           HB3      LEU  18  -1.618  -7.218  -5.131
  145    HG   LEU  18           HG       LEU  18   0.436  -5.270  -6.188
  146   HD11  LEU  18          HD11      LEU  18   1.312  -5.365  -3.899
  147   HD12  LEU  18          HD12      LEU  18  -0.030  -6.411  -3.435
  148   HD13  LEU  18          HD13      LEU  18  -0.343  -4.753  -3.948
  149   HD21  LEU  18          HD21      LEU  18   0.996  -7.562  -6.841
  150   HD22  LEU  18          HD22      LEU  18   0.833  -8.081  -5.163
  151   HD23  LEU  18          HD23      LEU  18   2.107  -6.947  -5.618
  152    H    SER  19           H        SER  19  -2.442  -9.371  -6.841
  153    HA   SER  19           HA       SER  19  -4.935  -9.110  -8.179
  154    HB2  SER  19           HB2      SER  19  -4.140 -11.219  -6.164
  155    HB3  SER  19           HB3      SER  19  -5.342 -11.360  -7.448
  156    HG   SER  19           HG       SER  19  -3.307 -10.750  -8.795
  157    H    ASP  20           H        ASP  20  -6.877  -8.513  -7.416
  158    HA   ASP  20           HA       ASP  20  -7.094  -7.023  -5.066
  159    HB2  ASP  20           HB2      ASP  20  -8.611  -6.869  -7.056
  160    HB3  ASP  20           HB3      ASP  20  -9.368  -8.363  -6.509
  161    H    LYS  21           H        LYS  21  -7.553 -10.387  -5.701
  162    HA   LYS  21           HA       LYS  21  -8.993 -11.194  -3.454
  163    HB2  LYS  21           HB2      LYS  21  -6.796 -12.707  -4.878
  164    HB3  LYS  21           HB3      LYS  21  -8.052 -13.407  -3.867
  165    HG2  LYS  21           HG2      LYS  21  -9.745 -12.820  -5.445
  166    HG3  LYS  21           HG3      LYS  21  -8.595 -11.889  -6.407
  167    HD2  LYS  21           HD2      LYS  21  -7.335 -13.952  -6.857
  168    HD3  LYS  21           HD3      LYS  21  -8.535 -14.868  -5.943
  169    HE2  LYS  21           HE2      LYS  21 -10.270 -14.157  -7.519
  170    HE3  LYS  21           HE3      LYS  21  -9.067 -13.246  -8.428
  171    HZ1  LYS  21           HZ1      LYS  21  -9.040 -16.190  -8.020
  172    HZ2  LYS  21           HZ2      LYS  21  -7.922 -15.302  -8.935
  173    HZ3  LYS  21           HZ3      LYS  21  -9.541 -15.401  -9.435
  174    H    LEU  22           H        LEU  22  -5.449 -10.973  -3.911
  175    HA   LEU  22           HA       LEU  22  -4.966 -11.516  -1.141
  176    HB2  LEU  22           HB2      LEU  22  -2.642 -11.099  -1.585
  177    HB3  LEU  22           HB3      LEU  22  -3.307 -12.096  -2.858
  178    HG   LEU  22           HG       LEU  22  -3.533  -9.801  -4.127
  179   HD11  LEU  22          HD11      LEU  22  -2.858  -8.403  -2.244
  180   HD12  LEU  22          HD12      LEU  22  -1.724  -8.255  -3.586
  181   HD13  LEU  22          HD13      LEU  22  -1.302  -9.231  -2.177
  182   HD21  LEU  22          HD21      LEU  22  -0.919 -11.244  -3.721
  183   HD22  LEU  22          HD22      LEU  22  -1.294 -10.162  -5.063
  184   HD23  LEU  22          HD23      LEU  22  -2.186 -11.671  -4.871
  185    H    LEU  23           H        LEU  23  -5.579  -8.683  -3.053
  186    HA   LEU  23           HA       LEU  23  -4.472  -6.743  -1.360
  187    HB2  LEU  23           HB2      LEU  23  -6.784  -6.566  -3.271
  188    HB3  LEU  23           HB3      LEU  23  -6.162  -5.186  -2.398
  189    HG   LEU  23           HG       LEU  23  -4.601  -6.842  -4.385
  190   HD11  LEU  23          HD11      LEU  23  -6.285  -5.459  -5.468
  191   HD12  LEU  23          HD12      LEU  23  -4.668  -4.818  -5.768
  192   HD13  LEU  23          HD13      LEU  23  -5.716  -4.046  -4.578
  193   HD21  LEU  23          HD21      LEU  23  -2.895  -5.088  -4.139
  194   HD22  LEU  23          HD22      LEU  23  -3.155  -5.985  -2.644
  195   HD23  LEU  23          HD23      LEU  23  -3.840  -4.371  -2.834
  196    H    ARG  24           H        ARG  24  -7.629  -8.356  -1.254
  197    HA   ARG  24           HA       ARG  24  -8.764  -6.658   0.700
  198    HB2  ARG  24           HB2      ARG  24 -10.439  -8.324   1.048
  199    HB3  ARG  24           HB3      ARG  24 -10.049  -8.303  -0.664
  200    HG2  ARG  24           HG2      ARG  24  -8.731 -10.313  -0.427
  201    HG3  ARG  24           HG3      ARG  24  -9.000 -10.309   1.319
  202    HD2  ARG  24           HD2      ARG  24 -11.102 -10.620  -0.825
  203    HD3  ARG  24           HD3      ARG  24 -10.503 -11.886   0.248
  204    HE   ARG  24           HE       ARG  24 -11.405 -10.173   2.042
  205   HH11  ARG  24          HH11      ARG  24 -12.891 -11.245  -0.961
  206   HH12  ARG  24          HH12      ARG  24 -14.508 -10.954  -0.398
  207   HH21  ARG  24          HH21      ARG  24 -13.543  -9.791   2.763
  208   HH22  ARG  24          HH22      ARG  24 -14.880 -10.126   1.699
  209    H    LYS  25           H        LYS  25  -6.075  -8.450   1.028
  210    HA   LYS  25           HA       LYS  25  -6.443  -8.834   3.917
  211    HB2  LYS  25           HB2      LYS  25  -4.585 -10.225   1.998
  212    HB3  LYS  25           HB3      LYS  25  -4.502 -10.407   3.746
  213    HG2  LYS  25           HG2      LYS  25  -6.731 -11.341   3.787
  214    HG3  LYS  25           HG3      LYS  25  -6.896 -11.085   2.051
  215    HD2  LYS  25           HD2      LYS  25  -4.818 -12.844   3.345
  216    HD3  LYS  25           HD3      LYS  25  -6.336 -13.421   2.647
  217    HE2  LYS  25           HE2      LYS  25  -5.649 -12.458   0.479
  218    HE3  LYS  25           HE3      LYS  25  -4.111 -11.992   1.202
  219    HZ1  LYS  25           HZ1      LYS  25  -3.653 -14.331   1.651
  220    HZ2  LYS  25           HZ2      LYS  25  -3.907 -14.072  -0.009
  221    HZ3  LYS  25           HZ3      LYS  25  -5.129 -14.773   0.937
  222    H    VAL  26           H        VAL  26  -5.347  -6.605   1.904
  223    HA   VAL  26           HA       VAL  26  -2.802  -6.057   3.228
  224    HB   VAL  26           HB       VAL  26  -4.189  -4.464   1.056
  225   HG11  VAL  26          HG11      VAL  26  -2.006  -3.441   0.712
  226   HG12  VAL  26          HG12      VAL  26  -1.339  -4.402   2.032
  227   HG13  VAL  26          HG13      VAL  26  -2.567  -3.179   2.366
  228   HG21  VAL  26          HG21      VAL  26  -3.639  -6.742   0.321
  229   HG22  VAL  26          HG22      VAL  26  -1.962  -6.482   0.803
  230   HG23  VAL  26          HG23      VAL  26  -2.663  -5.525  -0.502
  231    H    ILE  27           H        ILE  27  -3.387  -5.497   5.279
  232    HA   ILE  27           HA       ILE  27  -5.676  -3.883   5.842
  233    HB   ILE  27           HB       ILE  27  -4.907  -4.044   8.202
  234   HG12  ILE  27          HG12      ILE  27  -2.659  -5.671   6.986
  235   HG13  ILE  27          HG13      ILE  27  -2.484  -4.100   7.761
  236   HG21  ILE  27          HG21      ILE  27  -6.398  -5.716   7.284
  237   HG22  ILE  27          HG22      ILE  27  -5.252  -6.480   8.385
  238   HG23  ILE  27          HG23      ILE  27  -5.029  -6.623   6.642
  239   HD11  ILE  27          HD11      ILE  27  -3.367  -6.650   9.098
  240   HD12  ILE  27          HD12      ILE  27  -3.215  -5.076   9.881
  241   HD13  ILE  27          HD13      ILE  27  -1.783  -5.884   9.240
  242    H    GLN  28           H        GLN  28  -2.452  -3.112   5.066
  243    HA   GLN  28           HA       GLN  28  -2.865  -0.374   5.993
  244    HB2  GLN  28           HB2      GLN  28  -0.604  -2.162   6.829
  245    HB3  GLN  28           HB3      GLN  28  -0.392  -0.418   6.759
  246    HG2  GLN  28           HG2      GLN  28  -2.499  -1.828   8.381
  247    HG3  GLN  28           HG3      GLN  28  -0.953  -1.254   9.008
  248   HE21  GLN  28          HE21      GLN  28  -3.692  -0.495   9.718
  249   HE22  GLN  28          HE22      GLN  28  -3.792   1.211   9.474
  250    H    VAL  29           H        VAL  29  -1.740   1.184   4.881
  251    HA   VAL  29           HA       VAL  29  -0.012   0.282   2.670
  252    HB   VAL  29           HB       VAL  29  -1.658   2.826   2.764
  253   HG11  VAL  29          HG11      VAL  29   0.405   3.083   1.500
  254   HG12  VAL  29          HG12      VAL  29  -0.987   3.075   0.415
  255   HG13  VAL  29          HG13      VAL  29   0.026   1.638   0.558
  256   HG21  VAL  29          HG21      VAL  29  -3.084   0.867   2.493
  257   HG22  VAL  29          HG22      VAL  29  -2.099   0.329   1.133
  258   HG23  VAL  29          HG23      VAL  29  -3.029   1.823   1.012
  259    H    GLU  30           H        GLU  30   2.063   0.761   3.113
  260    HA   GLU  30           HA       GLU  30   2.525   2.977   4.979
  261    HB2  GLU  30           HB2      GLU  30   4.701   1.758   5.488
  262    HB3  GLU  30           HB3      GLU  30   3.216   1.048   6.089
  263    HG2  GLU  30           HG2      GLU  30   3.310  -0.357   3.898
  264    HG3  GLU  30           HG3      GLU  30   5.015   0.111   3.914
  265    H    LEU  31           H        LEU  31   3.477   4.675   4.262
  266    HA   LEU  31           HA       LEU  31   4.570   4.700   1.591
  267    HB2  LEU  31           HB2      LEU  31   3.091   6.493   2.194
  268    HB3  LEU  31           HB3      LEU  31   4.050   6.881   3.608
  269    HG   LEU  31           HG       LEU  31   5.877   7.665   2.184
  270   HD11  LEU  31          HD11      LEU  31   4.043   6.986  -0.112
  271   HD12  LEU  31          HD12      LEU  31   5.567   6.190   0.278
  272   HD13  LEU  31          HD13      LEU  31   5.560   7.876  -0.239
  273   HD21  LEU  31          HD21      LEU  31   4.159   9.254   2.864
  274   HD22  LEU  31          HD22      LEU  31   3.206   8.848   1.436
  275   HD23  LEU  31          HD23      LEU  31   4.772   9.640   1.257
  276    H    GLN  32           H        GLN  32   6.590   4.335   1.191
  277    HA   GLN  32           HA       GLN  32   8.655   4.561   3.181
  278    HB2  GLN  32           HB2      GLN  32   8.838   2.796   1.583
  279    HB3  GLN  32           HB3      GLN  32   8.654   3.915   0.239
  280    HG2  GLN  32           HG2      GLN  32  10.800   4.889   0.694
  281    HG3  GLN  32           HG3      GLN  32  10.973   3.903   2.147
  282   HE21  GLN  32          HE21      GLN  32  12.583   4.097  -0.298
  283   HE22  GLN  32          HE22      GLN  32  12.692   2.481  -0.899
  284    H    GLU  33           H        GLU  33   9.115   6.601   3.781
  285    HA   GLU  33           HA       GLU  33   8.915   8.835   2.041
  286    HB2  GLU  33           HB2      GLU  33  10.274   8.548   4.723
  287    HB3  GLU  33           HB3      GLU  33  10.055  10.076   3.881
  288    HG2  GLU  33           HG2      GLU  33   7.588   9.639   3.941
  289    HG3  GLU  33           HG3      GLU  33   7.926   8.273   5.004
  290    H    ALA  34           H        ALA  34  10.472  10.009   1.009
  291    HA   ALA  34           HA       ALA  34  12.719   8.496   0.063
  292    HB1  ALA  34           HB1      ALA  34  11.386   9.946  -1.406
  293    HB2  ALA  34           HB2      ALA  34  13.099  10.362  -1.433
  294    HB3  ALA  34           HB3      ALA  34  11.965  11.357  -0.520
  295    H    ASP  35           H        ASP  35  12.391  10.047   2.846
  296    HA   ASP  35           HA       ASP  35  15.220  10.313   3.237
  297    HB2  ASP  35           HB2      ASP  35  14.893  12.516   2.365
  298    HB3  ASP  35           HB3      ASP  35  13.429  12.745   3.316
  299    H    GLY  36           H        GLY  36  11.953  10.804   4.439
  300    HA2  GLY  36           HA2      GLY  36  12.644  10.927   7.185
  301    HA3  GLY  36           HA3      GLY  36  11.039  10.650   6.537
  302    H    ASP  37           H        ASP  37  12.727   8.251   5.141
  303    HA   ASP  37           HA       ASP  37  12.875   6.505   7.457
  304    HB2  ASP  37           HB2      ASP  37  10.467   6.489   6.578
  305    HB3  ASP  37           HB3      ASP  37  11.110   5.656   5.164
  306    H    CYS  38           H        CYS  38  12.920   6.605   3.902
  307    HA   CYS  38           HA       CYS  38  15.402   5.022   3.990
  308    HB2  CYS  38           HB2      CYS  38  13.478   3.653   3.208
  309    HB3  CYS  38           HB3      CYS  38  13.207   4.808   1.913
  310    H    HIS  39           H        HIS  39  16.417   5.250   1.574
  311    HA   HIS  39           HA       HIS  39  16.704   8.136   1.248
  312    HB2  HIS  39           HB2      HIS  39  18.699   7.540  -0.145
  313    HB3  HIS  39           HB3      HIS  39  18.783   7.007   1.527
  314    HD1  HIS  39           HD1      HIS  39  18.750   4.470   1.972
  315    HD2  HIS  39           HD2      HIS  39  18.643   5.496  -2.059
  316    HE1  HIS  39           HE1      HIS  39  19.242   2.345   0.712
  317    HE2  HIS  39           HE2      HIS  39  19.381   3.043  -1.707
  318    H    LEU  40           H        LEU  40  14.617   6.084   0.034
  319    HA   LEU  40           HA       LEU  40  14.248   7.741  -2.312
  320    HB2  LEU  40           HB2      LEU  40  13.949   5.956  -3.875
  321    HB3  LEU  40           HB3      LEU  40  15.537   5.786  -3.153
  322    HG   LEU  40           HG       LEU  40  13.415   4.251  -1.814
  323   HD11  LEU  40          HD11      LEU  40  14.293   3.563  -4.615
  324   HD12  LEU  40          HD12      LEU  40  12.669   4.044  -4.117
  325   HD13  LEU  40          HD13      LEU  40  13.353   2.522  -3.543
  326   HD21  LEU  40          HD21      LEU  40  16.160   3.561  -2.865
  327   HD22  LEU  40          HD22      LEU  40  15.152   2.527  -1.852
  328   HD23  LEU  40          HD23      LEU  40  15.769   4.050  -1.216
  329    H    GLN  41           H        GLN  41  12.042   7.338  -3.276
  330    HA   GLN  41           HA       GLN  41  10.200   6.894  -1.035
  331    HB2  GLN  41           HB2      GLN  41  10.136   9.093  -2.194
  332    HB3  GLN  41           HB3      GLN  41   9.682   8.266  -3.679
  333    HG2  GLN  41           HG2      GLN  41   7.657   7.425  -2.553
  334    HG3  GLN  41           HG3      GLN  41   8.097   8.357  -1.122
  335   HE21  GLN  41          HE21      GLN  41   5.728   8.568  -2.780
  336   HE22  GLN  41          HE22      GLN  41   5.680  10.200  -3.345
  337    H    ALA  42           H        ALA  42   8.590   5.422  -1.089
  338    HA   ALA  42           HA       ALA  42   7.837   4.130  -3.571
  339    HB1  ALA  42           HB1      ALA  42   9.040   2.556  -1.294
  340    HB2  ALA  42           HB2      ALA  42   9.708   2.737  -2.919
  341    HB3  ALA  42           HB3      ALA  42   8.199   1.851  -2.676
  342    H    PHE  43           H        PHE  43   5.828   3.109  -3.452
  343    HA   PHE  43           HA       PHE  43   4.358   3.482  -0.932
  344    HB2  PHE  43           HB2      PHE  43   3.544   3.477  -3.805
  345    HB3  PHE  43           HB3      PHE  43   2.389   2.875  -2.623
  346    HD1  PHE  43           HD2      PHE  43   4.269   5.824  -3.751
  347    HD2  PHE  43           HD1      PHE  43   1.277   4.333  -1.121
  348    HE1  PHE  43           HE2      PHE  43   3.563   8.130  -3.259
  349    HE2  PHE  43           HE1      PHE  43   0.562   6.633  -0.622
  350    HZ   PHE  43           HZ       PHE  43   1.706   8.539  -1.690
  351    H    VAL  44           H        VAL  44   4.712   1.630   0.213
  352    HA   VAL  44           HA       VAL  44   4.520  -0.864  -1.314
  353    HB   VAL  44           HB       VAL  44   6.154  -1.835  -0.095
  354   HG11  VAL  44          HG11      VAL  44   7.138   0.155  -1.081
  355   HG12  VAL  44          HG12      VAL  44   7.955  -0.285   0.421
  356   HG13  VAL  44          HG13      VAL  44   6.812   1.058   0.401
  357   HG21  VAL  44          HG21      VAL  44   5.036  -1.789   2.053
  358   HG22  VAL  44          HG22      VAL  44   5.518  -0.106   2.285
  359   HG23  VAL  44          HG23      VAL  44   6.744  -1.376   2.220
  360    H    LEU  45           H        LEU  45   3.259  -2.560  -0.548
  361    HA   LEU  45           HA       LEU  45   1.047  -1.551   1.081
  362    HB2  LEU  45           HB2      LEU  45   1.168  -3.745  -0.982
  363    HB3  LEU  45           HB3      LEU  45  -0.240  -3.438   0.022
  364    HG   LEU  45           HG       LEU  45   0.976  -1.541  -1.985
  365   HD11  LEU  45          HD11      LEU  45  -0.315  -3.327  -3.006
  366   HD12  LEU  45          HD12      LEU  45  -1.172  -1.790  -3.130
  367   HD13  LEU  45          HD13      LEU  45  -1.670  -2.983  -1.930
  368   HD21  LEU  45          HD21      LEU  45   0.165  -0.335  -0.031
  369   HD22  LEU  45          HD22      LEU  45  -1.388  -1.163  -0.156
  370   HD23  LEU  45          HD23      LEU  45  -0.875  -0.053  -1.427
  371    H    HIS  46           H        HIS  46   0.410  -2.472   2.896
  372    HA   HIS  46           HA       HIS  46   2.148  -4.583   3.949
  373    HB2  HIS  46           HB2      HIS  46   2.028  -2.376   5.130
  374    HB3  HIS  46           HB3      HIS  46   0.329  -2.700   5.457
  375    HD1  HIS  46           HD1      HIS  46   3.741  -3.462   6.595
  376    HD2  HIS  46           HD2      HIS  46  -0.120  -4.818   7.327
  377    HE1  HIS  46           HE1      HIS  46   3.883  -4.815   8.717
  378    HE2  HIS  46           HE2      HIS  46   1.511  -5.521   9.209
  379    H    LEU  47           H        LEU  47   1.209  -6.469   3.405
  380    HA   LEU  47           HA       LEU  47  -1.613  -6.928   3.856
  381    HB2  LEU  47           HB2      LEU  47   0.603  -8.881   3.193
  382    HB3  LEU  47           HB3      LEU  47  -1.102  -9.272   3.255
  383    HG   LEU  47           HG       LEU  47  -1.344  -7.463   1.407
  384   HD11  LEU  47          HD11      LEU  47   1.573  -8.159   1.121
  385   HD12  LEU  47          HD12      LEU  47   0.923  -6.581   1.565
  386   HD13  LEU  47          HD13      LEU  47   0.604  -7.247  -0.038
  387   HD21  LEU  47          HD21      LEU  47  -0.956  -9.163  -0.303
  388   HD22  LEU  47          HD22      LEU  47  -1.762  -9.851   1.109
  389   HD23  LEU  47          HD23      LEU  47  -0.038 -10.126   0.856
  390    H    ALA  48           H        ALA  48  -2.134  -8.944   5.230
  391    HA   ALA  48           HA       ALA  48  -1.257  -8.238   7.874
  392    HB1  ALA  48           HB1      ALA  48  -3.592  -8.792   7.415
  393    HB2  ALA  48           HB2      ALA  48  -2.909  -9.853   8.646
  394    HB3  ALA  48           HB3      ALA  48  -3.122 -10.439   6.997
  395    H    GLN  49           H        GLN  49   0.218 -10.055   5.628
  396    HA   GLN  49           HA       GLN  49   1.496 -11.759   7.653
  397    HB2  GLN  49           HB2      GLN  49   1.026 -12.779   4.860
  398    HB3  GLN  49           HB3      GLN  49   1.461 -13.684   6.295
  399    HG2  GLN  49           HG2      GLN  49  -0.742 -14.275   5.984
  400    HG3  GLN  49           HG3      GLN  49  -0.863 -12.985   7.176
  401   HE21  GLN  49          HE21      GLN  49  -0.252 -12.490   3.744
  402   HE22  GLN  49          HE22      GLN  49  -1.752 -11.714   3.404
  403    H    ARG  50           H        ARG  50   1.949  -9.311   5.507
  404    HA   ARG  50           HA       ARG  50   4.727  -9.630   5.148
  405    HB2  ARG  50           HB2      ARG  50   4.747 -10.108   2.699
  406    HB3  ARG  50           HB3      ARG  50   4.171 -11.461   3.667
  407    HG2  ARG  50           HG2      ARG  50   1.871 -10.908   3.119
  408    HG3  ARG  50           HG3      ARG  50   2.412  -9.502   2.202
  409    HD2  ARG  50           HD2      ARG  50   1.859 -11.407   0.763
  410    HD3  ARG  50           HD3      ARG  50   3.552 -10.932   0.624
  411    HE   ARG  50           HE       ARG  50   3.557 -12.907   2.516
  412   HH11  ARG  50          HH11      ARG  50   2.448 -12.686  -0.804
  413   HH12  ARG  50          HH12      ARG  50   2.699 -14.373  -1.139
  414   HH21  ARG  50          HH21      ARG  50   3.887 -15.105   2.091
  415   HH22  ARG  50          HH22      ARG  50   3.491 -15.761   0.528
  416    H    SER  51           H        SER  51   5.603  -8.081   3.481
  417    HA   SER  51           HA       SER  51   3.694  -6.001   2.683
  418    HB2  SER  51           HB2      SER  51   6.411  -5.577   3.957
  419    HB3  SER  51           HB3      SER  51   5.525  -4.308   3.111
  420    HG   SER  51           HG       SER  51   4.547  -3.989   4.926
  421    H    ILE  52           H        ILE  52   3.996  -5.196   0.667
  422    HA   ILE  52           HA       ILE  52   6.213  -6.351  -0.912
  423    HB   ILE  52           HB       ILE  52   3.413  -5.709  -1.882
  424   HG12  ILE  52          HG12      ILE  52   4.723  -8.400  -1.413
  425   HG13  ILE  52          HG13      ILE  52   3.485  -7.684  -0.387
  426   HG21  ILE  52          HG21      ILE  52   5.104  -5.419  -3.616
  427   HG22  ILE  52          HG22      ILE  52   4.102  -6.832  -3.950
  428   HG23  ILE  52          HG23      ILE  52   5.725  -7.039  -3.296
  429   HD11  ILE  52          HD11      ILE  52   3.159  -8.504  -3.261
  430   HD12  ILE  52          HD12      ILE  52   1.915  -7.753  -2.263
  431   HD13  ILE  52          HD13      ILE  52   2.532  -9.353  -1.849
  432    H    CYS  53           H        CYS  53   7.201  -4.948  -2.448
  433    HA   CYS  53           HA       CYS  53   6.774  -2.129  -1.748
  434    HB2  CYS  53           HB2      CYS  53   9.140  -3.362  -3.173
  435    HB3  CYS  53           HB3      CYS  53   9.042  -1.746  -2.483
  436    H    ILE  54           H        ILE  54   5.844  -0.816  -3.126
  437    HA   ILE  54           HA       ILE  54   5.692  -1.616  -5.951
  438    HB   ILE  54           HB       ILE  54   3.613  -0.606  -4.073
  439   HG12  ILE  54          HG12      ILE  54   3.600  -2.571  -6.369
  440   HG13  ILE  54          HG13      ILE  54   3.667  -2.965  -4.654
  441   HG21  ILE  54          HG21      ILE  54   3.610   0.024  -7.013
  442   HG22  ILE  54          HG22      ILE  54   3.557   1.162  -5.667
  443   HG23  ILE  54          HG23      ILE  54   2.183   0.100  -5.976
  444   HD11  ILE  54          HD11      ILE  54   1.438  -3.319  -5.534
  445   HD12  ILE  54          HD12      ILE  54   1.367  -1.646  -6.085
  446   HD13  ILE  54          HD13      ILE  54   1.431  -2.004  -4.359
  447    H    HIS  55           H        HIS  55   6.063  -0.105  -7.496
  448    HA   HIS  55           HA       HIS  55   7.509   2.242  -6.945
  449    HB2  HIS  55           HB2      HIS  55   7.545   1.007  -9.120
  450    HB3  HIS  55           HB3      HIS  55   5.906   1.577  -9.437
  451    HD1  HIS  55           HD1      HIS  55   5.796   3.613 -10.851
  452    HD2  HIS  55           HD2      HIS  55   9.400   3.341  -8.783
  453    HE1  HIS  55           HE1      HIS  55   7.175   5.576 -11.611
  454    HE2  HIS  55           HE2      HIS  55   9.407   5.296 -10.476
  455    HA   PRO  56           HA       PRO  56   4.322   4.909  -5.400
  456    HB2  PRO  56           HB2      PRO  56   5.451   7.262  -6.482
  457    HB3  PRO  56           HB3      PRO  56   5.698   6.623  -4.859
  458    HG2  PRO  56           HG2      PRO  56   7.424   6.404  -7.260
  459    HG3  PRO  56           HG3      PRO  56   7.871   6.430  -5.544
  460    HD2  PRO  56           HD2      PRO  56   7.940   4.172  -7.012
  461    HD3  PRO  56           HD3      PRO  56   7.513   4.164  -5.291
  462    H    GLN  57           H        GLN  57   5.470   5.576  -8.702
  463    HA   GLN  57           HA       GLN  57   2.785   6.311  -9.520
  464    HB2  GLN  57           HB2      GLN  57   5.371   6.036 -11.062
  465    HB3  GLN  57           HB3      GLN  57   3.838   6.429 -11.818
  466    HG2  GLN  57           HG2      GLN  57   5.122   8.427 -11.526
  467    HG3  GLN  57           HG3      GLN  57   3.720   8.477 -10.461
  468   HE21  GLN  57          HE21      GLN  57   4.015   8.611  -8.296
  469   HE22  GLN  57          HE22      GLN  57   5.567   8.754  -7.536
  470    H    ASN  58           H        ASN  58   1.814   4.253  -8.942
  471    HA   ASN  58           HA       ASN  58   1.990   2.378 -11.183
  472    HB2  ASN  58           HB2      ASN  58   3.411   1.507  -9.302
  473    HB3  ASN  58           HB3      ASN  58   1.964   1.446  -8.308
  474   HD21  ASN  58          HD21      ASN  58   2.001  -0.740  -8.033
  475   HD22  ASN  58          HD22      ASN  58   1.696  -1.856  -9.306
  476    HA   PRO  59           HA       PRO  59  -2.428   2.972 -11.005
  477    HB2  PRO  59           HB2      PRO  59  -2.965   0.612 -12.413
  478    HB3  PRO  59           HB3      PRO  59  -2.721   2.211 -13.118
  479    HG2  PRO  59           HG2      PRO  59  -0.803  -0.047 -12.821
  480    HG3  PRO  59           HG3      PRO  59  -0.966   1.126 -14.141
  481    HD2  PRO  59           HD2      PRO  59   1.010   1.322 -12.347
  482    HD3  PRO  59           HD3      PRO  59   0.205   2.772 -12.987
  483    H    SER  60           H        SER  60  -0.821  -0.051 -10.090
  484    HA   SER  60           HA       SER  60  -3.069  -1.324  -8.967
  485    HB2  SER  60           HB2      SER  60  -0.812  -2.394  -9.492
  486    HB3  SER  60           HB3      SER  60  -0.244  -1.690  -7.981
  487    HG   SER  60           HG       SER  60  -2.304  -2.825  -7.158
  488    H    LEU  61           H        LEU  61  -0.836   1.066  -7.685
  489    HA   LEU  61           HA       LEU  61  -1.764   0.787  -4.973
  490    HB2  LEU  61           HB2      LEU  61   0.520   1.715  -5.952
  491    HB3  LEU  61           HB3      LEU  61  -0.352   3.229  -5.976
  492    HG   LEU  61           HG       LEU  61   0.978   3.133  -3.979
  493   HD11  LEU  61          HD11      LEU  61  -0.707   3.383  -2.235
  494   HD12  LEU  61          HD12      LEU  61  -1.910   2.655  -3.300
  495   HD13  LEU  61          HD13      LEU  61  -1.175   4.199  -3.727
  496   HD21  LEU  61          HD21      LEU  61   0.687   1.405  -2.265
  497   HD22  LEU  61          HD22      LEU  61   1.274   0.731  -3.790
  498   HD23  LEU  61          HD23      LEU  61  -0.420   0.541  -3.337
  499    H    SER  62           H        SER  62  -2.243   3.062  -7.658
  500    HA   SER  62           HA       SER  62  -4.023   4.810  -6.386
  501    HB2  SER  62           HB2      SER  62  -3.848   4.045  -9.310
  502    HB3  SER  62           HB3      SER  62  -4.748   5.426  -8.683
  503    HG   SER  62           HG       SER  62  -2.249   5.424  -9.374
  504    H    GLN  63           H        GLN  63  -4.751   1.944  -8.397
  505    HA   GLN  63           HA       GLN  63  -7.544   2.035  -8.078
  506    HB2  GLN  63           HB2      GLN  63  -5.769  -0.383  -8.489
  507    HB3  GLN  63           HB3      GLN  63  -7.516  -0.369  -8.675
  508    HG2  GLN  63           HG2      GLN  63  -7.309   1.230 -10.506
  509    HG3  GLN  63           HG3      GLN  63  -5.555   1.214 -10.317
  510   HE21  GLN  63          HE21      GLN  63  -4.410  -0.658 -10.862
  511   HE22  GLN  63          HE22      GLN  63  -5.076  -1.855 -11.911
  512    H    TRP  64           H        TRP  64  -4.984   0.834  -6.036
  513    HA   TRP  64           HA       TRP  64  -6.624  -0.698  -4.329
  514    HB2  TRP  64           HB2      TRP  64  -4.195  -1.036  -4.423
  515    HB3  TRP  64           HB3      TRP  64  -3.941   0.574  -3.756
  516    HD1  TRP  64           HD1      TRP  64  -3.007   0.151  -1.397
  517    HE1  TRP  64           HE1      TRP  64  -3.761  -1.215   0.650
  518    HE3  TRP  64           HE3      TRP  64  -6.957  -2.356  -3.479
  519    HZ2  TRP  64           HZ2      TRP  64  -5.765  -3.078   1.297
  520    HZ3  TRP  64           HZ3      TRP  64  -8.241  -3.899  -2.071
  521    HH2  TRP  64           HH2      TRP  64  -7.654  -4.255   0.264
  522    H    PHE  65           H        PHE  65  -5.793   2.715  -4.408
  523    HA   PHE  65           HA       PHE  65  -6.821   3.397  -1.886
  524    HB2  PHE  65           HB2      PHE  65  -6.683   4.957  -4.464
  525    HB3  PHE  65           HB3      PHE  65  -7.302   5.651  -2.972
  526    HD1  PHE  65           HD1      PHE  65  -5.353   4.259  -1.096
  527    HD2  PHE  65           HD2      PHE  65  -4.808   6.350  -4.762
  528    HE1  PHE  65           HE1      PHE  65  -3.069   4.863  -0.406
  529    HE2  PHE  65           HE2      PHE  65  -2.525   6.958  -4.079
  530    HZ   PHE  65           HZ       PHE  65  -1.651   6.217  -1.900
  531    H    GLU  66           H        GLU  66  -8.404   3.039  -5.030
  532    HA   GLU  66           HA       GLU  66 -11.016   3.696  -4.155
  533    HB2  GLU  66           HB2      GLU  66 -10.330   1.750  -6.355
  534    HB3  GLU  66           HB3      GLU  66 -11.790   2.712  -6.197
  535    HG2  GLU  66           HG2      GLU  66 -10.581   4.731  -6.677
  536    HG3  GLU  66           HG3      GLU  66  -9.050   3.853  -6.658
  537    H    HIS  67           H        HIS  67  -9.301   0.635  -4.552
  538    HA   HIS  67           HA       HIS  67 -11.490  -1.020  -3.873
  539    HB2  HIS  67           HB2      HIS  67  -8.523  -1.566  -3.987
  540    HB3  HIS  67           HB3      HIS  67  -9.709  -2.809  -3.614
  541    HD1  HIS  67           HD1      HIS  67  -9.291  -4.192  -5.705
  542    HD2  HIS  67           HD2      HIS  67 -10.332  -0.244  -6.520
  543    HE1  HIS  67           HE1      HIS  67  -9.656  -4.076  -8.194
  544    HE2  HIS  67           HE2      HIS  67 -10.171  -1.653  -8.675
  545    H    GLN  68           H        GLN  68  -8.731   0.165  -1.953
  546    HA   GLN  68           HA       GLN  68  -9.337  -1.377   0.337
  547    HB2  GLN  68           HB2      GLN  68  -7.739  -0.081   1.505
  548    HB3  GLN  68           HB3      GLN  68  -7.157  -0.162  -0.152
  549    HG2  GLN  68           HG2      GLN  68  -8.075   2.079  -0.571
  550    HG3  GLN  68           HG3      GLN  68  -8.587   2.166   1.112
  551   HE21  GLN  68          HE21      GLN  68  -5.619   0.677   0.070
  552   HE22  GLN  68          HE22      GLN  68  -4.560   1.856   0.756
  553    H    GLU  69           H        GLU  69 -10.543   1.630  -0.887
  554    HA   GLU  69           HA       GLU  69 -11.769   2.561   1.490
  555    HB2  GLU  69           HB2      GLU  69 -11.316   4.037  -0.402
  556    HB3  GLU  69           HB3      GLU  69 -12.431   3.124  -1.406
  557    HG2  GLU  69           HG2      GLU  69 -14.293   3.827  -0.041
  558    HG3  GLU  69           HG3      GLU  69 -13.201   4.664   1.063
  559    H    ARG  70           H        ARG  70 -12.620   0.112  -0.788
  560    HA   ARG  70           HA       ARG  70 -15.333  -0.014   0.356
  561    HB2  ARG  70           HB2      ARG  70 -15.979  -1.259  -1.679
  562    HB3  ARG  70           HB3      ARG  70 -15.383   0.358  -2.029
  563    HG2  ARG  70           HG2      ARG  70 -13.149  -0.704  -2.522
  564    HG3  ARG  70           HG3      ARG  70 -13.972  -2.264  -2.447
  565    HD2  ARG  70           HD2      ARG  70 -13.840  -1.534  -4.739
  566    HD3  ARG  70           HD3      ARG  70 -15.521  -1.484  -4.208
  567    HE   ARG  70           HE       ARG  70 -14.360   1.038  -3.793
  568   HH11  ARG  70          HH11      ARG  70 -15.344  -1.048  -6.433
  569   HH12  ARG  70          HH12      ARG  70 -15.672   0.282  -7.513
  570   HH21  ARG  70          HH21      ARG  70 -14.796   2.764  -5.203
  571   HH22  ARG  70          HH22      ARG  70 -15.372   2.433  -6.814
  572    H    LYS  71           H        LYS  71 -12.387  -1.452   0.640
  573    HA   LYS  71           HA       LYS  71 -13.564  -4.067   1.312
  574    HB2  LYS  71           HB2      LYS  71 -10.793  -3.472   0.248
  575    HB3  LYS  71           HB3      LYS  71 -11.392  -5.064   0.694
  576    HG2  LYS  71           HG2      LYS  71 -12.872  -5.147  -1.110
  577    HG3  LYS  71           HG3      LYS  71 -12.779  -3.405  -1.382
  578    HD2  LYS  71           HD2      LYS  71 -11.533  -4.552  -3.099
  579    HD3  LYS  71           HD3      LYS  71 -10.413  -3.680  -2.050
  580    HE2  LYS  71           HE2      LYS  71  -9.396  -5.742  -2.310
  581    HE3  LYS  71           HE3      LYS  71 -10.239  -5.884  -0.767
  582    HZ1  LYS  71           HZ1      LYS  71 -10.598  -7.854  -2.079
  583    HZ2  LYS  71           HZ2      LYS  71 -11.159  -6.946  -3.392
  584    HZ3  LYS  71           HZ3      LYS  71 -12.065  -7.014  -1.953
  585    H    LEU  72           H        LEU  72 -10.923  -4.913   2.414
  586    HA   LEU  72           HA       LEU  72 -10.073  -5.192   4.472
  587    HB2  LEU  72           HB2      LEU  72 -10.151  -2.188   4.406
  588    HB3  LEU  72           HB3      LEU  72  -9.274  -3.134   5.595
  589    HG   LEU  72           HG       LEU  72  -7.656  -2.545   4.045
  590   HD11  LEU  72          HD11      LEU  72  -8.652  -5.248   3.212
  591   HD12  LEU  72          HD12      LEU  72  -7.547  -4.902   4.543
  592   HD13  LEU  72          HD13      LEU  72  -7.045  -4.602   2.877
  593   HD21  LEU  72          HD21      LEU  72  -9.573  -3.278   1.865
  594   HD22  LEU  72          HD22      LEU  72  -7.919  -2.700   1.639
  595   HD23  LEU  72          HD23      LEU  72  -9.134  -1.641   2.359
  596    H    HIS  73           H        HIS  73 -13.081  -4.824   4.258
  597    HA   HIS  73           HA       HIS  73 -14.821  -5.140   5.685
  598    HB2  HIS  73           HB2      HIS  73 -13.139  -6.513   6.942
  599    HB3  HIS  73           HB3      HIS  73 -12.766  -5.089   7.903
  600    HD1  HIS  73           HD1      HIS  73 -14.399  -4.459   9.774
  601    HD2  HIS  73           HD2      HIS  73 -15.680  -7.679   7.468
  602    HE1  HIS  73           HE1      HIS  73 -16.308  -5.489  11.044
  603    HE2  HIS  73           HE2      HIS  73 -17.031  -7.474   9.672
  604    H    GLY  74           H        GLY  74 -12.939  -2.424   5.609
  605    HA2  GLY  74           HA2      GLY  74 -13.932  -0.263   5.859
  606    HA3  GLY  74           HA3      GLY  74 -14.947  -0.914   7.136
  607    H    THR  75           H        THR  75 -11.558  -1.691   7.095
  608    HA   THR  75           HA       THR  75 -11.125   0.283   9.241
  609    HB   THR  75           HB       THR  75  -9.343  -1.293  10.095
  610    HG1  THR  75           HG1      THR  75  -9.669  -2.572   7.941
  611   HG21  THR  75          HG21      THR  75 -11.523  -1.063  11.194
  612   HG22  THR  75          HG22      THR  75 -10.912  -2.714  11.303
  613   HG23  THR  75          HG23      THR  75 -12.182  -2.320  10.145
  614    H    LEU  76           H        LEU  76  -9.738   1.815   8.708
  615    HA   LEU  76           HA       LEU  76  -7.395   1.200   7.121
  616    HB2  LEU  76           HB2      LEU  76  -9.521   3.170   6.341
  617    HB3  LEU  76           HB3      LEU  76  -7.853   3.419   5.862
  618    HG   LEU  76           HG       LEU  76  -9.586   1.063   5.137
  619   HD11  LEU  76          HD11      LEU  76 -10.151   3.094   3.923
  620   HD12  LEU  76          HD12      LEU  76  -9.355   1.935   2.857
  621   HD13  LEU  76          HD13      LEU  76  -8.455   3.317   3.486
  622   HD21  LEU  76          HD21      LEU  76  -6.729   1.664   4.367
  623   HD22  LEU  76          HD22      LEU  76  -7.702   0.313   3.783
  624   HD23  LEU  76          HD23      LEU  76  -7.247   0.404   5.486
  625    HA   PRO  77           HA       PRO  77  -5.611   4.161   9.878
  626    HB2  PRO  77           HB2      PRO  77  -3.316   4.646   8.665
  627    HB3  PRO  77           HB3      PRO  77  -3.738   2.989   9.133
  628    HG2  PRO  77           HG2      PRO  77  -4.021   4.283   6.441
  629    HG3  PRO  77           HG3      PRO  77  -3.258   2.735   6.851
  630    HD2  PRO  77           HD2      PRO  77  -5.833   2.959   5.975
  631    HD3  PRO  77           HD3      PRO  77  -5.272   1.655   7.044
  632    H    LYS  78           H        LYS  78  -4.389   6.410   9.721
  633    HA   LYS  78           HA       LYS  78  -6.216   8.173   8.316
  634    HB2  LYS  78           HB2      LYS  78  -3.923   8.823  10.171
  635    HB3  LYS  78           HB3      LYS  78  -5.061   9.989   9.513
  636    HG2  LYS  78           HG2      LYS  78  -5.683   7.733  11.406
  637    HG3  LYS  78           HG3      LYS  78  -5.670   9.457  11.774
  638    HD2  LYS  78           HD2      LYS  78  -7.497   9.765  10.112
  639    HD3  LYS  78           HD3      LYS  78  -7.558   8.012   9.917
  640    HE2  LYS  78           HE2      LYS  78  -8.127   9.598  12.415
  641    HE3  LYS  78           HE3      LYS  78  -9.282   8.682  11.450
  642    HZ1  LYS  78           HZ1      LYS  78  -7.916   6.668  12.025
  643    HZ2  LYS  78           HZ2      LYS  78  -8.769   7.372  13.312
  644    HZ3  LYS  78           HZ3      LYS  78  -7.101   7.633  13.161
  645    H    LEU  79           H        LEU  79  -5.473   7.503   6.198
  646    HA   LEU  79           HA       LEU  79  -2.917   8.721   5.439
  647    HB2  LEU  79           HB2      LEU  79  -4.679   6.698   4.075
  648    HB3  LEU  79           HB3      LEU  79  -3.367   7.510   3.242
  649    HG   LEU  79           HG       LEU  79  -3.019   5.823   5.717
  650   HD11  LEU  79          HD11      LEU  79  -2.538   5.169   2.814
  651   HD12  LEU  79          HD12      LEU  79  -3.743   4.435   3.874
  652   HD13  LEU  79          HD13      LEU  79  -2.025   4.175   4.178
  653   HD21  LEU  79          HD21      LEU  79  -1.314   7.542   5.449
  654   HD22  LEU  79          HD22      LEU  79  -1.018   7.001   3.795
  655   HD23  LEU  79          HD23      LEU  79  -0.647   5.936   5.152
  656    H    ASN  80           H        ASN  80  -3.041  10.719   4.774
  657    HA   ASN  80           HA       ASN  80  -5.475  11.733   3.533
  658    HB2  ASN  80           HB2      ASN  80  -2.947  13.112   4.466
  659    HB3  ASN  80           HB3      ASN  80  -4.243  13.945   3.607
  660   HD21  ASN  80          HD21      ASN  80  -3.257  12.452   6.568
  661   HD22  ASN  80          HD22      ASN  80  -4.590  13.004   7.531
  662    H    PHE  81           H        PHE  81  -4.774  10.024   1.885
  663    HA   PHE  81           HA       PHE  81  -2.553  10.696   0.188
  664    HB2  PHE  81           HB2      PHE  81  -3.270   8.660  -1.053
  665    HB3  PHE  81           HB3      PHE  81  -2.978   8.380   0.649
  666    HD1  PHE  81           HD2      PHE  81  -5.625   8.744  -1.909
  667    HD2  PHE  81           HD1      PHE  81  -4.686   7.616   2.085
  668    HE1  PHE  81           HE2      PHE  81  -7.857   7.737  -1.672
  669    HE2  PHE  81           HE1      PHE  81  -6.914   6.607   2.329
  670    HZ   PHE  81           HZ       PHE  81  -8.505   6.666   0.450
  671    H    GLY  82           H        GLY  82  -4.490  12.731   0.252
  672    HA2  GLY  82           HA2      GLY  82  -6.294  12.544  -1.961
  673    HA3  GLY  82           HA3      GLY  82  -5.929  13.988  -1.031
  674    H    MET  83           H        MET  83  -2.967  13.141  -1.777
  675    HA   MET  83           HA       MET  83  -2.827  14.912  -4.036
  676    HB2  MET  83           HB2      MET  83  -0.439  14.727  -3.869
  677    HB3  MET  83           HB3      MET  83  -1.090  14.888  -2.248
  678    HG2  MET  83           HG2      MET  83  -0.192  12.318  -3.526
  679    HG3  MET  83           HG3      MET  83   0.735  13.270  -2.373
  680    HE1  MET  83           HE1      MET  83   0.278  10.208  -1.920
  681    HE2  MET  83           HE2      MET  83  -0.181  10.170  -0.217
  682    HE3  MET  83           HE3      MET  83   1.106  11.247  -0.759
  683    H    LEU  84           H        LEU  84  -3.259  11.598  -3.618
  684    HA   LEU  84           HA       LEU  84  -2.559  11.129  -6.436
  685    HB2  LEU  84           HB2      LEU  84  -2.400   9.392  -4.053
  686    HB3  LEU  84           HB3      LEU  84  -3.002   8.625  -5.509
  687    HG   LEU  84           HG       LEU  84  -0.926   9.393  -6.690
  688   HD11  LEU  84          HD11      LEU  84   0.991  10.060  -5.328
  689   HD12  LEU  84          HD12      LEU  84  -0.044  10.113  -3.901
  690   HD13  LEU  84          HD13      LEU  84  -0.319  11.238  -5.233
  691   HD21  LEU  84          HD21      LEU  84  -0.536   7.618  -4.284
  692   HD22  LEU  84          HD22      LEU  84   0.510   7.677  -5.704
  693   HD23  LEU  84          HD23      LEU  84  -1.156   7.115  -5.857
  694    H    ARG  85           H        ARG  85  -4.755   9.354  -4.296
  695    HA   ARG  85           HA       ARG  85  -6.819   8.471  -4.734
  696    HB2  ARG  85           HB2      ARG  85  -7.196  11.415  -5.201
  697    HB3  ARG  85           HB3      ARG  85  -8.542  10.281  -5.234
  698    HG2  ARG  85           HG2      ARG  85  -8.086   9.647  -2.936
  699    HG3  ARG  85           HG3      ARG  85  -6.697  10.736  -2.899
  700    HD2  ARG  85           HD2      ARG  85  -8.071  12.651  -3.081
  701    HD3  ARG  85           HD3      ARG  85  -9.479  11.692  -3.532
  702    HE   ARG  85           HE       ARG  85  -9.051  10.736  -1.121
  703   HH11  ARG  85          HH11      ARG  85  -8.939  14.070  -2.208
  704   HH12  ARG  85          HH12      ARG  85  -9.451  14.714  -0.677
  705   HH21  ARG  85          HH21      ARG  85  -9.698  11.598   0.906
  706   HH22  ARG  85          HH22      ARG  85  -9.865  13.316   1.099
  707    H    LYS  86           H        LYS  86  -5.767   7.425  -6.706
  708    HA   LYS  86           HA       LYS  86  -6.265   6.454  -8.696
  709    HB2  LYS  86           HB2      LYS  86  -8.639   6.898  -8.092
  710    HB3  LYS  86           HB3      LYS  86  -8.526   8.444  -8.920
  711    HG2  LYS  86           HG2      LYS  86  -9.617   6.801 -10.316
  712    HG3  LYS  86           HG3      LYS  86  -8.069   7.276 -11.023
  713    HD2  LYS  86           HD2      LYS  86  -7.029   5.266 -10.190
  714    HD3  LYS  86           HD3      LYS  86  -8.505   4.820  -9.334
  715    HE2  LYS  86           HE2      LYS  86  -9.668   4.748 -11.539
  716    HE3  LYS  86           HE3      LYS  86  -8.100   4.991 -12.311
  717    HZ1  LYS  86           HZ1      LYS  86  -8.713   2.758 -10.458
  718    HZ2  LYS  86           HZ2      LYS  86  -7.308   2.960 -11.391
  719    HZ3  LYS  86           HZ3      LYS  86  -8.788   2.628 -12.149
  720    H    MET  87           H        MET  87  -5.877   9.867  -8.471
  721    HA   MET  87           HA       MET  87  -5.381  10.256 -11.296
  722    HB2  MET  87           HB2      MET  87  -5.059  12.130  -8.944
  723    HB3  MET  87           HB3      MET  87  -4.904  12.590 -10.635
  724    HG2  MET  87           HG2      MET  87  -7.210  12.108 -11.045
  725    HG3  MET  87           HG3      MET  87  -7.402  11.433  -9.427
  726    HE1  MET  87           HE1      MET  87  -6.983  14.608  -7.173
  727    HE2  MET  87           HE2      MET  87  -5.721  13.482  -7.674
  728    HE3  MET  87           HE3      MET  87  -7.309  12.872  -7.201
  729    H    GLY  88           H        GLY  88  -3.671   8.437  -9.671
  730    HA2  GLY  88           HA2      GLY  88  -1.093   9.684 -10.375
  731    HA3  GLY  88           HA3      GLY  88  -1.281   8.690  -8.933
  Start of MODEL    2
    1    H1   PHE   1           HT1      PHE   1  10.796 -12.978   5.842
    2    H2   PHE   1           HT2      PHE   1  12.263 -12.899   4.995
    3    H3   PHE   1           HT3      PHE   1  10.802 -12.568   4.200
    4    HA   PHE   1           HA       PHE   1  11.890 -10.976   6.444
    5    HB2  PHE   1           HB2      PHE   1  12.376  -9.252   4.711
    6    HB3  PHE   1           HB3      PHE   1  13.363 -10.696   4.558
    7    HD1  PHE   1           HD2      PHE   1  12.800 -12.365   2.760
    8    HD2  PHE   1           HD1      PHE   1  11.028  -8.499   2.949
    9    HE1  PHE   1           HE2      PHE   1  12.142 -12.553   0.400
   10    HE2  PHE   1           HE1      PHE   1  10.375  -8.683   0.586
   11    HZ   PHE   1           HZ       PHE   1  10.929 -10.712  -0.689
   12    H    LEU   2           H        LEU   2  10.230 -10.237   7.512
   13    HA   LEU   2           HA       LEU   2   7.933  -9.194   5.999
   14    HB2  LEU   2           HB2      LEU   2   7.385 -10.841   7.753
   15    HB3  LEU   2           HB3      LEU   2   8.194  -9.843   8.943
   16    HG   LEU   2           HG       LEU   2   5.926  -8.629   7.426
   17   HD11  LEU   2          HD11      LEU   2   4.329  -9.576   9.036
   18   HD12  LEU   2          HD12      LEU   2   5.606 -10.609   9.680
   19   HD13  LEU   2          HD13      LEU   2   5.055 -10.820   8.018
   20   HD21  LEU   2          HD21      LEU   2   5.522  -7.543   9.585
   21   HD22  LEU   2          HD22      LEU   2   7.182  -7.292   9.043
   22   HD23  LEU   2          HD23      LEU   2   6.836  -8.478  10.302
   23    H    LEU   3           H        LEU   3   8.074  -7.079   5.601
   24    HA   LEU   3           HA       LEU   3   9.833  -5.367   7.036
   25    HB2  LEU   3           HB2      LEU   3   7.667  -4.844   5.013
   26    HB3  LEU   3           HB3      LEU   3   8.499  -3.530   5.818
   27    HG   LEU   3           HG       LEU   3   9.511  -3.839   3.682
   28   HD11  LEU   3          HD11      LEU   3  11.824  -4.360   4.292
   29   HD12  LEU   3          HD12      LEU   3  11.262  -5.030   5.825
   30   HD13  LEU   3          HD13      LEU   3  11.044  -3.314   5.479
   31   HD21  LEU   3          HD21      LEU   3  10.525  -5.960   2.986
   32   HD22  LEU   3          HD22      LEU   3   8.781  -6.103   3.206
   33   HD23  LEU   3          HD23      LEU   3   9.879  -6.735   4.433
   34    HA   PRO   4           HA       PRO   4   7.302  -4.974  10.673
   35    HB2  PRO   4           HB2      PRO   4   9.004  -2.529  10.892
   36    HB3  PRO   4           HB3      PRO   4   8.649  -3.765  12.106
   37    HG2  PRO   4           HG2      PRO   4  10.998  -3.738  10.856
   38    HG3  PRO   4           HG3      PRO   4  10.178  -5.269  11.211
   39    HD2  PRO   4           HD2      PRO   4  10.452  -3.824   8.621
   40    HD3  PRO   4           HD3      PRO   4  10.401  -5.574   8.941
   41    HA   PRO   5           HA       PRO   5   3.989  -2.439   9.253
   42    HB2  PRO   5           HB2      PRO   5   3.661  -1.926  12.178
   43    HB3  PRO   5           HB3      PRO   5   2.456  -2.420  10.982
   44    HG2  PRO   5           HG2      PRO   5   3.450  -4.197  12.679
   45    HG3  PRO   5           HG3      PRO   5   3.184  -4.632  10.980
   46    HD2  PRO   5           HD2      PRO   5   5.735  -4.008  12.400
   47    HD3  PRO   5           HD3      PRO   5   5.421  -5.178  11.102
   48    H    SER   6           H        SER   6   4.313  -0.534   8.357
   49    HA   SER   6           HA       SER   6   4.601   1.691   8.087
   50    HB2  SER   6           HB2      SER   6   4.469   1.796  11.111
   51    HB3  SER   6           HB3      SER   6   4.351   3.188  10.030
   52    HG   SER   6           HG       SER   6   2.599   1.546   9.101
   53    H    THR   7           H        THR   7   6.828  -0.298   8.877
   54    HA   THR   7           HA       THR   7   8.944   1.740   9.114
   55    HB   THR   7           HB       THR   7   9.321  -1.236   9.494
   56    HG1  THR   7           HG1      THR   7   7.781   0.119  10.999
   57   HG21  THR   7          HG21      THR   7  11.292  -0.529  10.778
   58   HG22  THR   7          HG22      THR   7  10.898   1.160  10.458
   59   HG23  THR   7          HG23      THR   7  11.352   0.095   9.129
   60    H    ALA   8           H        ALA   8   8.327   2.126   6.821
   61    HA   ALA   8           HA       ALA   8   8.799  -0.094   4.997
   62    HB1  ALA   8           HB1      ALA   8   6.708   1.171   4.815
   63    HB2  ALA   8           HB2      ALA   8   7.667   1.255   3.337
   64    HB3  ALA   8           HB3      ALA   8   7.632   2.628   4.444
   65    H    CYS   9           H        CYS   9  10.864  -0.327   4.482
   66    HA   CYS   9           HA       CYS   9  11.977   1.794   2.839
   67    HB2  CYS   9           HB2      CYS   9  13.065   2.018   5.084
   68    HB3  CYS   9           HB3      CYS   9  13.675   0.375   4.904
   69    H    CYS  10           H        CYS  10  11.774   0.717   0.965
   70    HA   CYS  10           HA       CYS  10  12.560  -2.111   0.903
   71    HB2  CYS  10           HB2      CYS  10  10.744  -0.522  -0.916
   72    HB3  CYS  10           HB3      CYS  10  11.164  -2.217  -1.152
   73    H    THR  11           H        THR  11  14.252  -2.741  -0.225
   74    HA   THR  11           HA       THR  11  15.606  -0.818  -1.960
   75    HB   THR  11           HB       THR  11  17.405  -2.670  -1.934
   76    HG1  THR  11           HG1      THR  11  16.992  -4.380  -0.758
   77   HG21  THR  11          HG21      THR  11  16.665  -1.245   0.627
   78   HG22  THR  11          HG22      THR  11  17.618  -0.573  -0.697
   79   HG23  THR  11          HG23      THR  11  18.249  -1.921   0.249
   80    H    GLN  12           H        GLN  12  13.223  -2.913  -2.338
   81    HA   GLN  12           HA       GLN  12  13.871  -3.398  -5.113
   82    HB2  GLN  12           HB2      GLN  12  12.874  -5.784  -4.821
   83    HB3  GLN  12           HB3      GLN  12  14.567  -5.495  -4.473
   84    HG2  GLN  12           HG2      GLN  12  13.551  -6.956  -2.823
   85    HG3  GLN  12           HG3      GLN  12  14.095  -5.450  -2.093
   86   HE21  GLN  12          HE21      GLN  12  12.673  -4.213  -1.034
   87   HE22  GLN  12          HE22      GLN  12  10.987  -4.548  -0.893
   88    H    LEU  13           H        LEU  13  11.948  -4.024  -6.393
   89    HA   LEU  13           HA       LEU  13   9.430  -3.231  -5.117
   90    HB2  LEU  13           HB2      LEU  13  10.489  -2.052  -7.689
   91    HB3  LEU  13           HB3      LEU  13   8.893  -1.763  -7.027
   92    HG   LEU  13           HG       LEU  13  11.470  -0.972  -5.659
   93   HD11  LEU  13          HD11      LEU  13  10.910   1.307  -6.323
   94   HD12  LEU  13          HD12      LEU  13   9.522   0.708  -7.230
   95   HD13  LEU  13          HD13      LEU  13  11.156   0.276  -7.731
   96   HD21  LEU  13          HD21      LEU  13   9.662  -1.326  -4.092
   97   HD22  LEU  13          HD22      LEU  13   8.582  -0.333  -5.070
   98   HD23  LEU  13          HD23      LEU  13   9.967   0.403  -4.265
   99    H    TYR  14           H        TYR  14   7.610  -4.134  -5.971
  100    HA   TYR  14           HA       TYR  14   7.982  -6.494  -7.592
  101    HB2  TYR  14           HB2      TYR  14   6.420  -6.226  -5.571
  102    HB3  TYR  14           HB3      TYR  14   5.354  -5.346  -6.658
  103    HD1  TYR  14           HD2      TYR  14   4.195  -6.526  -8.487
  104    HD2  TYR  14           HD1      TYR  14   6.686  -8.596  -5.729
  105    HE1  TYR  14           HE2      TYR  14   3.193  -8.661  -9.192
  106    HE2  TYR  14           HE1      TYR  14   5.692 -10.733  -6.423
  107    HH   TYR  14           HH       TYR  14   3.599 -11.542  -7.432
  108    H    ARG  15           H        ARG  15   6.514  -3.327  -7.899
  109    HA   ARG  15           HA       ARG  15   6.049  -2.010  -9.688
  110    HB2  ARG  15           HB2      ARG  15   7.094  -4.255 -11.420
  111    HB3  ARG  15           HB3      ARG  15   6.770  -2.609 -11.939
  112    HG2  ARG  15           HG2      ARG  15   8.551  -1.803 -10.456
  113    HG3  ARG  15           HG3      ARG  15   8.884  -3.469  -9.970
  114    HD2  ARG  15           HD2      ARG  15   9.271  -3.995 -12.392
  115    HD3  ARG  15           HD3      ARG  15   9.159  -2.268 -12.721
  116    HE   ARG  15           HE       ARG  15  11.078  -2.678 -10.713
  117   HH11  ARG  15          HH11      ARG  15  10.577  -3.323 -14.109
  118   HH12  ARG  15          HH12      ARG  15  12.268  -3.319 -14.507
  119   HH21  ARG  15          HH21      ARG  15  13.322  -2.651 -11.215
  120   HH22  ARG  15          HH22      ARG  15  13.832  -2.932 -12.853
  121    H    LYS  16           H        LYS  16   5.310  -5.371 -10.562
  122    HA   LYS  16           HA       LYS  16   3.242  -4.748 -12.349
  123    HB2  LYS  16           HB2      LYS  16   3.656  -7.332 -10.840
  124    HB3  LYS  16           HB3      LYS  16   2.764  -7.126 -12.340
  125    HG2  LYS  16           HG2      LYS  16   4.861  -6.423 -13.444
  126    HG3  LYS  16           HG3      LYS  16   5.726  -6.764 -11.946
  127    HD2  LYS  16           HD2      LYS  16   5.961  -8.652 -13.414
  128    HD3  LYS  16           HD3      LYS  16   4.906  -9.109 -12.076
  129    HE2  LYS  16           HE2      LYS  16   4.046  -9.933 -14.208
  130    HE3  LYS  16           HE3      LYS  16   2.945  -8.762 -13.483
  131    HZ1  LYS  16           HZ1      LYS  16   3.728  -7.080 -14.979
  132    HZ2  LYS  16           HZ2      LYS  16   3.289  -8.439 -15.893
  133    HZ3  LYS  16           HZ3      LYS  16   4.925  -8.107 -15.603
  134    HA   PRO  17           HA       PRO  17  -0.333  -4.049  -9.836
  135    HB2  PRO  17           HB2      PRO  17  -1.854  -5.571 -11.855
  136    HB3  PRO  17           HB3      PRO  17  -2.032  -3.888 -11.350
  137    HG2  PRO  17           HG2      PRO  17  -0.998  -4.529 -13.736
  138    HG3  PRO  17           HG3      PRO  17  -0.398  -3.140 -12.808
  139    HD2  PRO  17           HD2      PRO  17   0.787  -5.872 -13.121
  140    HD3  PRO  17           HD3      PRO  17   1.593  -4.290 -13.109
  141    H    LEU  18           H        LEU  18  -0.796  -5.134  -8.059
  142    HA   LEU  18           HA       LEU  18  -0.586  -7.986  -7.895
  143    HB2  LEU  18           HB2      LEU  18  -1.622  -5.991  -5.876
  144    HB3  LEU  18           HB3      LEU  18  -1.226  -7.666  -5.544
  145    HG   LEU  18           HG       LEU  18   0.754  -5.571  -6.438
  146   HD11  LEU  18          HD11      LEU  18  -0.064  -5.113  -4.192
  147   HD12  LEU  18          HD12      LEU  18   1.606  -5.679  -4.151
  148   HD13  LEU  18          HD13      LEU  18   0.294  -6.772  -3.711
  149   HD21  LEU  18          HD21      LEU  18   1.184  -8.386  -5.450
  150   HD22  LEU  18          HD22      LEU  18   2.437  -7.231  -5.907
  151   HD23  LEU  18          HD23      LEU  18   1.326  -7.855  -7.126
  152    H    SER  19           H        SER  19  -2.451  -9.179  -6.698
  153    HA   SER  19           HA       SER  19  -4.855  -8.709  -8.279
  154    HB2  SER  19           HB2      SER  19  -3.892 -10.996  -8.227
  155    HB3  SER  19           HB3      SER  19  -4.170 -11.057  -6.492
  156    HG   SER  19           HG       SER  19  -6.283 -10.499  -8.282
  157    H    ASP  20           H        ASP  20  -6.844  -8.333  -7.432
  158    HA   ASP  20           HA       ASP  20  -7.091  -6.863  -5.062
  159    HB2  ASP  20           HB2      ASP  20  -8.648  -6.916  -7.088
  160    HB3  ASP  20           HB3      ASP  20  -9.321  -8.388  -6.400
  161    H    LYS  21           H        LYS  21  -7.329 -10.263  -5.725
  162    HA   LYS  21           HA       LYS  21  -8.630 -11.213  -3.454
  163    HB2  LYS  21           HB2      LYS  21  -6.304 -12.519  -4.880
  164    HB3  LYS  21           HB3      LYS  21  -7.499 -13.327  -3.876
  165    HG2  LYS  21           HG2      LYS  21  -9.234 -12.842  -5.481
  166    HG3  LYS  21           HG3      LYS  21  -8.098 -11.919  -6.470
  167    HD2  LYS  21           HD2      LYS  21  -6.735 -13.971  -6.728
  168    HD3  LYS  21           HD3      LYS  21  -7.975 -14.868  -5.851
  169    HE2  LYS  21           HE2      LYS  21  -8.280 -15.186  -8.221
  170    HE3  LYS  21           HE3      LYS  21  -9.613 -14.224  -7.587
  171    HZ1  LYS  21           HZ1      LYS  21  -7.237 -13.123  -9.001
  172    HZ2  LYS  21           HZ2      LYS  21  -8.577 -12.239  -8.453
  173    HZ3  LYS  21           HZ3      LYS  21  -8.761 -13.373  -9.698
  174    H    LEU  22           H        LEU  22  -5.202 -10.500  -3.981
  175    HA   LEU  22           HA       LEU  22  -4.395 -11.302  -1.347
  176    HB2  LEU  22           HB2      LEU  22  -2.721  -9.341  -2.788
  177    HB3  LEU  22           HB3      LEU  22  -2.264 -10.840  -2.007
  178    HG   LEU  22           HG       LEU  22  -3.529 -10.596  -4.728
  179   HD11  LEU  22          HD11      LEU  22  -0.699 -11.208  -3.892
  180   HD12  LEU  22          HD12      LEU  22  -1.264  -9.771  -4.746
  181   HD13  LEU  22          HD13      LEU  22  -1.322 -11.346  -5.536
  182   HD21  LEU  22          HD21      LEU  22  -4.154 -12.677  -3.652
  183   HD22  LEU  22          HD22      LEU  22  -2.466 -13.002  -3.252
  184   HD23  LEU  22          HD23      LEU  22  -2.987 -12.986  -4.938
  185    H    LEU  23           H        LEU  23  -5.405  -8.393  -2.931
  186    HA   LEU  23           HA       LEU  23  -4.374  -6.546  -1.093
  187    HB2  LEU  23           HB2      LEU  23  -6.645  -6.295  -3.057
  188    HB3  LEU  23           HB3      LEU  23  -5.965  -4.950  -2.162
  189    HG   LEU  23           HG       LEU  23  -4.520  -6.649  -4.196
  190   HD11  LEU  23          HD11      LEU  23  -4.437  -4.584  -5.498
  191   HD12  LEU  23          HD12      LEU  23  -5.374  -3.761  -4.249
  192   HD13  LEU  23          HD13      LEU  23  -6.102  -5.075  -5.174
  193   HD21  LEU  23          HD21      LEU  23  -3.531  -4.297  -2.586
  194   HD22  LEU  23          HD22      LEU  23  -2.644  -5.124  -3.867
  195   HD23  LEU  23          HD23      LEU  23  -3.034  -5.975  -2.371
  196    H    ARG  24           H        ARG  24  -7.483  -8.228  -1.248
  197    HA   ARG  24           HA       ARG  24  -8.685  -6.704   0.842
  198    HB2  ARG  24           HB2      ARG  24 -10.438  -8.352   0.842
  199    HB3  ARG  24           HB3      ARG  24  -9.978  -8.011  -0.818
  200    HG2  ARG  24           HG2      ARG  24  -8.616 -10.082  -0.816
  201    HG3  ARG  24           HG3      ARG  24  -9.232 -10.436   0.801
  202    HD2  ARG  24           HD2      ARG  24 -11.539 -10.332  -0.136
  203    HD3  ARG  24           HD3      ARG  24 -10.828 -10.166  -1.740
  204    HE   ARG  24           HE       ARG  24 -10.245 -12.513  -0.069
  205   HH11  ARG  24          HH11      ARG  24 -11.414 -11.089  -3.044
  206   HH12  ARG  24          HH12      ARG  24 -11.652 -12.624  -3.837
  207   HH21  ARG  24          HH21      ARG  24 -10.563 -14.532  -1.093
  208   HH22  ARG  24          HH22      ARG  24 -11.153 -14.582  -2.727
  209    H    LYS  25           H        LYS  25  -6.063  -8.507   1.044
  210    HA   LYS  25           HA       LYS  25  -6.635  -9.504   3.756
  211    HB2  LYS  25           HB2      LYS  25  -4.413 -10.428   1.938
  212    HB3  LYS  25           HB3      LYS  25  -4.889 -11.135   3.475
  213    HG2  LYS  25           HG2      LYS  25  -7.110 -11.666   2.409
  214    HG3  LYS  25           HG3      LYS  25  -6.384 -11.199   0.869
  215    HD2  LYS  25           HD2      LYS  25  -5.566 -13.438   2.700
  216    HD3  LYS  25           HD3      LYS  25  -6.170 -13.558   1.047
  217    HE2  LYS  25           HE2      LYS  25  -4.157 -12.492   0.211
  218    HE3  LYS  25           HE3      LYS  25  -3.572 -12.256   1.855
  219    HZ1  LYS  25           HZ1      LYS  25  -3.807 -14.775   0.331
  220    HZ2  LYS  25           HZ2      LYS  25  -3.759 -14.789   2.023
  221    HZ3  LYS  25           HZ3      LYS  25  -2.464 -14.142   1.146
  222    H    VAL  26           H        VAL  26  -5.443  -6.938   2.279
  223    HA   VAL  26           HA       VAL  26  -2.922  -6.572   3.556
  224    HB   VAL  26           HB       VAL  26  -4.801  -4.815   1.996
  225   HG11  VAL  26          HG11      VAL  26  -2.257  -3.915   3.321
  226   HG12  VAL  26          HG12      VAL  26  -3.889  -3.396   3.737
  227   HG13  VAL  26          HG13      VAL  26  -3.209  -2.982   2.164
  228   HG21  VAL  26          HG21      VAL  26  -1.959  -5.708   1.552
  229   HG22  VAL  26          HG22      VAL  26  -2.910  -4.715   0.447
  230   HG23  VAL  26          HG23      VAL  26  -3.390  -6.380   0.775
  231    H    ILE  27           H        ILE  27  -2.459  -5.409   5.401
  232    HA   ILE  27           HA       ILE  27  -4.783  -4.808   7.105
  233    HB   ILE  27           HB       ILE  27  -3.163  -4.954   9.013
  234   HG12  ILE  27          HG12      ILE  27  -1.342  -6.060   6.860
  235   HG13  ILE  27          HG13      ILE  27  -1.075  -4.599   7.804
  236   HG21  ILE  27          HG21      ILE  27  -3.544  -7.408   7.307
  237   HG22  ILE  27          HG22      ILE  27  -4.663  -6.775   8.515
  238   HG23  ILE  27          HG23      ILE  27  -3.098  -7.415   9.013
  239   HD11  ILE  27          HD11      ILE  27  -1.121  -7.415   8.867
  240   HD12  ILE  27          HD12      ILE  27  -0.870  -5.955   9.827
  241   HD13  ILE  27          HD13      ILE  27   0.309  -6.417   8.599
  242    H    GLN  28           H        GLN  28  -2.035  -3.432   5.548
  243    HA   GLN  28           HA       GLN  28  -2.761  -0.797   6.471
  244    HB2  GLN  28           HB2      GLN  28  -0.276  -2.171   7.382
  245    HB3  GLN  28           HB3      GLN  28  -0.191  -0.452   7.021
  246    HG2  GLN  28           HG2      GLN  28  -2.051  -1.757   8.998
  247    HG3  GLN  28           HG3      GLN  28  -0.590  -0.849   9.385
  248   HE21  GLN  28          HE21      GLN  28  -3.880  -0.674   8.313
  249   HE22  GLN  28          HE22      GLN  28  -4.058   1.041   8.479
  250    H    VAL  29           H        VAL  29  -1.879   0.874   5.282
  251    HA   VAL  29           HA       VAL  29  -0.212   0.142   2.975
  252    HB   VAL  29           HB       VAL  29  -1.196   2.436   2.079
  253   HG11  VAL  29          HG11      VAL  29  -1.330   0.369   0.870
  254   HG12  VAL  29          HG12      VAL  29  -2.912   1.149   0.847
  255   HG13  VAL  29          HG13      VAL  29  -2.616  -0.216   1.927
  256   HG21  VAL  29          HG21      VAL  29  -3.424   1.398   3.832
  257   HG22  VAL  29          HG22      VAL  29  -3.584   2.665   2.617
  258   HG23  VAL  29          HG23      VAL  29  -2.562   2.924   4.030
  259    H    GLU  30           H        GLU  30   1.774   0.897   3.184
  260    HA   GLU  30           HA       GLU  30   2.162   3.376   4.721
  261    HB2  GLU  30           HB2      GLU  30   4.475   2.291   5.231
  262    HB3  GLU  30           HB3      GLU  30   3.061   1.820   6.164
  263    HG2  GLU  30           HG2      GLU  30   3.272   0.143   3.853
  264    HG3  GLU  30           HG3      GLU  30   4.819   0.176   4.715
  265    H    LEU  31           H        LEU  31   3.973   4.659   4.162
  266    HA   LEU  31           HA       LEU  31   4.807   4.293   1.360
  267    HB2  LEU  31           HB2      LEU  31   3.239   6.123   1.533
  268    HB3  LEU  31           HB3      LEU  31   4.149   6.834   2.850
  269    HG   LEU  31           HG       LEU  31   6.032   7.253   1.285
  270   HD11  LEU  31          HD11      LEU  31   5.640   7.065  -1.118
  271   HD12  LEU  31          HD12      LEU  31   4.085   6.293  -0.804
  272   HD13  LEU  31          HD13      LEU  31   5.581   5.491  -0.324
  273   HD21  LEU  31          HD21      LEU  31   4.408   9.001   1.756
  274   HD22  LEU  31          HD22      LEU  31   3.372   8.410   0.457
  275   HD23  LEU  31          HD23      LEU  31   4.954   9.092   0.082
  276    H    GLN  32           H        GLN  32   6.893   3.990   1.124
  277    HA   GLN  32           HA       GLN  32   8.818   4.891   3.089
  278    HB2  GLN  32           HB2      GLN  32   9.353   2.838   1.976
  279    HB3  GLN  32           HB3      GLN  32   9.056   3.544   0.394
  280    HG2  GLN  32           HG2      GLN  32  11.011   4.956   0.630
  281    HG3  GLN  32           HG3      GLN  32  11.297   4.315   2.248
  282   HE21  GLN  32          HE21      GLN  32  13.353   3.634   1.585
  283   HE22  GLN  32          HE22      GLN  32  13.573   2.231   0.604
  284    H    GLU  33           H        GLU  33   9.449   6.949   3.143
  285    HA   GLU  33           HA       GLU  33   8.750   8.695   0.955
  286    HB2  GLU  33           HB2      GLU  33  10.041   9.279   3.621
  287    HB3  GLU  33           HB3      GLU  33   9.512  10.495   2.466
  288    HG2  GLU  33           HG2      GLU  33   7.202   9.588   2.674
  289    HG3  GLU  33           HG3      GLU  33   7.787   8.538   3.964
  290    H    ALA  34           H        ALA  34  10.212  10.137  -0.065
  291    HA   ALA  34           HA       ALA  34  12.556   8.765  -0.951
  292    HB1  ALA  34           HB1      ALA  34  11.162  10.089  -2.464
  293    HB2  ALA  34           HB2      ALA  34  12.837  10.639  -2.472
  294    HB3  ALA  34           HB3      ALA  34  11.614  11.555  -1.594
  295    H    ASP  35           H        ASP  35  12.037  10.562   1.721
  296    HA   ASP  35           HA       ASP  35  14.885  10.907   2.141
  297    HB2  ASP  35           HB2      ASP  35  14.181  13.106   1.286
  298    HB3  ASP  35           HB3      ASP  35  12.924  13.191   2.516
  299    H    GLY  36           H        GLY  36  11.611  10.796   3.316
  300    HA2  GLY  36           HA2      GLY  36  12.221  10.788   6.091
  301    HA3  GLY  36           HA3      GLY  36  10.717  10.253   5.356
  302    H    ASP  37           H        ASP  37  13.902   9.317   6.365
  303    HA   ASP  37           HA       ASP  37  14.271   7.493   7.778
  304    HB2  ASP  37           HB2      ASP  37  11.864   6.731   7.632
  305    HB3  ASP  37           HB3      ASP  37  12.276   5.911   6.125
  306    H    CYS  38           H        CYS  38  13.693   7.274   4.363
  307    HA   CYS  38           HA       CYS  38  16.406   6.289   3.992
  308    HB2  CYS  38           HB2      CYS  38  13.908   4.975   2.943
  309    HB3  CYS  38           HB3      CYS  38  15.504   4.680   2.294
  310    H    HIS  39           H        HIS  39  16.865   6.277   1.497
  311    HA   HIS  39           HA       HIS  39  15.848   8.871   0.555
  312    HB2  HIS  39           HB2      HIS  39  18.300   8.638   1.077
  313    HB3  HIS  39           HB3      HIS  39  18.417   7.509  -0.267
  314    HD1  HIS  39           HD1      HIS  39  18.063  11.134   0.534
  315    HD2  HIS  39           HD2      HIS  39  18.282   8.682  -2.824
  316    HE1  HIS  39           HE1      HIS  39  18.453  12.680  -1.414
  317    HE2  HIS  39           HE2      HIS  39  18.811  11.157  -3.394
  318    H    LEU  40           H        LEU  40  14.021   7.244  -0.119
  319    HA   LEU  40           HA       LEU  40  13.844   7.558  -2.871
  320    HB2  LEU  40           HB2      LEU  40  13.816   5.317  -3.740
  321    HB3  LEU  40           HB3      LEU  40  15.380   5.642  -3.022
  322    HG   LEU  40           HG       LEU  40  13.836   4.464  -0.995
  323   HD11  LEU  40          HD11      LEU  40  13.600   2.983  -3.611
  324   HD12  LEU  40          HD12      LEU  40  12.269   3.684  -2.688
  325   HD13  LEU  40          HD13      LEU  40  13.192   2.336  -2.021
  326   HD21  LEU  40          HD21      LEU  40  15.956   3.285  -2.769
  327   HD22  LEU  40          HD22      LEU  40  15.513   2.734  -1.152
  328   HD23  LEU  40          HD23      LEU  40  16.253   4.322  -1.376
  329    H    GLN  41           H        GLN  41  11.734   7.025  -3.650
  330    HA   GLN  41           HA       GLN  41   9.867   6.732  -1.411
  331    HB2  GLN  41           HB2      GLN  41   9.663   8.772  -2.770
  332    HB3  GLN  41           HB3      GLN  41   9.389   7.794  -4.204
  333    HG2  GLN  41           HG2      GLN  41   7.337   6.913  -3.197
  334    HG3  GLN  41           HG3      GLN  41   7.608   7.930  -1.783
  335   HE21  GLN  41          HE21      GLN  41   8.314   8.954  -5.055
  336   HE22  GLN  41          HE22      GLN  41   7.066  10.146  -5.147
  337    H    ALA  42           H        ALA  42   8.396   5.135  -1.288
  338    HA   ALA  42           HA       ALA  42   7.763   3.458  -3.563
  339    HB1  ALA  42           HB1      ALA  42   9.144   2.286  -1.148
  340    HB2  ALA  42           HB2      ALA  42   9.836   2.431  -2.766
  341    HB3  ALA  42           HB3      ALA  42   8.452   1.371  -2.489
  342    H    PHE  43           H        PHE  43   5.737   2.646  -3.381
  343    HA   PHE  43           HA       PHE  43   4.312   3.065  -0.865
  344    HB2  PHE  43           HB2      PHE  43   3.484   2.620  -3.698
  345    HB3  PHE  43           HB3      PHE  43   2.380   2.123  -2.420
  346    HD1  PHE  43           HD2      PHE  43   1.366   3.756  -0.944
  347    HD2  PHE  43           HD1      PHE  43   3.927   4.941  -4.135
  348    HE1  PHE  43           HE2      PHE  43   0.551   6.069  -0.740
  349    HE2  PHE  43           HE1      PHE  43   3.108   7.253  -3.937
  350    HZ   PHE  43           HZ       PHE  43   1.418   7.818  -2.239
  351    H    VAL  44           H        VAL  44   3.977   1.469   0.523
  352    HA   VAL  44           HA       VAL  44   4.671  -1.237  -0.395
  353    HB   VAL  44           HB       VAL  44   4.890  -0.122   2.405
  354   HG11  VAL  44          HG11      VAL  44   5.851  -2.728   1.221
  355   HG12  VAL  44          HG12      VAL  44   4.529  -2.532   2.372
  356   HG13  VAL  44          HG13      VAL  44   6.184  -2.161   2.857
  357   HG21  VAL  44          HG21      VAL  44   7.320  -0.158   1.984
  358   HG22  VAL  44          HG22      VAL  44   6.465   0.960   0.917
  359   HG23  VAL  44          HG23      VAL  44   7.001  -0.605   0.306
  360    H    LEU  45           H        LEU  45   3.112  -2.666  -0.437
  361    HA   LEU  45           HA       LEU  45   0.625  -2.139   0.998
  362    HB2  LEU  45           HB2      LEU  45   1.293  -4.177  -1.127
  363    HB3  LEU  45           HB3      LEU  45  -0.285  -3.992  -0.380
  364    HG   LEU  45           HG       LEU  45   1.137  -2.009  -2.148
  365   HD11  LEU  45          HD11      LEU  45  -0.815  -2.288  -3.580
  366   HD12  LEU  45          HD12      LEU  45  -1.474  -3.478  -2.457
  367   HD13  LEU  45          HD13      LEU  45   0.022  -3.821  -3.327
  368   HD21  LEU  45          HD21      LEU  45   0.064  -0.834  -0.305
  369   HD22  LEU  45          HD22      LEU  45  -1.445  -1.688  -0.627
  370   HD23  LEU  45          HD23      LEU  45  -0.800  -0.558  -1.817
  371    H    HIS  46           H        HIS  46   0.277  -3.052   2.878
  372    HA   HIS  46           HA       HIS  46   2.164  -5.143   3.714
  373    HB2  HIS  46           HB2      HIS  46   1.913  -2.822   4.859
  374    HB3  HIS  46           HB3      HIS  46   0.465  -3.515   5.576
  375    HD1  HIS  46           HD1      HIS  46   3.457  -2.700   6.788
  376    HD2  HIS  46           HD2      HIS  46   1.668  -6.445   6.425
  377    HE1  HIS  46           HE1      HIS  46   4.587  -4.167   8.493
  378    HE2  HIS  46           HE2      HIS  46   3.592  -6.455   8.153
  379    H    LEU  47           H        LEU  47   1.182  -7.075   3.257
  380    HA   LEU  47           HA       LEU  47  -1.529  -7.556   4.164
  381    HB2  LEU  47           HB2      LEU  47   0.545  -9.424   2.995
  382    HB3  LEU  47           HB3      LEU  47  -1.065  -9.923   3.471
  383    HG   LEU  47           HG       LEU  47  -1.930  -8.215   1.776
  384   HD11  LEU  47          HD11      LEU  47  -0.409  -7.668  -0.054
  385   HD12  LEU  47          HD12      LEU  47   0.926  -8.405   0.832
  386   HD13  LEU  47          HD13      LEU  47   0.135  -6.964   1.468
  387   HD21  LEU  47          HD21      LEU  47  -2.019 -10.623   1.427
  388   HD22  LEU  47          HD22      LEU  47  -0.365 -10.606   0.814
  389   HD23  LEU  47          HD23      LEU  47  -1.645  -9.783  -0.078
  390    H    ALA  48           H        ALA  48  -1.975  -9.306   5.712
  391    HA   ALA  48           HA       ALA  48  -0.580  -8.867   8.123
  392    HB1  ALA  48           HB1      ALA  48  -2.492 -11.104   7.471
  393    HB2  ALA  48           HB2      ALA  48  -2.947  -9.501   8.047
  394    HB3  ALA  48           HB3      ALA  48  -2.009 -10.577   9.082
  395    H    GLN  49           H        GLN  49  -0.008 -11.059   5.555
  396    HA   GLN  49           HA       GLN  49   1.515 -12.911   7.190
  397    HB2  GLN  49           HB2      GLN  49   1.256 -12.880   4.182
  398    HB3  GLN  49           HB3      GLN  49   1.777 -14.217   5.194
  399    HG2  GLN  49           HG2      GLN  49  -0.342 -14.894   4.795
  400    HG3  GLN  49           HG3      GLN  49  -0.648 -13.890   6.212
  401   HE21  GLN  49          HE21      GLN  49  -1.817 -12.051   6.008
  402   HE22  GLN  49          HE22      GLN  49  -2.607 -11.567   4.549
  403    H    ARG  50           H        ARG  50   2.012 -10.636   4.539
  404    HA   ARG  50           HA       ARG  50   4.576  -9.849   5.455
  405    HB2  ARG  50           HB2      ARG  50   5.610 -10.575   3.130
  406    HB3  ARG  50           HB3      ARG  50   5.632 -11.654   4.515
  407    HG2  ARG  50           HG2      ARG  50   4.981 -12.952   2.665
  408    HG3  ARG  50           HG3      ARG  50   3.527 -12.687   3.613
  409    HD2  ARG  50           HD2      ARG  50   2.832 -10.928   2.080
  410    HD3  ARG  50           HD3      ARG  50   4.309 -11.152   1.138
  411    HE   ARG  50           HE       ARG  50   2.372 -13.352   1.485
  412   HH11  ARG  50          HH11      ARG  50   4.297 -11.257  -0.575
  413   HH12  ARG  50          HH12      ARG  50   3.874 -12.108  -2.035
  414   HH21  ARG  50          HH21      ARG  50   1.836 -14.475  -0.441
  415   HH22  ARG  50          HH22      ARG  50   2.481 -13.923  -1.957
  416    H    SER  51           H        SER  51   5.600  -8.323   3.768
  417    HA   SER  51           HA       SER  51   3.383  -6.766   2.631
  418    HB2  SER  51           HB2      SER  51   5.165  -4.880   2.850
  419    HB3  SER  51           HB3      SER  51   4.351  -5.454   4.307
  420    HG   SER  51           HG       SER  51   6.917  -5.372   3.899
  421    H    ILE  52           H        ILE  52   3.683  -5.669   0.673
  422    HA   ILE  52           HA       ILE  52   5.851  -6.711  -1.036
  423    HB   ILE  52           HB       ILE  52   3.032  -5.984  -1.878
  424   HG12  ILE  52          HG12      ILE  52   4.374  -8.695  -1.788
  425   HG13  ILE  52          HG13      ILE  52   3.211  -8.116  -0.601
  426   HG21  ILE  52          HG21      ILE  52   3.684  -6.859  -4.073
  427   HG22  ILE  52          HG22      ILE  52   5.327  -7.107  -3.480
  428   HG23  ILE  52          HG23      ILE  52   4.671  -5.474  -3.602
  429   HD11  ILE  52          HD11      ILE  52   2.162  -9.608  -2.192
  430   HD12  ILE  52          HD12      ILE  52   2.680  -8.579  -3.527
  431   HD13  ILE  52          HD13      ILE  52   1.508  -7.978  -2.353
  432    H    CYS  53           H        CYS  53   6.971  -5.193  -2.230
  433    HA   CYS  53           HA       CYS  53   6.385  -2.407  -1.517
  434    HB2  CYS  53           HB2      CYS  53   8.938  -3.587  -2.631
  435    HB3  CYS  53           HB3      CYS  53   8.722  -1.964  -1.985
  436    H    ILE  54           H        ILE  54   5.575  -1.109  -3.015
  437    HA   ILE  54           HA       ILE  54   5.786  -1.953  -5.825
  438    HB   ILE  54           HB       ILE  54   3.498  -1.432  -4.237
  439   HG12  ILE  54          HG12      ILE  54   3.739  -1.836  -7.223
  440   HG13  ILE  54          HG13      ILE  54   3.758  -3.122  -6.022
  441   HG21  ILE  54          HG21      ILE  54   3.862   0.631  -6.400
  442   HG22  ILE  54          HG22      ILE  54   3.651   0.916  -4.671
  443   HG23  ILE  54          HG23      ILE  54   2.323   0.252  -5.626
  444   HD11  ILE  54          HD11      ILE  54   1.471  -1.266  -6.631
  445   HD12  ILE  54          HD12      ILE  54   1.480  -2.475  -5.345
  446   HD13  ILE  54          HD13      ILE  54   1.586  -2.979  -7.033
  447    H    HIS  55           H        HIS  55   6.243  -0.446  -7.372
  448    HA   HIS  55           HA       HIS  55   7.662   1.911  -6.625
  449    HB2  HIS  55           HB2      HIS  55   8.239   0.656  -8.647
  450    HB3  HIS  55           HB3      HIS  55   6.627   0.925  -9.302
  451    HD1  HIS  55           HD1      HIS  55   6.262   3.015 -10.630
  452    HD2  HIS  55           HD2      HIS  55   9.899   3.015  -8.619
  453    HE1  HIS  55           HE1      HIS  55   7.515   5.006 -11.506
  454    HE2  HIS  55           HE2      HIS  55   9.807   4.819 -10.473
  455    HA   PRO  56           HA       PRO  56   4.084   4.589  -6.258
  456    HB2  PRO  56           HB2      PRO  56   5.996   6.775  -6.797
  457    HB3  PRO  56           HB3      PRO  56   4.969   6.505  -5.386
  458    HG2  PRO  56           HG2      PRO  56   7.616   6.144  -5.268
  459    HG3  PRO  56           HG3      PRO  56   6.496   5.094  -4.378
  460    HD2  PRO  56           HD2      PRO  56   7.947   4.574  -6.949
  461    HD3  PRO  56           HD3      PRO  56   7.669   3.487  -5.570
  462    H    GLN  57           H        GLN  57   3.321   6.679  -7.534
  463    HA   GLN  57           HA       GLN  57   2.360   7.386  -9.472
  464    HB2  GLN  57           HB2      GLN  57   5.098   6.703 -10.561
  465    HB3  GLN  57           HB3      GLN  57   3.872   7.578 -11.462
  466    HG2  GLN  57           HG2      GLN  57   5.177   9.288 -10.684
  467    HG3  GLN  57           HG3      GLN  57   3.931   9.213  -9.443
  468   HE21  GLN  57          HE21      GLN  57   5.257  10.182  -7.921
  469   HE22  GLN  57          HE22      GLN  57   6.586   9.342  -7.190
  470    H    ASN  58           H        ASN  58   2.022   4.629  -8.724
  471    HA   ASN  58           HA       ASN  58   1.976   3.227 -11.312
  472    HB2  ASN  58           HB2      ASN  58   3.494   2.344  -9.511
  473    HB3  ASN  58           HB3      ASN  58   2.064   2.016  -8.544
  474   HD21  ASN  58          HD21      ASN  58   2.644  -0.154  -8.483
  475   HD22  ASN  58          HD22      ASN  58   2.398  -1.200  -9.839
  476    HA   PRO  59           HA       PRO  59  -2.478   3.384 -11.155
  477    HB2  PRO  59           HB2      PRO  59  -2.119   0.887 -12.747
  478    HB3  PRO  59           HB3      PRO  59  -3.129   2.300 -13.079
  479    HG2  PRO  59           HG2      PRO  59  -0.851   1.950 -14.391
  480    HG3  PRO  59           HG3      PRO  59  -1.335   3.566 -13.842
  481    HD2  PRO  59           HD2      PRO  59   0.712   1.711 -12.709
  482    HD3  PRO  59           HD3      PRO  59   0.735   3.483 -12.832
  483    H    SER  60           H        SER  60  -0.675   0.393 -10.482
  484    HA   SER  60           HA       SER  60  -2.726  -1.169  -9.452
  485    HB2  SER  60           HB2      SER  60   0.013  -1.165  -8.212
  486    HB3  SER  60           HB3      SER  60  -1.046  -2.533  -8.559
  487    HG   SER  60           HG       SER  60   0.408  -2.615 -10.170
  488    H    LEU  61           H        LEU  61  -0.453   0.845  -7.584
  489    HA   LEU  61           HA       LEU  61  -1.785   0.644  -5.124
  490    HB2  LEU  61           HB2      LEU  61   0.582   1.680  -5.935
  491    HB3  LEU  61           HB3      LEU  61  -0.335   3.159  -5.733
  492    HG   LEU  61           HG       LEU  61   0.840   2.835  -3.713
  493   HD11  LEU  61          HD11      LEU  61  -0.892   2.481  -2.038
  494   HD12  LEU  61          HD12      LEU  61  -1.955   1.818  -3.281
  495   HD13  LEU  61          HD13      LEU  61  -1.456   3.509  -3.357
  496   HD21  LEU  61          HD21      LEU  61   0.758   0.778  -2.397
  497   HD22  LEU  61          HD22      LEU  61   1.478   0.522  -3.989
  498   HD23  LEU  61          HD23      LEU  61  -0.180   0.006  -3.679
  499    H    SER  62           H        SER  62  -2.152   2.857  -7.844
  500    HA   SER  62           HA       SER  62  -3.749   4.800  -6.605
  501    HB2  SER  62           HB2      SER  62  -3.812   3.951  -9.510
  502    HB3  SER  62           HB3      SER  62  -4.360   5.496  -8.860
  503    HG   SER  62           HG       SER  62  -1.689   4.509  -8.766
  504    H    GLN  63           H        GLN  63  -4.679   2.000  -8.577
  505    HA   GLN  63           HA       GLN  63  -7.452   2.218  -8.235
  506    HB2  GLN  63           HB2      GLN  63  -5.722  -0.219  -8.707
  507    HB3  GLN  63           HB3      GLN  63  -7.479  -0.226  -8.786
  508    HG2  GLN  63           HG2      GLN  63  -7.473   1.261 -10.653
  509    HG3  GLN  63           HG3      GLN  63  -5.737   1.524 -10.503
  510   HE21  GLN  63          HE21      GLN  63  -7.175  -1.629 -10.103
  511   HE22  GLN  63          HE22      GLN  63  -6.562  -2.314 -11.571
  512    H    TRP  64           H        TRP  64  -4.937   0.733  -6.279
  513    HA   TRP  64           HA       TRP  64  -6.696  -0.577  -4.499
  514    HB2  TRP  64           HB2      TRP  64  -4.335  -1.230  -4.746
  515    HB3  TRP  64           HB3      TRP  64  -3.840   0.301  -4.037
  516    HD1  TRP  64           HD1      TRP  64  -2.804  -0.399  -1.786
  517    HE1  TRP  64           HE1      TRP  64  -3.612  -1.716   0.267
  518    HE3  TRP  64           HE3      TRP  64  -7.251  -2.166  -3.618
  519    HZ2  TRP  64           HZ2      TRP  64  -5.824  -3.282   1.018
  520    HZ3  TRP  64           HZ3      TRP  64  -8.646  -3.559  -2.161
  521    HH2  TRP  64           HH2      TRP  64  -7.947  -4.107   0.104
  522    H    PHE  65           H        PHE  65  -5.422   2.712  -4.585
  523    HA   PHE  65           HA       PHE  65  -6.083   3.555  -2.024
  524    HB2  PHE  65           HB2      PHE  65  -6.308   5.031  -4.649
  525    HB3  PHE  65           HB3      PHE  65  -6.632   5.797  -3.101
  526    HD1  PHE  65           HD1      PHE  65  -4.462   4.613  -1.449
  527    HD2  PHE  65           HD2      PHE  65  -4.445   6.133  -5.419
  528    HE1  PHE  65           HE1      PHE  65  -2.077   5.179  -1.221
  529    HE2  PHE  65           HE2      PHE  65  -2.061   6.688  -5.204
  530    HZ   PHE  65           HZ       PHE  65  -0.878   6.220  -3.103
  531    H    GLU  66           H        GLU  66  -8.196   3.502  -4.900
  532    HA   GLU  66           HA       GLU  66 -10.472   4.234  -3.310
  533    HB2  GLU  66           HB2      GLU  66  -9.981   3.744  -6.164
  534    HB3  GLU  66           HB3      GLU  66 -11.633   3.537  -5.578
  535    HG2  GLU  66           HG2      GLU  66 -10.097   5.962  -4.783
  536    HG3  GLU  66           HG3      GLU  66 -10.796   5.861  -6.384
  537    H    HIS  67           H        HIS  67  -9.140   1.244  -4.576
  538    HA   HIS  67           HA       HIS  67 -11.412  -0.378  -4.070
  539    HB2  HIS  67           HB2      HIS  67  -8.508  -0.963  -4.522
  540    HB3  HIS  67           HB3      HIS  67  -9.571  -2.243  -3.957
  541    HD1  HIS  67           HD1      HIS  67  -9.757  -3.681  -6.015
  542    HD2  HIS  67           HD2      HIS  67 -10.470   0.354  -6.796
  543    HE1  HIS  67           HE1      HIS  67 -10.512  -3.564  -8.415
  544    HE2  HIS  67           HE2      HIS  67 -11.020  -1.130  -8.841
  545    H    GLN  68           H        GLN  68  -8.685   0.627  -2.080
  546    HA   GLN  68           HA       GLN  68  -9.313  -1.158   0.071
  547    HB2  GLN  68           HB2      GLN  68  -7.555  -0.132   1.271
  548    HB3  GLN  68           HB3      GLN  68  -7.038  -0.125  -0.408
  549    HG2  GLN  68           HG2      GLN  68  -7.927   2.250  -0.521
  550    HG3  GLN  68           HG3      GLN  68  -8.016   2.181   1.238
  551   HE21  GLN  68          HE21      GLN  68  -5.556   0.558  -0.623
  552   HE22  GLN  68          HE22      GLN  68  -4.241   1.560  -0.125
  553    H    GLU  69           H        GLU  69 -10.258   2.012  -0.892
  554    HA   GLU  69           HA       GLU  69 -11.419   2.999   1.454
  555    HB2  GLU  69           HB2      GLU  69 -11.099   4.349  -0.543
  556    HB3  GLU  69           HB3      GLU  69 -12.217   3.339  -1.442
  557    HG2  GLU  69           HG2      GLU  69 -13.338   5.352  -0.899
  558    HG3  GLU  69           HG3      GLU  69 -14.019   4.082   0.114
  559    H    ARG  70           H        ARG  70 -12.499   0.651  -0.878
  560    HA   ARG  70           HA       ARG  70 -15.043   0.339   0.573
  561    HB2  ARG  70           HB2      ARG  70 -15.870  -0.685  -1.557
  562    HB3  ARG  70           HB3      ARG  70 -15.436   1.015  -1.694
  563    HG2  ARG  70           HG2      ARG  70 -13.183   0.213  -2.554
  564    HG3  ARG  70           HG3      ARG  70 -13.929  -1.379  -2.700
  565    HD2  ARG  70           HD2      ARG  70 -14.959   1.134  -4.007
  566    HD3  ARG  70           HD3      ARG  70 -13.956  -0.075  -4.804
  567    HE   ARG  70           HE       ARG  70 -16.091  -1.483  -3.830
  568   HH11  ARG  70          HH11      ARG  70 -15.699   1.297  -5.921
  569   HH12  ARG  70          HH12      ARG  70 -17.115   0.955  -6.865
  570   HH21  ARG  70          HH21      ARG  70 -17.945  -1.954  -5.088
  571   HH22  ARG  70          HH22      ARG  70 -18.383  -0.914  -6.411
  572    H    LYS  71           H        LYS  71 -12.511  -0.895   1.369
  573    HA   LYS  71           HA       LYS  71 -13.359  -3.683   1.334
  574    HB2  LYS  71           HB2      LYS  71 -11.748  -3.022  -0.658
  575    HB3  LYS  71           HB3      LYS  71 -10.514  -3.165   0.576
  576    HG2  LYS  71           HG2      LYS  71 -11.146  -5.482   0.972
  577    HG3  LYS  71           HG3      LYS  71 -12.440  -5.337  -0.218
  578    HD2  LYS  71           HD2      LYS  71  -9.513  -4.914  -0.819
  579    HD3  LYS  71           HD3      LYS  71 -10.382  -6.425  -1.100
  580    HE2  LYS  71           HE2      LYS  71 -11.327  -3.827  -2.265
  581    HE3  LYS  71           HE3      LYS  71 -10.101  -4.805  -3.070
  582    HZ1  LYS  71           HZ1      LYS  71 -12.613  -6.079  -2.227
  583    HZ2  LYS  71           HZ2      LYS  71 -11.583  -6.466  -3.523
  584    HZ3  LYS  71           HZ3      LYS  71 -12.606  -5.116  -3.620
  585    H    LEU  72           H        LEU  72 -10.565  -4.448   2.243
  586    HA   LEU  72           HA       LEU  72  -9.681  -4.970   4.246
  587    HB2  LEU  72           HB2      LEU  72  -9.875  -1.987   4.577
  588    HB3  LEU  72           HB3      LEU  72  -8.900  -3.045   5.579
  589    HG   LEU  72           HG       LEU  72  -7.376  -2.179   4.073
  590   HD11  LEU  72          HD11      LEU  72  -8.343  -4.756   2.880
  591   HD12  LEU  72          HD12      LEU  72  -7.128  -4.563   4.145
  592   HD13  LEU  72          HD13      LEU  72  -6.798  -3.989   2.508
  593   HD21  LEU  72          HD21      LEU  72  -8.851  -1.025   2.617
  594   HD22  LEU  72          HD22      LEU  72  -9.461  -2.548   1.976
  595   HD23  LEU  72          HD23      LEU  72  -7.802  -2.055   1.640
  596    H    HIS  73           H        HIS  73 -12.574  -5.156   4.252
  597    HA   HIS  73           HA       HIS  73 -14.155  -5.750   5.784
  598    HB2  HIS  73           HB2      HIS  73 -12.258  -6.757   6.988
  599    HB3  HIS  73           HB3      HIS  73 -11.942  -5.224   7.783
  600    HD1  HIS  73           HD1      HIS  73 -14.732  -7.810   7.600
  601    HD2  HIS  73           HD2      HIS  73 -13.136  -4.978  10.190
  602    HE1  HIS  73           HE1      HIS  73 -15.960  -8.111   9.774
  603    HE2  HIS  73           HE2      HIS  73 -14.781  -6.567  11.388
  604    H    GLY  74           H        GLY  74 -13.128  -2.775   5.250
  605    HA2  GLY  74           HA2      GLY  74 -14.167  -0.737   5.594
  606    HA3  GLY  74           HA3      GLY  74 -15.279  -1.520   6.715
  607    H    THR  75           H        THR  75 -11.770  -1.468   6.772
  608    HA   THR  75           HA       THR  75 -11.814  -0.180   9.398
  609    HB   THR  75           HB       THR  75  -9.390  -0.828   9.438
  610    HG1  THR  75           HG1      THR  75  -9.897  -2.552   7.267
  611   HG21  THR  75          HG21      THR  75  -9.787  -3.223   9.784
  612   HG22  THR  75          HG22      THR  75 -11.343  -3.083   8.965
  613   HG23  THR  75          HG23      THR  75 -11.074  -2.248  10.495
  614    H    LEU  76           H        LEU  76  -9.397   1.016   9.417
  615    HA   LEU  76           HA       LEU  76  -7.939   2.545   8.548
  616    HB2  LEU  76           HB2      LEU  76  -9.649   2.346   6.072
  617    HB3  LEU  76           HB3      LEU  76  -8.265   3.411   6.210
  618    HG   LEU  76           HG       LEU  76  -8.117   0.413   6.500
  619   HD11  LEU  76          HD11      LEU  76  -7.150   0.431   4.254
  620   HD12  LEU  76          HD12      LEU  76  -7.459   2.163   4.132
  621   HD13  LEU  76          HD13      LEU  76  -8.809   1.031   4.240
  622   HD21  LEU  76          HD21      LEU  76  -5.986   2.523   6.162
  623   HD22  LEU  76          HD22      LEU  76  -5.713   0.783   6.272
  624   HD23  LEU  76          HD23      LEU  76  -6.357   1.668   7.658
  625    HA   PRO  77           HA       PRO  77 -10.087   6.315   9.432
  626    HB2  PRO  77           HB2      PRO  77  -8.106   8.061   9.074
  627    HB3  PRO  77           HB3      PRO  77  -8.016   6.842  10.352
  628    HG2  PRO  77           HG2      PRO  77  -6.721   6.834   7.655
  629    HG3  PRO  77           HG3      PRO  77  -6.023   6.416   9.232
  630    HD2  PRO  77           HD2      PRO  77  -6.987   4.574   7.430
  631    HD3  PRO  77           HD3      PRO  77  -6.882   4.300   9.180
  632    H    LYS  78           H        LYS  78 -11.638   6.965   8.023
  633    HA   LYS  78           HA       LYS  78 -11.081   7.122   5.217
  634    HB2  LYS  78           HB2      LYS  78 -13.582   7.642   6.803
  635    HB3  LYS  78           HB3      LYS  78 -13.496   7.837   5.056
  636    HG2  LYS  78           HG2      LYS  78 -12.704   5.440   4.956
  637    HG3  LYS  78           HG3      LYS  78 -13.158   5.319   6.657
  638    HD2  LYS  78           HD2      LYS  78 -15.447   5.878   6.126
  639    HD3  LYS  78           HD3      LYS  78 -15.018   6.151   4.436
  640    HE2  LYS  78           HE2      LYS  78 -14.891   3.531   5.927
  641    HE3  LYS  78           HE3      LYS  78 -16.066   3.979   4.692
  642    HZ1  LYS  78           HZ1      LYS  78 -14.087   4.251   3.162
  643    HZ2  LYS  78           HZ2      LYS  78 -14.470   2.660   3.615
  644    HZ3  LYS  78           HZ3      LYS  78 -13.173   3.458   4.349
  645    H    LEU  79           H        LEU  79  -9.667   8.706   4.869
  646    HA   LEU  79           HA       LEU  79 -10.684  11.368   4.597
  647    HB2  LEU  79           HB2      LEU  79  -8.947  12.461   5.946
  648    HB3  LEU  79           HB3      LEU  79 -10.021  11.490   6.931
  649    HG   LEU  79           HG       LEU  79  -7.787   9.873   6.200
  650   HD11  LEU  79          HD11      LEU  79  -7.046  12.525   7.427
  651   HD12  LEU  79          HD12      LEU  79  -6.586  11.967   5.818
  652   HD13  LEU  79          HD13      LEU  79  -5.981  11.130   7.249
  653   HD21  LEU  79          HD21      LEU  79  -7.493   9.783   8.633
  654   HD22  LEU  79          HD22      LEU  79  -9.178   9.556   8.164
  655   HD23  LEU  79          HD23      LEU  79  -8.646  11.107   8.813
  656    H    ASN  80           H        ASN  80  -8.278  12.656   4.212
  657    HA   ASN  80           HA       ASN  80  -7.302  11.472   1.792
  658    HB2  ASN  80           HB2      ASN  80  -5.696  13.463   1.903
  659    HB3  ASN  80           HB3      ASN  80  -7.411  13.836   1.779
  660   HD21  ASN  80          HD21      ASN  80  -4.869  13.340   4.170
  661   HD22  ASN  80          HD22      ASN  80  -5.416  14.551   5.279
  662    H    PHE  81           H        PHE  81  -6.874   9.668   3.785
  663    HA   PHE  81           HA       PHE  81  -4.387   9.897   5.122
  664    HB2  PHE  81           HB2      PHE  81  -4.701   7.537   5.707
  665    HB3  PHE  81           HB3      PHE  81  -6.182   8.454   5.934
  666    HD1  PHE  81           HD1      PHE  81  -8.004   8.272   4.239
  667    HD2  PHE  81           HD2      PHE  81  -4.663   5.647   4.298
  668    HE1  PHE  81           HE1      PHE  81  -9.257   6.672   2.872
  669    HE2  PHE  81           HE2      PHE  81  -5.913   4.027   2.934
  670    HZ   PHE  81           HZ       PHE  81  -8.214   4.536   2.216
  671    H    GLY  82           H        GLY  82  -5.305   8.743   1.995
  672    HA2  GLY  82           HA2      GLY  82  -2.590   7.772   1.469
  673    HA3  GLY  82           HA3      GLY  82  -3.981   7.586   0.406
  674    H    MET  83           H        MET  83  -3.276  10.599   1.940
  675    HA   MET  83           HA       MET  83  -2.684  12.636   1.241
  676    HB2  MET  83           HB2      MET  83  -1.300  11.175  -0.993
  677    HB3  MET  83           HB3      MET  83  -1.129  12.885  -0.643
  678    HG2  MET  83           HG2      MET  83  -0.216  12.335   1.566
  679    HG3  MET  83           HG3      MET  83  -0.347  10.623   1.171
  680    HE1  MET  83           HE1      MET  83   2.160  10.305  -1.824
  681    HE2  MET  83           HE2      MET  83   0.435  10.667  -1.920
  682    HE3  MET  83           HE3      MET  83   1.020   9.455  -0.782
  683    H    LEU  84           H        LEU  84  -3.341  10.860  -1.707
  684    HA   LEU  84           HA       LEU  84  -4.769  13.137  -2.780
  685    HB2  LEU  84           HB2      LEU  84  -4.802  11.659  -4.862
  686    HB3  LEU  84           HB3      LEU  84  -3.269  12.326  -4.330
  687    HG   LEU  84           HG       LEU  84  -2.765  10.152  -3.227
  688   HD11  LEU  84          HD11      LEU  84  -4.100   8.235  -3.626
  689   HD12  LEU  84          HD12      LEU  84  -5.145   9.125  -4.737
  690   HD13  LEU  84          HD13      LEU  84  -5.161   9.513  -3.015
  691   HD21  LEU  84          HD21      LEU  84  -3.363   9.957  -6.171
  692   HD22  LEU  84          HD22      LEU  84  -2.215   8.970  -5.262
  693   HD23  LEU  84          HD23      LEU  84  -1.928  10.700  -5.467
  694    H    ARG  85           H        ARG  85  -5.782  10.906  -0.774
  695    HA   ARG  85           HA       ARG  85  -7.839   9.518  -2.089
  696    HB2  ARG  85           HB2      ARG  85  -7.518  10.258   0.815
  697    HB3  ARG  85           HB3      ARG  85  -8.854   9.283   0.211
  698    HG2  ARG  85           HG2      ARG  85  -5.946   8.561  -0.063
  699    HG3  ARG  85           HG3      ARG  85  -7.040   7.934   1.178
  700    HD2  ARG  85           HD2      ARG  85  -7.263   7.576  -1.812
  701    HD3  ARG  85           HD3      ARG  85  -6.898   6.334  -0.615
  702    HE   ARG  85           HE       ARG  85  -9.197   6.746   0.260
  703   HH11  ARG  85          HH11      ARG  85  -8.431   7.528  -3.086
  704   HH12  ARG  85          HH12      ARG  85 -10.066   7.322  -3.624
  705   HH21  ARG  85          HH21      ARG  85 -11.344   6.544  -0.455
  706   HH22  ARG  85          HH22      ARG  85 -11.706   6.762  -2.157
  707    H    LYS  86           H        LYS  86  -9.930   9.896  -2.460
  708    HA   LYS  86           HA       LYS  86 -11.934  10.909  -2.652
  709    HB2  LYS  86           HB2      LYS  86 -10.893  12.714  -0.478
  710    HB3  LYS  86           HB3      LYS  86 -12.516  12.830  -1.147
  711    HG2  LYS  86           HG2      LYS  86 -12.880  10.451  -0.485
  712    HG3  LYS  86           HG3      LYS  86 -11.319  10.500   0.335
  713    HD2  LYS  86           HD2      LYS  86 -13.163  10.894   1.893
  714    HD3  LYS  86           HD3      LYS  86 -12.112  12.305   1.765
  715    HE2  LYS  86           HE2      LYS  86 -14.452  12.972   1.766
  716    HE3  LYS  86           HE3      LYS  86 -13.693  13.344   0.219
  717    HZ1  LYS  86           HZ1      LYS  86 -15.442  11.004   0.777
  718    HZ2  LYS  86           HZ2      LYS  86 -14.701  11.348  -0.714
  719    HZ3  LYS  86           HZ3      LYS  86 -15.879  12.392  -0.091
  720    H    MET  87           H        MET  87  -9.039  12.746  -2.964
  721    HA   MET  87           HA       MET  87 -10.273  14.646  -4.788
  722    HB2  MET  87           HB2      MET  87  -7.372  14.174  -4.060
  723    HB3  MET  87           HB3      MET  87  -7.943  15.455  -5.122
  724    HG2  MET  87           HG2      MET  87  -9.258  16.372  -3.252
  725    HG3  MET  87           HG3      MET  87  -8.585  15.125  -2.204
  726    HE1  MET  87           HE1      MET  87  -6.011  14.941  -1.591
  727    HE2  MET  87           HE2      MET  87  -4.775  16.044  -2.200
  728    HE3  MET  87           HE3      MET  87  -5.594  14.938  -3.303
  729    H    GLY  88           H        GLY  88  -8.635  11.624  -4.789
  730    HA2  GLY  88           HA2      GLY  88  -9.461  10.920  -7.360
  731    HA3  GLY  88           HA3      GLY  88  -7.797  11.480  -7.459
  Start of MODEL    3
    1    H1   PHE   1           HT1      PHE   1  12.646 -14.715   3.834
    2    H2   PHE   1           HT2      PHE   1  14.324 -14.455   3.831
    3    H3   PHE   1           HT3      PHE   1  13.379 -13.924   2.527
    4    HA   PHE   1           HA       PHE   1  13.212 -12.901   5.300
    5    HB2  PHE   1           HB2      PHE   1  15.272 -12.179   4.248
    6    HB3  PHE   1           HB3      PHE   1  14.412 -11.721   2.782
    7    HD1  PHE   1           HD2      PHE   1  14.543 -10.944   6.427
    8    HD2  PHE   1           HD1      PHE   1  13.764  -9.527   2.490
    9    HE1  PHE   1           HE2      PHE   1  14.257  -8.665   7.307
   10    HE2  PHE   1           HE1      PHE   1  13.474  -7.244   3.363
   11    HZ   PHE   1           HZ       PHE   1  13.718  -6.813   5.775
   12    H    LEU   2           H        LEU   2  11.170 -12.370   5.692
   13    HA   LEU   2           HA       LEU   2   9.524 -11.322   3.518
   14    HB2  LEU   2           HB2      LEU   2   7.665 -11.403   5.049
   15    HB3  LEU   2           HB3      LEU   2   8.511 -12.934   5.106
   16    HG   LEU   2           HG       LEU   2   9.685 -11.766   7.203
   17   HD11  LEU   2          HD11      LEU   2   8.497  -9.650   6.990
   18   HD12  LEU   2          HD12      LEU   2   8.035 -10.473   8.480
   19   HD13  LEU   2          HD13      LEU   2   6.951 -10.492   7.090
   20   HD21  LEU   2          HD21      LEU   2   8.091 -12.941   8.610
   21   HD22  LEU   2          HD22      LEU   2   8.483 -13.901   7.180
   22   HD23  LEU   2          HD23      LEU   2   6.950 -13.030   7.269
   23    H    LEU   3           H        LEU   3   8.992  -9.198   3.327
   24    HA   LEU   3           HA       LEU   3  10.557  -7.233   4.555
   25    HB2  LEU   3           HB2      LEU   3   8.846  -7.334   2.454
   26    HB3  LEU   3           HB3      LEU   3   7.910  -6.401   3.611
   27    HG   LEU   3           HG       LEU   3  10.725  -5.587   3.258
   28   HD11  LEU   3          HD11      LEU   3  10.269  -4.408   1.201
   29   HD12  LEU   3          HD12      LEU   3   8.639  -5.083   1.156
   30   HD13  LEU   3          HD13      LEU   3  10.039  -6.145   0.990
   31   HD21  LEU   3          HD21      LEU   3   9.718  -3.363   3.416
   32   HD22  LEU   3          HD22      LEU   3   9.229  -4.397   4.759
   33   HD23  LEU   3          HD23      LEU   3   8.113  -4.092   3.428
   34    HA   PRO   4           HA       PRO   4   8.829  -7.394   8.638
   35    HB2  PRO   4           HB2      PRO   4  10.000  -4.656   8.738
   36    HB3  PRO   4           HB3      PRO   4  10.197  -6.007   9.862
   37    HG2  PRO   4           HG2      PRO   4  12.142  -5.370   8.165
   38    HG3  PRO   4           HG3      PRO   4  11.760  -7.066   8.513
   39    HD2  PRO   4           HD2      PRO   4  11.098  -5.430   6.107
   40    HD3  PRO   4           HD3      PRO   4  11.544  -7.149   6.216
   41    HA   PRO   5           HA       PRO   5   4.833  -5.629   7.958
   42    HB2  PRO   5           HB2      PRO   5   4.967  -5.634  10.953
   43    HB3  PRO   5           HB3      PRO   5   3.659  -6.174   9.889
   44    HG2  PRO   5           HG2      PRO   5   5.261  -7.950  11.008
   45    HG3  PRO   5           HG3      PRO   5   4.777  -8.136   9.311
   46    HD2  PRO   5           HD2      PRO   5   7.380  -7.235  10.457
   47    HD3  PRO   5           HD3      PRO   5   7.057  -8.178   8.988
   48    H    SER   6           H        SER   6   4.840  -3.590   7.245
   49    HA   SER   6           HA       SER   6   4.677  -1.354   7.227
   50    HB2  SER   6           HB2      SER   6   4.286  -1.793  10.183
   51    HB3  SER   6           HB3      SER   6   4.137  -0.209   9.417
   52    HG   SER   6           HG       SER   6   2.670  -1.488   7.898
   53    H    THR   7           H        THR   7   7.287  -2.768   7.712
   54    HA   THR   7           HA       THR   7   8.807  -0.341   8.386
   55    HB   THR   7           HB       THR   7   9.858  -3.157   8.036
   56    HG1  THR   7           HG1      THR   7   8.575  -3.109   9.885
   57   HG21  THR   7          HG21      THR   7  11.516  -1.379   7.661
   58   HG22  THR   7          HG22      THR   7  11.867  -2.301   9.124
   59   HG23  THR   7          HG23      THR   7  11.134  -0.700   9.246
   60    H    ALA   8           H        ALA   8   8.032   0.506   6.366
   61    HA   ALA   8           HA       ALA   8   8.484  -0.948   3.937
   62    HB1  ALA   8           HB1      ALA   8   6.464   0.423   4.285
   63    HB2  ALA   8           HB2      ALA   8   7.359   0.871   2.833
   64    HB3  ALA   8           HB3      ALA   8   7.474   1.868   4.285
   65    H    CYS   9           H        CYS   9  10.673  -1.129   3.684
   66    HA   CYS   9           HA       CYS   9  11.828   1.218   2.430
   67    HB2  CYS   9           HB2      CYS   9  12.642   0.923   4.916
   68    HB3  CYS   9           HB3      CYS   9  13.629  -0.362   4.233
   69    H    CYS  10           H        CYS  10  11.714   0.323   0.467
   70    HA   CYS  10           HA       CYS  10  12.497  -2.474   0.147
   71    HB2  CYS  10           HB2      CYS  10  10.940  -0.621  -1.661
   72    HB3  CYS  10           HB3      CYS  10  11.326  -2.296  -2.036
   73    H    THR  11           H        THR  11  14.490  -2.846  -0.496
   74    HA   THR  11           HA       THR  11  15.979  -0.955  -2.090
   75    HB   THR  11           HB       THR  11  17.707  -2.830  -2.064
   76    HG1  THR  11           HG1      THR  11  17.149  -4.330  -0.197
   77   HG21  THR  11          HG21      THR  11  17.791  -0.935  -0.512
   78   HG22  THR  11          HG22      THR  11  18.324  -2.425   0.273
   79   HG23  THR  11          HG23      THR  11  16.707  -1.788   0.590
   80    H    GLN  12           H        GLN  12  13.561  -2.917  -2.793
   81    HA   GLN  12           HA       GLN  12  14.273  -3.188  -5.563
   82    HB2  GLN  12           HB2      GLN  12  13.396  -5.653  -5.459
   83    HB3  GLN  12           HB3      GLN  12  15.078  -5.301  -5.110
   84    HG2  GLN  12           HG2      GLN  12  14.208  -6.923  -3.551
   85    HG3  GLN  12           HG3      GLN  12  14.608  -5.427  -2.715
   86   HE21  GLN  12          HE21      GLN  12  13.024  -4.298  -1.697
   87   HE22  GLN  12          HE22      GLN  12  11.393  -4.843  -1.543
   88    H    LEU  13           H        LEU  13  12.300  -4.092  -6.811
   89    HA   LEU  13           HA       LEU  13   9.814  -3.285  -5.460
   90    HB2  LEU  13           HB2      LEU  13  10.774  -2.284  -8.141
   91    HB3  LEU  13           HB3      LEU  13   9.140  -2.079  -7.547
   92    HG   LEU  13           HG       LEU  13  11.598  -0.941  -6.208
   93   HD11  LEU  13          HD11      LEU  13  10.791   1.213  -7.061
   94   HD12  LEU  13          HD12      LEU  13   9.538   0.369  -7.972
   95   HD13  LEU  13          HD13      LEU  13  11.237   0.107  -8.360
   96   HD21  LEU  13          HD21      LEU  13   9.964   0.359  -4.923
   97   HD22  LEU  13          HD22      LEU  13   9.768  -1.375  -4.664
   98   HD23  LEU  13          HD23      LEU  13   8.653  -0.510  -5.724
   99    H    TYR  14           H        TYR  14   7.901  -4.206  -6.323
  100    HA   TYR  14           HA       TYR  14   8.350  -6.636  -7.865
  101    HB2  TYR  14           HB2      TYR  14   6.868  -6.660  -5.856
  102    HB3  TYR  14           HB3      TYR  14   5.768  -5.566  -6.689
  103    HD1  TYR  14           HD1      TYR  14   7.343  -8.927  -6.993
  104    HD2  TYR  14           HD2      TYR  14   4.071  -6.422  -8.037
  105    HE1  TYR  14           HE1      TYR  14   6.199 -10.856  -8.005
  106    HE2  TYR  14           HE2      TYR  14   2.918  -8.338  -9.050
  107    HH   TYR  14           HH       TYR  14   3.892 -11.538  -8.577
  108    H    ARG  15           H        ARG  15   6.548  -3.618  -8.066
  109    HA   ARG  15           HA       ARG  15   6.110  -2.248  -9.816
  110    HB2  ARG  15           HB2      ARG  15   7.550  -4.322 -11.467
  111    HB3  ARG  15           HB3      ARG  15   6.971  -2.784 -12.088
  112    HG2  ARG  15           HG2      ARG  15   8.453  -1.591 -10.576
  113    HG3  ARG  15           HG3      ARG  15   9.002  -3.123  -9.891
  114    HD2  ARG  15           HD2      ARG  15   9.317  -2.266 -12.765
  115    HD3  ARG  15           HD3      ARG  15  10.585  -2.233 -11.541
  116    HE   ARG  15           HE       ARG  15   9.883  -4.798 -11.467
  117   HH11  ARG  15          HH11      ARG  15  10.504  -2.693 -14.198
  118   HH12  ARG  15          HH12      ARG  15  11.039  -3.987 -15.230
  119   HH21  ARG  15          HH21      ARG  15  10.598  -6.482 -12.786
  120   HH22  ARG  15          HH22      ARG  15  11.118  -6.152 -14.416
  121    H    LYS  16           H        LYS  16   5.563  -5.647 -10.744
  122    HA   LYS  16           HA       LYS  16   3.443  -5.102 -12.510
  123    HB2  LYS  16           HB2      LYS  16   4.003  -7.628 -10.952
  124    HB3  LYS  16           HB3      LYS  16   2.913  -7.500 -12.323
  125    HG2  LYS  16           HG2      LYS  16   4.884  -6.755 -13.688
  126    HG3  LYS  16           HG3      LYS  16   5.900  -7.190 -12.313
  127    HD2  LYS  16           HD2      LYS  16   4.041  -9.044 -13.796
  128    HD3  LYS  16           HD3      LYS  16   5.798  -9.003 -13.953
  129    HE2  LYS  16           HE2      LYS  16   6.065  -9.676 -11.656
  130    HE3  LYS  16           HE3      LYS  16   4.326  -9.573 -11.384
  131    HZ1  LYS  16           HZ1      LYS  16   5.666 -11.472 -13.241
  132    HZ2  LYS  16           HZ2      LYS  16   3.997 -11.384 -12.935
  133    HZ3  LYS  16           HZ3      LYS  16   5.057 -11.860 -11.706
  134    HA   PRO  17           HA       PRO  17  -0.056  -4.230  -9.969
  135    HB2  PRO  17           HB2      PRO  17  -1.571  -6.062 -11.743
  136    HB3  PRO  17           HB3      PRO  17  -1.871  -4.362 -11.360
  137    HG2  PRO  17           HG2      PRO  17  -0.889  -5.073 -13.732
  138    HG3  PRO  17           HG3      PRO  17  -0.329  -3.603 -12.915
  139    HD2  PRO  17           HD2      PRO  17   1.008  -6.267 -13.153
  140    HD3  PRO  17           HD3      PRO  17   1.716  -4.640 -13.223
  141    H    LEU  18           H        LEU  18  -1.300  -5.124  -8.341
  142    HA   LEU  18           HA       LEU  18  -0.442  -7.810  -7.577
  143    HB2  LEU  18           HB2      LEU  18  -1.828  -5.695  -5.929
  144    HB3  LEU  18           HB3      LEU  18  -1.168  -7.205  -5.328
  145    HG   LEU  18           HG       LEU  18   0.404  -4.899  -6.478
  146   HD11  LEU  18          HD11      LEU  18   1.325  -4.730  -4.225
  147   HD12  LEU  18          HD12      LEU  18   0.267  -6.038  -3.693
  148   HD13  LEU  18          HD13      LEU  18  -0.427  -4.505  -4.222
  149   HD21  LEU  18          HD21      LEU  18   1.397  -7.039  -7.098
  150   HD22  LEU  18          HD22      LEU  18   1.366  -7.550  -5.411
  151   HD23  LEU  18          HD23      LEU  18   2.386  -6.198  -5.904
  152    H    SER  19           H        SER  19  -1.997  -9.222  -6.488
  153    HA   SER  19           HA       SER  19  -4.424  -9.366  -8.051
  154    HB2  SER  19           HB2      SER  19  -3.287 -11.285  -6.006
  155    HB3  SER  19           HB3      SER  19  -4.646 -11.611  -7.085
  156    HG   SER  19           HG       SER  19  -2.838 -10.847  -8.713
  157    H    ASP  20           H        ASP  20  -6.406  -8.950  -7.371
  158    HA   ASP  20           HA       ASP  20  -6.893  -7.354  -5.149
  159    HB2  ASP  20           HB2      ASP  20  -8.306  -7.593  -7.229
  160    HB3  ASP  20           HB3      ASP  20  -8.945  -9.080  -6.540
  161    H    LYS  21           H        LYS  21  -7.012 -10.834  -5.484
  162    HA   LYS  21           HA       LYS  21  -8.469 -11.440  -3.158
  163    HB2  LYS  21           HB2      LYS  21  -6.384 -13.061  -4.621
  164    HB3  LYS  21           HB3      LYS  21  -7.413 -13.692  -3.343
  165    HG2  LYS  21           HG2      LYS  21  -8.447 -12.490  -5.896
  166    HG3  LYS  21           HG3      LYS  21  -8.187 -14.216  -5.646
  167    HD2  LYS  21           HD2      LYS  21  -9.886 -14.357  -4.039
  168    HD3  LYS  21           HD3      LYS  21  -9.910 -12.612  -3.780
  169    HE2  LYS  21           HE2      LYS  21 -10.725 -13.949  -6.355
  170    HE3  LYS  21           HE3      LYS  21 -11.851 -13.491  -5.077
  171    HZ1  LYS  21           HZ1      LYS  21 -11.140 -11.186  -5.340
  172    HZ2  LYS  21           HZ2      LYS  21 -11.767 -11.804  -6.791
  173    HZ3  LYS  21           HZ3      LYS  21 -10.089 -11.637  -6.594
  174    H    LEU  22           H        LEU  22  -4.954 -11.039  -3.632
  175    HA   LEU  22           HA       LEU  22  -4.439 -11.503  -0.845
  176    HB2  LEU  22           HB2      LEU  22  -2.157 -10.806  -1.290
  177    HB3  LEU  22           HB3      LEU  22  -2.696 -11.961  -2.486
  178    HG   LEU  22           HG       LEU  22  -3.185  -9.796  -3.907
  179   HD11  LEU  22          HD11      LEU  22  -1.557  -8.031  -3.499
  180   HD12  LEU  22          HD12      LEU  22  -1.024  -8.849  -2.028
  181   HD13  LEU  22          HD13      LEU  22  -2.665  -8.205  -2.137
  182   HD21  LEU  22          HD21      LEU  22  -0.938  -9.978  -4.858
  183   HD22  LEU  22          HD22      LEU  22  -1.638 -11.563  -4.529
  184   HD23  LEU  22          HD23      LEU  22  -0.417 -10.897  -3.446
  185    H    LEU  23           H        LEU  23  -5.273  -8.799  -2.830
  186    HA   LEU  23           HA       LEU  23  -4.330  -6.735  -1.156
  187    HB2  LEU  23           HB2      LEU  23  -6.441  -6.789  -3.301
  188    HB3  LEU  23           HB3      LEU  23  -5.997  -5.324  -2.449
  189    HG   LEU  23           HG       LEU  23  -4.125  -7.002  -4.118
  190   HD11  LEU  23          HD11      LEU  23  -5.753  -5.837  -5.489
  191   HD12  LEU  23          HD12      LEU  23  -4.161  -5.092  -5.657
  192   HD13  LEU  23          HD13      LEU  23  -5.396  -4.322  -4.658
  193   HD21  LEU  23          HD21      LEU  23  -2.552  -5.164  -3.810
  194   HD22  LEU  23          HD22      LEU  23  -2.988  -5.897  -2.266
  195   HD23  LEU  23          HD23      LEU  23  -3.698  -4.352  -2.742
  196    H    ARG  24           H        ARG  24  -7.542  -8.275  -1.381
  197    HA   ARG  24           HA       ARG  24  -8.848  -6.699   0.518
  198    HB2  ARG  24           HB2      ARG  24 -10.402  -8.587   0.790
  199    HB3  ARG  24           HB3      ARG  24 -10.049  -8.285  -0.907
  200    HG2  ARG  24           HG2      ARG  24  -8.574 -10.148  -1.009
  201    HG3  ARG  24           HG3      ARG  24  -8.659 -10.377   0.736
  202    HD2  ARG  24           HD2      ARG  24 -11.001 -10.988   0.567
  203    HD3  ARG  24           HD3      ARG  24 -10.973 -10.686  -1.173
  204    HE   ARG  24           HE       ARG  24  -9.688 -12.622  -1.476
  205   HH11  ARG  24          HH11      ARG  24 -10.586 -12.127   1.869
  206   HH12  ARG  24          HH12      ARG  24 -10.090 -13.722   2.368
  207   HH21  ARG  24          HH21      ARG  24  -9.050 -14.722  -0.833
  208   HH22  ARG  24          HH22      ARG  24  -9.216 -15.194   0.831
  209    H    LYS  25           H        LYS  25  -6.314  -8.933   0.928
  210    HA   LYS  25           HA       LYS  25  -6.926  -9.371   3.750
  211    HB2  LYS  25           HB2      LYS  25  -4.819 -10.596   1.981
  212    HB3  LYS  25           HB3      LYS  25  -5.050 -10.980   3.684
  213    HG2  LYS  25           HG2      LYS  25  -7.355 -11.724   3.146
  214    HG3  LYS  25           HG3      LYS  25  -6.992 -11.464   1.438
  215    HD2  LYS  25           HD2      LYS  25  -5.618 -13.391   3.305
  216    HD3  LYS  25           HD3      LYS  25  -6.701 -13.799   1.975
  217    HE2  LYS  25           HE2      LYS  25  -5.112 -12.818   0.392
  218    HE3  LYS  25           HE3      LYS  25  -4.029 -12.431   1.726
  219    HZ1  LYS  25           HZ1      LYS  25  -4.897 -15.180   0.997
  220    HZ2  LYS  25           HZ2      LYS  25  -3.758 -14.762   2.185
  221    HZ3  LYS  25           HZ3      LYS  25  -3.417 -14.485   0.548
  222    H    VAL  26           H        VAL  26  -5.463  -7.080   1.976
  223    HA   VAL  26           HA       VAL  26  -3.126  -6.546   3.496
  224    HB   VAL  26           HB       VAL  26  -4.823  -4.957   1.578
  225   HG11  VAL  26          HG11      VAL  26  -4.048  -3.371   3.236
  226   HG12  VAL  26          HG12      VAL  26  -3.218  -3.132   1.699
  227   HG13  VAL  26          HG13      VAL  26  -2.395  -3.942   3.031
  228   HG21  VAL  26          HG21      VAL  26  -2.793  -5.012   0.212
  229   HG22  VAL  26          HG22      VAL  26  -3.340  -6.634   0.638
  230   HG23  VAL  26          HG23      VAL  26  -1.970  -5.914   1.484
  231    H    ILE  27           H        ILE  27  -2.883  -5.070   5.194
  232    HA   ILE  27           HA       ILE  27  -5.410  -4.408   6.556
  233    HB   ILE  27           HB       ILE  27  -4.132  -4.426   8.678
  234   HG12  ILE  27          HG12      ILE  27  -1.921  -5.658   7.016
  235   HG13  ILE  27          HG13      ILE  27  -1.883  -4.030   7.682
  236   HG21  ILE  27          HG21      ILE  27  -3.967  -6.874   8.850
  237   HG22  ILE  27          HG22      ILE  27  -4.081  -6.991   7.095
  238   HG23  ILE  27          HG23      ILE  27  -5.438  -6.357   8.028
  239   HD11  ILE  27          HD11      ILE  27  -2.019  -6.580   9.278
  240   HD12  ILE  27          HD12      ILE  27  -1.947  -4.943   9.935
  241   HD13  ILE  27          HD13      ILE  27  -0.581  -5.588   9.021
  242    H    GLN  28           H        GLN  28  -2.365  -3.172   5.413
  243    HA   GLN  28           HA       GLN  28  -3.241  -0.471   6.016
  244    HB2  GLN  28           HB2      GLN  28  -0.761  -1.700   7.194
  245    HB3  GLN  28           HB3      GLN  28  -0.882   0.032   6.928
  246    HG2  GLN  28           HG2      GLN  28  -2.728  -1.619   8.637
  247    HG3  GLN  28           HG3      GLN  28  -1.433  -0.573   9.219
  248   HE21  GLN  28          HE21      GLN  28  -4.309  -0.486   9.721
  249   HE22  GLN  28          HE22      GLN  28  -4.830   1.088   9.232
  250    H    VAL  29           H        VAL  29  -2.248   1.113   4.796
  251    HA   VAL  29           HA       VAL  29  -0.437   0.189   2.677
  252    HB   VAL  29           HB       VAL  29  -2.445   1.269   1.800
  253   HG11  VAL  29          HG11      VAL  29  -3.058   2.634   3.706
  254   HG12  VAL  29          HG12      VAL  29  -2.929   3.637   2.261
  255   HG13  VAL  29          HG13      VAL  29  -1.639   3.651   3.462
  256   HG21  VAL  29          HG21      VAL  29  -0.338   1.613   0.597
  257   HG22  VAL  29          HG22      VAL  29  -0.048   3.084   1.528
  258   HG23  VAL  29          HG23      VAL  29  -1.420   2.996   0.422
  259    H    GLU  30           H        GLU  30   1.615   0.976   2.597
  260    HA   GLU  30           HA       GLU  30   2.315   3.029   4.575
  261    HB2  GLU  30           HB2      GLU  30   4.467   1.655   4.894
  262    HB3  GLU  30           HB3      GLU  30   2.996   1.109   5.686
  263    HG2  GLU  30           HG2      GLU  30   2.764  -0.303   3.448
  264    HG3  GLU  30           HG3      GLU  30   4.519  -0.095   3.452
  265    H    LEU  31           H        LEU  31   4.517   3.956   4.199
  266    HA   LEU  31           HA       LEU  31   5.064   4.146   1.318
  267    HB2  LEU  31           HB2      LEU  31   3.586   5.965   1.756
  268    HB3  LEU  31           HB3      LEU  31   4.440   6.394   3.222
  269    HG   LEU  31           HG       LEU  31   6.387   7.098   1.850
  270   HD11  LEU  31          HD11      LEU  31   4.531   6.593  -0.471
  271   HD12  LEU  31          HD12      LEU  31   5.999   5.689  -0.099
  272   HD13  LEU  31          HD13      LEU  31   6.099   7.391  -0.557
  273   HD21  LEU  31          HD21      LEU  31   3.764   8.416   1.152
  274   HD22  LEU  31          HD22      LEU  31   5.360   9.143   0.987
  275   HD23  LEU  31          HD23      LEU  31   4.740   8.734   2.587
  276    H    GLN  32           H        GLN  32   7.125   3.624   1.060
  277    HA   GLN  32           HA       GLN  32   9.151   4.229   3.000
  278    HB2  GLN  32           HB2      GLN  32   9.462   2.359   1.425
  279    HB3  GLN  32           HB3      GLN  32   9.413   3.486   0.073
  280    HG2  GLN  32           HG2      GLN  32  11.428   4.591   0.969
  281    HG3  GLN  32           HG3      GLN  32  11.495   3.378   2.244
  282   HE21  GLN  32          HE21      GLN  32  10.531   2.638  -1.015
  283   HE22  GLN  32          HE22      GLN  32  11.934   1.725  -1.438
  284    H    GLU  33           H        GLU  33   9.713   6.277   3.391
  285    HA   GLU  33           HA       GLU  33   9.170   8.279   1.366
  286    HB2  GLU  33           HB2      GLU  33   9.582   8.300   4.287
  287    HB3  GLU  33           HB3      GLU  33  10.139   9.725   3.415
  288    HG2  GLU  33           HG2      GLU  33   7.389   8.588   3.050
  289    HG3  GLU  33           HG3      GLU  33   7.769   9.776   4.295
  290    H    ALA  34           H        ALA  34  10.623   9.736   0.568
  291    HA   ALA  34           HA       ALA  34  13.167   8.542  -0.013
  292    HB1  ALA  34           HB1      ALA  34  11.824   9.677  -1.730
  293    HB2  ALA  34           HB2      ALA  34  13.447  10.355  -1.587
  294    HB3  ALA  34           HB3      ALA  34  12.070  11.207  -0.888
  295    H    ASP  35           H        ASP  35  12.218  10.304   2.568
  296    HA   ASP  35           HA       ASP  35  14.939  11.003   3.210
  297    HB2  ASP  35           HB2      ASP  35  14.573  13.354   3.602
  298    HB3  ASP  35           HB3      ASP  35  14.083  12.987   1.951
  299    H    GLY  36           H        GLY  36  11.606  10.612   4.124
  300    HA2  GLY  36           HA2      GLY  36  12.042  11.355   6.879
  301    HA3  GLY  36           HA3      GLY  36  10.548  10.751   6.187
  302    H    ASP  37           H        ASP  37  13.223   8.795   5.455
  303    HA   ASP  37           HA       ASP  37  13.507   7.259   7.775
  304    HB2  ASP  37           HB2      ASP  37  11.113   6.707   7.355
  305    HB3  ASP  37           HB3      ASP  37  11.568   6.053   5.785
  306    H    CYS  38           H        CYS  38  13.034   6.674   4.311
  307    HA   CYS  38           HA       CYS  38  15.762   5.573   4.178
  308    HB2  CYS  38           HB2      CYS  38  13.549   5.189   2.155
  309    HB3  CYS  38           HB3      CYS  38  15.050   4.274   2.298
  310    H    HIS  39           H        HIS  39  16.217   5.886   1.421
  311    HA   HIS  39           HA       HIS  39  15.992   8.813   1.162
  312    HB2  HIS  39           HB2      HIS  39  18.115   8.968   0.266
  313    HB3  HIS  39           HB3      HIS  39  18.316   7.682   1.445
  314    HD1  HIS  39           HD1      HIS  39  19.039   8.508  -1.953
  315    HD2  HIS  39           HD2      HIS  39  18.125   4.996   0.087
  316    HE1  HIS  39           HE1      HIS  39  19.831   6.632  -3.432
  317    HE2  HIS  39           HE2      HIS  39  19.429   4.533  -2.100
  318    H    LEU  40           H        LEU  40  14.680   6.086  -0.053
  319    HA   LEU  40           HA       LEU  40  14.066   7.472  -2.571
  320    HB2  LEU  40           HB2      LEU  40  14.056   5.480  -3.823
  321    HB3  LEU  40           HB3      LEU  40  15.542   5.440  -2.897
  322    HG   LEU  40           HG       LEU  40  13.525   4.102  -1.392
  323   HD11  LEU  40          HD11      LEU  40  13.011   2.269  -2.948
  324   HD12  LEU  40          HD12      LEU  40  13.784   3.171  -4.252
  325   HD13  LEU  40          HD13      LEU  40  12.327   3.804  -3.484
  326   HD21  LEU  40          HD21      LEU  40  15.081   2.221  -1.616
  327   HD22  LEU  40          HD22      LEU  40  15.924   3.718  -1.216
  328   HD23  LEU  40          HD23      LEU  40  15.960   3.100  -2.867
  329    H    GLN  41           H        GLN  41  11.902   6.717  -3.477
  330    HA   GLN  41           HA       GLN  41  10.094   6.440  -1.170
  331    HB2  GLN  41           HB2      GLN  41  10.095   8.702  -2.090
  332    HB3  GLN  41           HB3      GLN  41   9.703   8.068  -3.681
  333    HG2  GLN  41           HG2      GLN  41   7.559   7.305  -2.900
  334    HG3  GLN  41           HG3      GLN  41   7.950   7.800  -1.255
  335   HE21  GLN  41          HE21      GLN  41   7.932   9.963  -0.706
  336   HE22  GLN  41          HE22      GLN  41   7.223  11.169  -1.728
  337    H    ALA  42           H        ALA  42   8.517   4.980  -1.237
  338    HA   ALA  42           HA       ALA  42   7.544   3.893  -3.735
  339    HB1  ALA  42           HB1      ALA  42   8.755   1.999  -1.735
  340    HB2  ALA  42           HB2      ALA  42   9.571   2.522  -3.211
  341    HB3  ALA  42           HB3      ALA  42   8.066   1.605  -3.306
  342    H    PHE  43           H        PHE  43   5.445   3.408  -3.560
  343    HA   PHE  43           HA       PHE  43   4.197   3.465  -0.949
  344    HB2  PHE  43           HB2      PHE  43   3.227   3.561  -3.761
  345    HB3  PHE  43           HB3      PHE  43   2.128   2.922  -2.543
  346    HD1  PHE  43           HD1      PHE  43   1.446   4.326  -0.640
  347    HD2  PHE  43           HD2      PHE  43   3.700   5.890  -3.893
  348    HE1  PHE  43           HE1      PHE  43   0.825   6.607   0.032
  349    HE2  PHE  43           HE2      PHE  43   3.078   8.174  -3.230
  350    HZ   PHE  43           HZ       PHE  43   1.639   8.538  -1.264
  351    H    VAL  44           H        VAL  44   4.029   1.728   0.227
  352    HA   VAL  44           HA       VAL  44   4.316  -0.877  -1.097
  353    HB   VAL  44           HB       VAL  44   5.202   0.048   1.639
  354   HG11  VAL  44          HG11      VAL  44   5.433  -2.698   0.412
  355   HG12  VAL  44          HG12      VAL  44   4.430  -2.256   1.794
  356   HG13  VAL  44          HG13      VAL  44   6.188  -2.177   1.918
  357   HG21  VAL  44          HG21      VAL  44   7.444  -0.426   0.751
  358   HG22  VAL  44          HG22      VAL  44   6.600   0.805  -0.190
  359   HG23  VAL  44          HG23      VAL  44   6.722  -0.842  -0.804
  360    H    LEU  45           H        LEU  45   2.910  -2.493  -0.616
  361    HA   LEU  45           HA       LEU  45   0.580  -1.702   0.988
  362    HB2  LEU  45           HB2      LEU  45   0.767  -3.715  -1.256
  363    HB3  LEU  45           HB3      LEU  45  -0.693  -3.301  -0.372
  364    HG   LEU  45           HG       LEU  45   0.903  -1.436  -2.129
  365   HD11  LEU  45          HD11      LEU  45  -0.362  -3.071  -3.409
  366   HD12  LEU  45          HD12      LEU  45  -1.072  -1.465  -3.564
  367   HD13  LEU  45          HD13      LEU  45  -1.825  -2.663  -2.510
  368   HD21  LEU  45          HD21      LEU  45  -0.060  -0.256  -0.240
  369   HD22  LEU  45          HD22      LEU  45  -1.638  -0.970  -0.580
  370   HD23  LEU  45          HD23      LEU  45  -0.912   0.155  -1.730
  371    H    HIS  46           H        HIS  46   0.066  -2.820   2.739
  372    HA   HIS  46           HA       HIS  46   1.870  -5.047   3.402
  373    HB2  HIS  46           HB2      HIS  46   2.367  -3.041   4.648
  374    HB3  HIS  46           HB3      HIS  46   0.687  -2.879   5.136
  375    HD1  HIS  46           HD1      HIS  46   0.903  -3.093   7.599
  376    HD2  HIS  46           HD2      HIS  46   2.865  -6.151   5.588
  377    HE1  HIS  46           HE1      HIS  46   1.594  -4.723   9.372
  378    HE2  HIS  46           HE2      HIS  46   2.567  -6.667   8.107
  379    H    LEU  47           H        LEU  47   0.781  -6.893   3.232
  380    HA   LEU  47           HA       LEU  47  -1.948  -7.200   4.120
  381    HB2  LEU  47           HB2      LEU  47   0.156  -9.266   3.419
  382    HB3  LEU  47           HB3      LEU  47  -1.517  -9.630   3.782
  383    HG   LEU  47           HG       LEU  47  -2.095  -8.153   1.762
  384   HD11  LEU  47          HD11      LEU  47   0.817  -8.671   1.174
  385   HD12  LEU  47          HD12      LEU  47   0.087  -7.097   1.497
  386   HD13  LEU  47          HD13      LEU  47  -0.364  -7.997   0.049
  387   HD21  LEU  47          HD21      LEU  47  -2.314 -10.589   1.820
  388   HD22  LEU  47          HD22      LEU  47  -0.625 -10.750   1.337
  389   HD23  LEU  47          HD23      LEU  47  -1.792 -10.018   0.237
  390    H    ALA  48           H        ALA  48  -2.368  -8.960   5.834
  391    HA   ALA  48           HA       ALA  48  -1.338  -8.057   8.266
  392    HB1  ALA  48           HB1      ALA  48  -2.485  -9.942   9.283
  393    HB2  ALA  48           HB2      ALA  48  -2.669 -10.698   7.701
  394    HB3  ALA  48           HB3      ALA  48  -3.494  -9.180   8.055
  395    H    GLN  49           H        GLN  49   0.051 -10.247   6.040
  396    HA   GLN  49           HA       GLN  49   1.794 -11.399   8.101
  397    HB2  GLN  49           HB2      GLN  49   1.897 -12.320   5.261
  398    HB3  GLN  49           HB3      GLN  49   2.166 -13.228   6.740
  399    HG2  GLN  49           HG2      GLN  49   0.182 -14.093   5.943
  400    HG3  GLN  49           HG3      GLN  49  -0.357 -12.914   7.138
  401   HE21  GLN  49          HE21      GLN  49  -2.351 -12.576   6.205
  402   HE22  GLN  49          HE22      GLN  49  -2.545 -11.757   4.690
  403    H    ARG  50           H        ARG  50   1.935  -9.833   4.898
  404    HA   ARG  50           HA       ARG  50   4.640  -8.930   5.467
  405    HB2  ARG  50           HB2      ARG  50   5.332  -9.870   3.148
  406    HB3  ARG  50           HB3      ARG  50   5.301 -10.951   4.535
  407    HG2  ARG  50           HG2      ARG  50   4.335 -12.122   2.724
  408    HG3  ARG  50           HG3      ARG  50   3.014 -11.677   3.800
  409    HD2  ARG  50           HD2      ARG  50   2.573  -9.715   2.324
  410    HD3  ARG  50           HD3      ARG  50   3.789 -10.337   1.212
  411    HE   ARG  50           HE       ARG  50   1.389 -11.898   1.924
  412   HH11  ARG  50          HH11      ARG  50   3.608 -10.576  -0.453
  413   HH12  ARG  50          HH12      ARG  50   2.767 -11.282  -1.806
  414   HH21  ARG  50          HH21      ARG  50   0.292 -12.827   0.158
  415   HH22  ARG  50          HH22      ARG  50   0.889 -12.561  -1.459
  416    H    SER  51           H        SER  51   5.523  -7.619   3.576
  417    HA   SER  51           HA       SER  51   3.330  -5.996   2.467
  418    HB2  SER  51           HB2      SER  51   6.161  -5.187   3.176
  419    HB3  SER  51           HB3      SER  51   4.941  -4.123   2.478
  420    HG   SER  51           HG       SER  51   4.699  -3.736   4.578
  421    H    ILE  52           H        ILE  52   3.643  -5.043   0.368
  422    HA   ILE  52           HA       ILE  52   5.611  -6.436  -1.343
  423    HB   ILE  52           HB       ILE  52   2.850  -5.530  -2.200
  424   HG12  ILE  52          HG12      ILE  52   3.868  -8.335  -1.680
  425   HG13  ILE  52          HG13      ILE  52   2.750  -7.452  -0.646
  426   HG21  ILE  52          HG21      ILE  52   4.519  -5.492  -3.984
  427   HG22  ILE  52          HG22      ILE  52   3.319  -6.755  -4.252
  428   HG23  ILE  52          HG23      ILE  52   4.921  -7.174  -3.646
  429   HD11  ILE  52          HD11      ILE  52   2.234  -8.310  -3.484
  430   HD12  ILE  52          HD12      ILE  52   1.112  -7.418  -2.452
  431   HD13  ILE  52          HD13      ILE  52   1.584  -9.065  -2.026
  432    H    CYS  53           H        CYS  53   6.597  -5.145  -2.988
  433    HA   CYS  53           HA       CYS  53   6.593  -2.317  -2.214
  434    HB2  CYS  53           HB2      CYS  53   8.689  -3.873  -3.729
  435    HB3  CYS  53           HB3      CYS  53   8.842  -2.222  -3.140
  436    H    ILE  54           H        ILE  54   5.747  -0.875  -3.480
  437    HA   ILE  54           HA       ILE  54   5.778  -1.258  -6.393
  438    HB   ILE  54           HB       ILE  54   3.471  -0.544  -4.609
  439   HG12  ILE  54          HG12      ILE  54   3.754  -2.320  -7.041
  440   HG13  ILE  54          HG13      ILE  54   3.683  -2.853  -5.365
  441   HG21  ILE  54          HG21      ILE  54   3.610   1.328  -6.121
  442   HG22  ILE  54          HG22      ILE  54   2.223   0.317  -6.530
  443   HG23  ILE  54          HG23      ILE  54   3.692   0.238  -7.504
  444   HD11  ILE  54          HD11      ILE  54   1.395  -1.984  -5.206
  445   HD12  ILE  54          HD12      ILE  54   1.560  -3.210  -6.462
  446   HD13  ILE  54          HD13      ILE  54   1.472  -1.503  -6.901
  447    H    HIS  55           H        HIS  55   6.202   0.646  -7.587
  448    HA   HIS  55           HA       HIS  55   7.190   2.871  -5.998
  449    HB2  HIS  55           HB2      HIS  55   8.296   3.669  -7.901
  450    HB3  HIS  55           HB3      HIS  55   8.395   1.922  -8.067
  451    HD1  HIS  55           HD1      HIS  55   7.271   4.958  -9.771
  452    HD2  HIS  55           HD2      HIS  55   6.645   0.861 -10.124
  453    HE1  HIS  55           HE1      HIS  55   6.337   4.610 -12.077
  454    HE2  HIS  55           HE2      HIS  55   6.241   2.112 -12.358
  455    HA   PRO  56           HA       PRO  56   3.786   5.403  -5.608
  456    HB2  PRO  56           HB2      PRO  56   5.297   7.490  -7.135
  457    HB3  PRO  56           HB3      PRO  56   4.407   7.632  -5.612
  458    HG2  PRO  56           HG2      PRO  56   7.047   7.431  -5.592
  459    HG3  PRO  56           HG3      PRO  56   6.072   6.563  -4.390
  460    HD2  PRO  56           HD2      PRO  56   7.514   5.519  -6.776
  461    HD3  PRO  56           HD3      PRO  56   7.190   4.737  -5.220
  462    H    GLN  57           H        GLN  57   5.094   6.104  -8.878
  463    HA   GLN  57           HA       GLN  57   2.424   6.640  -9.837
  464    HB2  GLN  57           HB2      GLN  57   5.038   6.502 -11.349
  465    HB3  GLN  57           HB3      GLN  57   3.515   7.098 -11.992
  466    HG2  GLN  57           HG2      GLN  57   5.048   8.313  -9.700
  467    HG3  GLN  57           HG3      GLN  57   5.015   8.914 -11.356
  468   HE21  GLN  57          HE21      GLN  57   3.235   8.580  -8.393
  469   HE22  GLN  57          HE22      GLN  57   1.948   9.665  -8.796
  470    H    ASN  58           H        ASN  58   1.696   4.446  -9.227
  471    HA   ASN  58           HA       ASN  58   2.091   2.579 -11.461
  472    HB2  ASN  58           HB2      ASN  58   3.401   1.853  -9.471
  473    HB3  ASN  58           HB3      ASN  58   1.905   1.800  -8.546
  474   HD21  ASN  58          HD21      ASN  58   3.806   0.272 -11.003
  475   HD22  ASN  58          HD22      ASN  58   2.895  -1.193 -11.077
  476    HA   PRO  59           HA       PRO  59  -2.313   2.885 -11.762
  477    HB2  PRO  59           HB2      PRO  59  -2.080   0.129 -12.847
  478    HB3  PRO  59           HB3      PRO  59  -2.845   1.557 -13.551
  479    HG2  PRO  59           HG2      PRO  59  -0.501   0.674 -14.456
  480    HG3  PRO  59           HG3      PRO  59  -0.840   2.409 -14.324
  481    HD2  PRO  59           HD2      PRO  59   0.822   0.660 -12.568
  482    HD3  PRO  59           HD3      PRO  59   1.088   2.343 -13.062
  483    H    SER  60           H        SER  60  -0.805  -0.015 -10.389
  484    HA   SER  60           HA       SER  60  -3.256  -1.088  -9.382
  485    HB2  SER  60           HB2      SER  60  -1.192  -2.451  -9.941
  486    HB3  SER  60           HB3      SER  60  -0.460  -1.802  -8.478
  487    HG   SER  60           HG       SER  60  -2.245  -2.715  -7.316
  488    H    LEU  61           H        LEU  61  -0.941   1.198  -8.220
  489    HA   LEU  61           HA       LEU  61  -1.606   0.857  -5.436
  490    HB2  LEU  61           HB2      LEU  61   0.612   1.703  -6.557
  491    HB3  LEU  61           HB3      LEU  61  -0.195   3.255  -6.556
  492    HG   LEU  61           HG       LEU  61   1.351   2.938  -4.643
  493   HD11  LEU  61          HD11      LEU  61  -0.170   3.718  -2.906
  494   HD12  LEU  61          HD12      LEU  61  -1.546   3.213  -3.885
  495   HD13  LEU  61          HD13      LEU  61  -0.488   4.504  -4.450
  496   HD21  LEU  61          HD21      LEU  61   1.039   0.543  -4.304
  497   HD22  LEU  61          HD22      LEU  61  -0.617   0.831  -3.766
  498   HD23  LEU  61          HD23      LEU  61   0.739   1.445  -2.814
  499    H    SER  62           H        SER  62  -2.287   3.261  -7.977
  500    HA   SER  62           HA       SER  62  -3.784   5.042  -6.397
  501    HB2  SER  62           HB2      SER  62  -4.428   4.618  -9.291
  502    HB3  SER  62           HB3      SER  62  -4.261   6.129  -8.393
  503    HG   SER  62           HG       SER  62  -2.241   6.178  -8.959
  504    H    GLN  63           H        GLN  63  -4.861   2.443  -8.575
  505    HA   GLN  63           HA       GLN  63  -7.614   2.693  -8.110
  506    HB2  GLN  63           HB2      GLN  63  -7.817   0.451  -9.060
  507    HB3  GLN  63           HB3      GLN  63  -6.677   1.410  -9.994
  508    HG2  GLN  63           HG2      GLN  63  -5.383  -0.396  -9.858
  509    HG3  GLN  63           HG3      GLN  63  -5.012   0.199  -8.242
  510   HE21  GLN  63          HE21      GLN  63  -4.633  -1.788  -7.354
  511   HE22  GLN  63          HE22      GLN  63  -5.871  -2.975  -7.125
  512    H    TRP  64           H        TRP  64  -5.069   1.223  -6.298
  513    HA   TRP  64           HA       TRP  64  -6.747  -0.399  -4.679
  514    HB2  TRP  64           HB2      TRP  64  -4.353  -0.928  -5.011
  515    HB3  TRP  64           HB3      TRP  64  -3.928   0.526  -4.111
  516    HD1  TRP  64           HD1      TRP  64  -3.071  -0.241  -1.819
  517    HE1  TRP  64           HE1      TRP  64  -3.896  -1.862  -0.004
  518    HE3  TRP  64           HE3      TRP  64  -7.093  -2.239  -4.268
  519    HZ2  TRP  64           HZ2      TRP  64  -5.976  -3.725   0.344
  520    HZ3  TRP  64           HZ3      TRP  64  -8.449  -3.922  -3.116
  521    HH2  TRP  64           HH2      TRP  64  -7.898  -4.652  -0.859
  522    H    PHE  65           H        PHE  65  -5.564   2.908  -4.459
  523    HA   PHE  65           HA       PHE  65  -6.186   3.390  -1.781
  524    HB2  PHE  65           HB2      PHE  65  -6.084   5.129  -4.207
  525    HB3  PHE  65           HB3      PHE  65  -6.797   5.777  -2.732
  526    HD1  PHE  65           HD1      PHE  65  -5.293   5.075  -0.562
  527    HD2  PHE  65           HD2      PHE  65  -3.893   5.707  -4.528
  528    HE1  PHE  65           HE1      PHE  65  -3.061   5.612   0.319
  529    HE2  PHE  65           HE2      PHE  65  -1.659   6.236  -3.655
  530    HZ   PHE  65           HZ       PHE  65  -1.236   6.194  -1.229
  531    H    GLU  66           H        GLU  66  -8.281   3.546  -4.650
  532    HA   GLU  66           HA       GLU  66 -10.604   4.257  -3.151
  533    HB2  GLU  66           HB2      GLU  66 -10.427   2.930  -5.858
  534    HB3  GLU  66           HB3      GLU  66 -11.870   3.653  -5.168
  535    HG2  GLU  66           HG2      GLU  66 -10.634   5.833  -5.112
  536    HG3  GLU  66           HG3      GLU  66  -9.354   5.046  -6.037
  537    H    HIS  67           H        HIS  67  -9.199   1.205  -4.189
  538    HA   HIS  67           HA       HIS  67 -11.547  -0.301  -3.527
  539    HB2  HIS  67           HB2      HIS  67  -8.778  -1.141  -4.358
  540    HB3  HIS  67           HB3      HIS  67 -10.065  -2.287  -4.006
  541    HD1  HIS  67           HD1      HIS  67  -9.054  -2.493  -6.751
  542    HD2  HIS  67           HD2      HIS  67 -11.986   0.278  -5.733
  543    HE1  HIS  67           HE1      HIS  67 -10.237  -1.931  -8.896
  544    HE2  HIS  67           HE2      HIS  67 -12.145  -0.434  -8.216
  545    H    GLN  68           H        GLN  68  -8.458   0.346  -1.924
  546    HA   GLN  68           HA       GLN  68  -8.869  -1.529   0.176
  547    HB2  GLN  68           HB2      GLN  68  -7.064  -0.457   1.317
  548    HB3  GLN  68           HB3      GLN  68  -6.656  -0.474  -0.391
  549    HG2  GLN  68           HG2      GLN  68  -7.339   1.865  -0.575
  550    HG3  GLN  68           HG3      GLN  68  -7.743   1.876   1.141
  551   HE21  GLN  68          HE21      GLN  68  -5.187   1.805  -1.198
  552   HE22  GLN  68          HE22      GLN  68  -3.907   2.190  -0.106
  553    H    GLU  69           H        GLU  69  -9.920   1.698  -0.476
  554    HA   GLU  69           HA       GLU  69 -10.815   2.471   2.061
  555    HB2  GLU  69           HB2      GLU  69 -10.653   4.012   0.166
  556    HB3  GLU  69           HB3      GLU  69 -11.928   3.142  -0.671
  557    HG2  GLU  69           HG2      GLU  69 -13.491   3.764   1.128
  558    HG3  GLU  69           HG3      GLU  69 -12.203   4.707   1.884
  559    H    ARG  70           H        ARG  70 -12.278   0.470  -0.444
  560    HA   ARG  70           HA       ARG  70 -14.658   0.114   1.221
  561    HB2  ARG  70           HB2      ARG  70 -15.614  -1.060  -0.745
  562    HB3  ARG  70           HB3      ARG  70 -15.141   0.599  -1.080
  563    HG2  ARG  70           HG2      ARG  70 -13.074  -0.223  -2.133
  564    HG3  ARG  70           HG3      ARG  70 -13.602  -1.878  -1.830
  565    HD2  ARG  70           HD2      ARG  70 -15.183   0.112  -3.447
  566    HD3  ARG  70           HD3      ARG  70 -14.036  -1.027  -4.149
  567    HE   ARG  70           HE       ARG  70 -15.581  -2.723  -2.879
  568   HH11  ARG  70          HH11      ARG  70 -16.550   0.135  -4.659
  569   HH12  ARG  70          HH12      ARG  70 -18.060  -0.543  -5.165
  570   HH21  ARG  70          HH21      ARG  70 -17.575  -3.626  -3.570
  571   HH22  ARG  70          HH22      ARG  70 -18.649  -2.665  -4.552
  572    H    LYS  71           H        LYS  71 -11.708  -1.254   1.017
  573    HA   LYS  71           HA       LYS  71 -12.729  -3.844   2.005
  574    HB2  LYS  71           HB2      LYS  71 -10.072  -3.337   0.640
  575    HB3  LYS  71           HB3      LYS  71 -10.623  -4.879   1.271
  576    HG2  LYS  71           HG2      LYS  71 -12.441  -4.895  -0.374
  577    HG3  LYS  71           HG3      LYS  71 -11.849  -3.363  -1.022
  578    HD2  LYS  71           HD2      LYS  71  -9.618  -4.554  -1.345
  579    HD3  LYS  71           HD3      LYS  71 -10.507  -6.051  -1.059
  580    HE2  LYS  71           HE2      LYS  71 -11.224  -4.026  -3.168
  581    HE3  LYS  71           HE3      LYS  71 -10.217  -5.443  -3.468
  582    HZ1  LYS  71           HZ1      LYS  71 -13.052  -5.462  -2.555
  583    HZ2  LYS  71           HZ2      LYS  71 -12.093  -6.843  -2.786
  584    HZ3  LYS  71           HZ3      LYS  71 -12.493  -5.861  -4.106
  585    H    LEU  72           H        LEU  72  -9.943  -4.530   2.856
  586    HA   LEU  72           HA       LEU  72  -8.687  -4.428   4.746
  587    HB2  LEU  72           HB2      LEU  72  -8.871  -1.615   3.801
  588    HB3  LEU  72           HB3      LEU  72  -8.087  -1.930   5.336
  589    HG   LEU  72           HG       LEU  72  -6.484  -3.415   4.234
  590   HD11  LEU  72          HD11      LEU  72  -7.928  -2.638   1.706
  591   HD12  LEU  72          HD12      LEU  72  -7.867  -4.245   2.429
  592   HD13  LEU  72          HD13      LEU  72  -6.399  -3.513   1.781
  593   HD21  LEU  72          HD21      LEU  72  -6.740  -0.713   2.934
  594   HD22  LEU  72          HD22      LEU  72  -5.283  -1.707   2.962
  595   HD23  LEU  72          HD23      LEU  72  -5.940  -1.062   4.467
  596    H    HIS  73           H        HIS  73 -11.603  -4.381   5.185
  597    HA   HIS  73           HA       HIS  73 -12.915  -4.540   7.039
  598    HB2  HIS  73           HB2      HIS  73 -10.714  -5.110   8.182
  599    HB3  HIS  73           HB3      HIS  73 -10.620  -3.421   8.655
  600    HD1  HIS  73           HD1      HIS  73 -11.054  -3.440  11.089
  601    HD2  HIS  73           HD2      HIS  73 -13.768  -5.802   9.000
  602    HE1  HIS  73           HE1      HIS  73 -12.738  -4.209  12.791
  603    HE2  HIS  73           HE2      HIS  73 -14.395  -5.602  11.504
  604    H    GLY  74           H        GLY  74 -11.622  -1.718   5.844
  605    HA2  GLY  74           HA2      GLY  74 -12.640   0.354   5.655
  606    HA3  GLY  74           HA3      GLY  74 -13.868  -0.177   6.793
  607    H    THR  75           H        THR  75 -11.361  -0.969   8.515
  608    HA   THR  75           HA       THR  75 -11.384   1.520   9.986
  609    HB   THR  75           HB       THR  75  -9.805   0.099  11.497
  610    HG1  THR  75           HG1      THR  75  -9.591  -1.929  10.915
  611   HG21  THR  75          HG21      THR  75 -12.045   0.784  12.147
  612   HG22  THR  75          HG22      THR  75 -11.782  -0.901  12.600
  613   HG23  THR  75          HG23      THR  75 -12.746  -0.509  11.178
  614    H    LEU  76           H        LEU  76 -10.224   2.880   8.685
  615    HA   LEU  76           HA       LEU  76  -7.338   2.447   8.592
  616    HB2  LEU  76           HB2      LEU  76  -8.996   3.374   6.242
  617    HB3  LEU  76           HB3      LEU  76  -7.249   3.267   6.281
  618    HG   LEU  76           HG       LEU  76  -9.109   0.906   6.536
  619   HD11  LEU  76          HD11      LEU  76  -7.502   1.873   4.170
  620   HD12  LEU  76          HD12      LEU  76  -9.258   1.908   4.316
  621   HD13  LEU  76          HD13      LEU  76  -8.410   0.364   4.254
  622   HD21  LEU  76          HD21      LEU  76  -6.940   0.611   7.642
  623   HD22  LEU  76          HD22      LEU  76  -6.119   1.050   6.143
  624   HD23  LEU  76          HD23      LEU  76  -7.092  -0.421   6.219
  625    HA   PRO  77           HA       PRO  77  -7.441   6.684   9.829
  626    HB2  PRO  77           HB2      PRO  77  -4.866   7.272   9.700
  627    HB3  PRO  77           HB3      PRO  77  -5.427   5.966  10.757
  628    HG2  PRO  77           HG2      PRO  77  -4.191   5.780   8.030
  629    HG3  PRO  77           HG3      PRO  77  -3.821   4.838   9.489
  630    HD2  PRO  77           HD2      PRO  77  -5.509   3.995   7.467
  631    HD3  PRO  77           HD3      PRO  77  -5.567   3.402   9.139
  632    H    LYS  78           H        LYS  78  -7.168   8.867   9.082
  633    HA   LYS  78           HA       LYS  78  -7.351   9.173   6.238
  634    HB2  LYS  78           HB2      LYS  78  -8.686  10.564   7.783
  635    HB3  LYS  78           HB3      LYS  78  -7.203  11.260   8.425
  636    HG2  LYS  78           HG2      LYS  78  -6.696  12.091   6.144
  637    HG3  LYS  78           HG3      LYS  78  -8.296  11.553   5.640
  638    HD2  LYS  78           HD2      LYS  78  -8.495  13.864   6.149
  639    HD3  LYS  78           HD3      LYS  78  -9.232  12.988   7.493
  640    HE2  LYS  78           HE2      LYS  78  -7.890  14.740   8.408
  641    HE3  LYS  78           HE3      LYS  78  -7.069  13.212   8.724
  642    HZ1  LYS  78           HZ1      LYS  78  -5.698  13.680   6.714
  643    HZ2  LYS  78           HZ2      LYS  78  -5.458  14.773   7.978
  644    HZ3  LYS  78           HZ3      LYS  78  -6.399  15.220   6.638
  645    H    LEU  79           H        LEU  79  -5.325   8.436   5.512
  646    HA   LEU  79           HA       LEU  79  -2.960   9.883   6.391
  647    HB2  LEU  79           HB2      LEU  79  -1.677   8.301   5.070
  648    HB3  LEU  79           HB3      LEU  79  -2.794   7.452   6.117
  649    HG   LEU  79           HG       LEU  79  -3.845   7.950   3.419
  650   HD11  LEU  79          HD11      LEU  79  -1.536   7.600   2.806
  651   HD12  LEU  79          HD12      LEU  79  -2.483   6.171   2.397
  652   HD13  LEU  79          HD13      LEU  79  -1.452   6.166   3.827
  653   HD21  LEU  79          HD21      LEU  79  -4.528   5.629   3.632
  654   HD22  LEU  79          HD22      LEU  79  -4.946   6.519   5.095
  655   HD23  LEU  79          HD23      LEU  79  -3.546   5.452   5.084
  656    H    ASN  80           H        ASN  80  -5.179  10.993   4.788
  657    HA   ASN  80           HA       ASN  80  -5.474  12.595   3.211
  658    HB2  ASN  80           HB2      ASN  80  -2.451  12.611   3.081
  659    HB3  ASN  80           HB3      ASN  80  -3.508  13.835   2.387
  660   HD21  ASN  80          HD21      ASN  80  -1.418  14.069   4.395
  661   HD22  ASN  80          HD22      ASN  80  -2.166  14.766   5.795
  662    H    PHE  81           H        PHE  81  -5.430   9.828   2.532
  663    HA   PHE  81           HA       PHE  81  -4.013   9.374   0.118
  664    HB2  PHE  81           HB2      PHE  81  -5.384   7.343  -0.055
  665    HB3  PHE  81           HB3      PHE  81  -4.702   7.527   1.553
  666    HD1  PHE  81           HD2      PHE  81  -6.158   8.248   3.430
  667    HD2  PHE  81           HD1      PHE  81  -7.731   7.285  -0.411
  668    HE1  PHE  81           HE2      PHE  81  -8.401   8.008   4.410
  669    HE2  PHE  81           HE1      PHE  81  -9.973   7.040   0.569
  670    HZ   PHE  81           HZ       PHE  81 -10.309   7.400   2.979
  671    H    GLY  82           H        GLY  82  -6.770  11.184   0.792
  672    HA2  GLY  82           HA2      GLY  82  -8.401  10.763  -1.446
  673    HA3  GLY  82           HA3      GLY  82  -8.309  12.253  -0.520
  674    H    MET  83           H        MET  83  -5.409  12.543  -1.135
  675    HA   MET  83           HA       MET  83  -5.776  14.086  -3.508
  676    HB2  MET  83           HB2      MET  83  -3.345  14.626  -3.273
  677    HB3  MET  83           HB3      MET  83  -4.322  15.014  -1.870
  678    HG2  MET  83           HG2      MET  83  -2.262  14.111  -1.117
  679    HG3  MET  83           HG3      MET  83  -3.517  12.923  -0.800
  680    HE1  MET  83           HE1      MET  83  -0.520  12.121  -0.595
  681    HE2  MET  83           HE2      MET  83  -0.490  10.605  -1.496
  682    HE3  MET  83           HE3      MET  83  -1.843  10.964  -0.424
  683    H    LEU  84           H        LEU  84  -5.106  10.852  -3.072
  684    HA   LEU  84           HA       LEU  84  -3.969  10.714  -5.785
  685    HB2  LEU  84           HB2      LEU  84  -2.717   9.881  -3.496
  686    HB3  LEU  84           HB3      LEU  84  -3.484   8.403  -4.044
  687    HG   LEU  84           HG       LEU  84  -1.799  10.035  -5.925
  688   HD11  LEU  84          HD11      LEU  84   0.116   8.617  -5.315
  689   HD12  LEU  84          HD12      LEU  84  -0.821   7.949  -3.980
  690   HD13  LEU  84          HD13      LEU  84  -0.395   9.658  -3.987
  691   HD21  LEU  84          HD21      LEU  84  -2.479   7.101  -5.759
  692   HD22  LEU  84          HD22      LEU  84  -1.467   7.853  -6.992
  693   HD23  LEU  84          HD23      LEU  84  -3.178   8.270  -6.881
  694    H    ARG  85           H        ARG  85  -6.635  10.205  -3.966
  695    HA   ARG  85           HA       ARG  85  -7.564   7.728  -5.041
  696    HB2  ARG  85           HB2      ARG  85  -8.473   8.628  -2.931
  697    HB3  ARG  85           HB3      ARG  85  -9.135   9.999  -3.806
  698    HG2  ARG  85           HG2      ARG  85 -10.333   8.145  -5.205
  699    HG3  ARG  85           HG3      ARG  85 -10.031   7.165  -3.772
  700    HD2  ARG  85           HD2      ARG  85 -11.325   9.867  -3.594
  701    HD3  ARG  85           HD3      ARG  85 -12.266   8.419  -3.938
  702    HE   ARG  85           HE       ARG  85 -11.449   7.548  -1.768
  703   HH11  ARG  85          HH11      ARG  85 -11.340  11.008  -2.327
  704   HH12  ARG  85          HH12      ARG  85 -11.549  11.413  -0.649
  705   HH21  ARG  85          HH21      ARG  85 -11.748   8.062   0.409
  706   HH22  ARG  85          HH22      ARG  85 -11.781   9.734   0.909
  707    H    LYS  86           H        LYS  86  -7.166   7.978  -7.286
  708    HA   LYS  86           HA       LYS  86  -7.842   8.250  -9.431
  709    HB2  LYS  86           HB2      LYS  86 -10.100   7.776  -8.418
  710    HB3  LYS  86           HB3      LYS  86 -10.350   9.512  -8.319
  711    HG2  LYS  86           HG2      LYS  86 -11.459   8.642 -10.268
  712    HG3  LYS  86           HG3      LYS  86 -10.101   9.659 -10.759
  713    HD2  LYS  86           HD2      LYS  86 -10.278   7.569 -12.080
  714    HD3  LYS  86           HD3      LYS  86  -8.748   7.724 -11.219
  715    HE2  LYS  86           HE2      LYS  86  -9.671   5.451 -11.083
  716    HE3  LYS  86           HE3      LYS  86  -9.519   6.210  -9.498
  717    HZ1  LYS  86           HZ1      LYS  86 -11.602   5.111  -9.604
  718    HZ2  LYS  86           HZ2      LYS  86 -12.008   5.855 -11.079
  719    HZ3  LYS  86           HZ3      LYS  86 -11.910   6.775  -9.660
  720    H    MET  87           H        MET  87  -7.064  10.644  -7.418
  721    HA   MET  87           HA       MET  87  -7.114  12.690  -9.533
  722    HB2  MET  87           HB2      MET  87  -7.455  13.017  -6.549
  723    HB3  MET  87           HB3      MET  87  -7.117  14.361  -7.633
  724    HG2  MET  87           HG2      MET  87  -9.179  13.992  -8.813
  725    HG3  MET  87           HG3      MET  87  -9.497  12.539  -7.870
  726    HE1  MET  87           HE1      MET  87 -10.244  12.502  -5.386
  727    HE2  MET  87           HE2      MET  87 -10.294  13.921  -4.341
  728    HE3  MET  87           HE3      MET  87  -8.748  13.315  -4.930
  729    H    GLY  88           H        GLY  88  -5.183  10.569  -8.586
  730    HA2  GLY  88           HA2      GLY  88  -2.871  12.370  -8.301
  731    HA3  GLY  88           HA3      GLY  88  -2.992  10.886  -7.359
  Start of MODEL    4
    1    H1   PHE   1           HT1      PHE   1  13.532 -10.411   7.802
    2    H2   PHE   1           HT2      PHE   1  14.470 -11.587   7.022
    3    H3   PHE   1           HT3      PHE   1  12.943 -11.995   7.639
    4    HA   PHE   1           HA       PHE   1  13.484 -10.115   5.420
    5    HB2  PHE   1           HB2      PHE   1  13.790 -12.495   4.821
    6    HB3  PHE   1           HB3      PHE   1  12.172 -12.843   5.427
    7    HD1  PHE   1           HD2      PHE   1  13.937 -10.695   2.948
    8    HD2  PHE   1           HD1      PHE   1  10.375 -12.793   3.968
    9    HE1  PHE   1           HE2      PHE   1  12.993 -10.161   0.742
   10    HE2  PHE   1           HE1      PHE   1   9.427 -12.258   1.760
   11    HZ   PHE   1           HZ       PHE   1  10.736 -10.944   0.147
   12    H    LEU   2           H        LEU   2  11.356 -11.203   7.894
   13    HA   LEU   2           HA       LEU   2   8.912 -10.296   6.834
   14    HB2  LEU   2           HB2      LEU   2   9.088 -11.744   8.816
   15    HB3  LEU   2           HB3      LEU   2   9.835 -10.438   9.710
   16    HG   LEU   2           HG       LEU   2   7.107  -9.992   8.574
   17   HD11  LEU   2          HD11      LEU   2   6.100 -10.975  10.573
   18   HD12  LEU   2          HD12      LEU   2   7.685 -11.555  11.088
   19   HD13  LEU   2          HD13      LEU   2   6.948 -12.189   9.617
   20   HD21  LEU   2          HD21      LEU   2   8.311  -8.170   9.694
   21   HD22  LEU   2          HD22      LEU   2   8.441  -9.156  11.149
   22   HD23  LEU   2          HD23      LEU   2   6.857  -8.631  10.579
   23    H    LEU   3           H        LEU   3   8.566  -8.306   6.110
   24    HA   LEU   3           HA       LEU   3  10.001  -6.027   6.982
   25    HB2  LEU   3           HB2      LEU   3   7.585  -6.471   5.282
   26    HB3  LEU   3           HB3      LEU   3   7.902  -4.855   5.874
   27    HG   LEU   3           HG       LEU   3   8.789  -5.036   3.661
   28   HD11  LEU   3          HD11      LEU   3  11.128  -4.486   4.040
   29   HD12  LEU   3          HD12      LEU   3  11.032  -5.159   5.668
   30   HD13  LEU   3          HD13      LEU   3  10.090  -3.729   5.247
   31   HD21  LEU   3          HD21      LEU   3   9.013  -7.438   3.479
   32   HD22  LEU   3          HD22      LEU   3  10.331  -7.431   4.653
   33   HD23  LEU   3          HD23      LEU   3  10.543  -6.657   3.081
   34    HA   PRO   4           HA       PRO   4   7.856  -5.576  10.861
   35    HB2  PRO   4           HB2      PRO   4   9.246  -2.961  10.845
   36    HB3  PRO   4           HB3      PRO   4   9.296  -4.252  12.047
   37    HG2  PRO   4           HG2      PRO   4  11.379  -3.790  10.435
   38    HG3  PRO   4           HG3      PRO   4  10.921  -5.441  10.897
   39    HD2  PRO   4           HD2      PRO   4  10.399  -3.971   8.343
   40    HD3  PRO   4           HD3      PRO   4  10.874  -5.667   8.587
   41    HA   PRO   5           HA       PRO   5   4.289  -3.324   9.393
   42    HB2  PRO   5           HB2      PRO   5   3.794  -3.147  12.328
   43    HB3  PRO   5           HB3      PRO   5   2.712  -3.678  11.035
   44    HG2  PRO   5           HG2      PRO   5   3.851  -5.453  12.644
   45    HG3  PRO   5           HG3      PRO   5   3.689  -5.782  10.908
   46    HD2  PRO   5           HD2      PRO   5   6.104  -4.969  12.468
   47    HD3  PRO   5           HD3      PRO   5   5.969  -6.086  11.095
   48    H    SER   6           H        SER   6   4.248  -1.256   8.820
   49    HA   SER   6           HA       SER   6   4.423   0.994   8.820
   50    HB2  SER   6           HB2      SER   6   4.520   0.681  11.830
   51    HB3  SER   6           HB3      SER   6   4.291   2.205  10.971
   52    HG   SER   6           HG       SER   6   2.498   0.644   9.944
   53    H    THR   7           H        THR   7   6.774  -0.799   8.805
   54    HA   THR   7           HA       THR   7   8.711   1.375   9.112
   55    HB   THR   7           HB       THR   7   9.303  -1.525   9.756
   56    HG1  THR   7           HG1      THR   7   8.371   0.580  11.271
   57   HG21  THR   7          HG21      THR   7  11.000   0.966  10.021
   58   HG22  THR   7          HG22      THR   7  11.229  -0.323   8.839
   59   HG23  THR   7          HG23      THR   7  11.459  -0.652  10.555
   60    H    ALA   8           H        ALA   8   8.711   1.869   6.982
   61    HA   ALA   8           HA       ALA   8   8.957  -0.332   5.060
   62    HB1  ALA   8           HB1      ALA   8   7.901   1.125   3.430
   63    HB2  ALA   8           HB2      ALA   8   7.847   2.434   4.610
   64    HB3  ALA   8           HB3      ALA   8   6.893   0.975   4.870
   65    H    CYS   9           H        CYS   9  11.033  -0.571   4.629
   66    HA   CYS   9           HA       CYS   9  12.230   1.584   3.101
   67    HB2  CYS   9           HB2      CYS   9  13.130   1.346   5.620
   68    HB3  CYS   9           HB3      CYS   9  14.129   0.118   4.853
   69    H    CYS  10           H        CYS  10  11.756   0.415   1.320
   70    HA   CYS  10           HA       CYS  10  12.724  -2.356   1.203
   71    HB2  CYS  10           HB2      CYS  10  10.229  -1.816   1.098
   72    HB3  CYS  10           HB3      CYS  10  10.555  -1.136  -0.491
   73    H    THR  11           H        THR  11  13.766  -3.082  -0.655
   74    HA   THR  11           HA       THR  11  14.534  -1.001  -2.583
   75    HB   THR  11           HB       THR  11  16.629  -2.396  -2.915
   76    HG1  THR  11           HG1      THR  11  17.075  -3.966  -1.479
   77   HG21  THR  11          HG21      THR  11  16.648  -0.283  -1.679
   78   HG22  THR  11          HG22      THR  11  17.760  -1.447  -0.960
   79   HG23  THR  11          HG23      THR  11  16.198  -1.134  -0.201
   80    H    GLN  12           H        GLN  12  12.646  -3.633  -2.271
   81    HA   GLN  12           HA       GLN  12  13.188  -4.610  -4.990
   82    HB2  GLN  12           HB2      GLN  12  11.454  -5.972  -2.929
   83    HB3  GLN  12           HB3      GLN  12  12.022  -6.638  -4.452
   84    HG2  GLN  12           HG2      GLN  12  13.677  -7.567  -3.319
   85    HG3  GLN  12           HG3      GLN  12  14.339  -5.948  -3.085
   86   HE21  GLN  12          HE21      GLN  12  11.966  -5.206  -1.485
   87   HE22  GLN  12          HE22      GLN  12  12.228  -5.906   0.068
   88    H    LEU  13           H        LEU  13  12.047  -3.247  -6.283
   89    HA   LEU  13           HA       LEU  13   9.325  -2.532  -5.483
   90    HB2  LEU  13           HB2      LEU  13  11.029  -1.487  -7.745
   91    HB3  LEU  13           HB3      LEU  13   9.447  -0.876  -7.294
   92    HG   LEU  13           HG       LEU  13  11.909  -0.794  -5.546
   93   HD11  LEU  13          HD11      LEU  13  11.902   1.598  -5.936
   94   HD12  LEU  13          HD12      LEU  13  10.509   1.441  -7.004
   95   HD13  LEU  13          HD13      LEU  13  12.053   0.727  -7.462
   96   HD21  LEU  13          HD21      LEU  13   9.873  -0.988  -4.234
   97   HD22  LEU  13          HD22      LEU  13   9.147   0.349  -5.127
   98   HD23  LEU  13          HD23      LEU  13  10.545   0.636  -4.091
   99    H    TYR  14           H        TYR  14   7.738  -3.739  -6.124
  100    HA   TYR  14           HA       TYR  14   8.058  -5.944  -7.839
  101    HB2  TYR  14           HB2      TYR  14   6.435  -5.629  -5.898
  102    HB3  TYR  14           HB3      TYR  14   5.424  -4.725  -7.019
  103    HD1  TYR  14           HD2      TYR  14   7.044  -8.039  -6.538
  104    HD2  TYR  14           HD1      TYR  14   3.896  -5.851  -8.381
  105    HE1  TYR  14           HE2      TYR  14   6.026 -10.149  -7.289
  106    HE2  TYR  14           HE1      TYR  14   2.868  -7.954  -9.130
  107    HH   TYR  14           HH       TYR  14   3.806 -10.985  -7.936
  108    H    ARG  15           H        ARG  15   5.999  -3.064  -8.296
  109    HA   ARG  15           HA       ARG  15   5.281  -1.955 -10.140
  110    HB2  ARG  15           HB2      ARG  15   7.751  -3.225 -11.300
  111    HB3  ARG  15           HB3      ARG  15   6.741  -2.103 -12.201
  112    HG2  ARG  15           HG2      ARG  15   7.299  -0.309 -10.835
  113    HG3  ARG  15           HG3      ARG  15   7.872  -1.355  -9.534
  114    HD2  ARG  15           HD2      ARG  15   9.181  -1.139 -12.236
  115    HD3  ARG  15           HD3      ARG  15   9.687  -0.220 -10.817
  116    HE   ARG  15           HE       ARG  15   9.753  -2.750  -9.906
  117   HH11  ARG  15          HH11      ARG  15  11.066  -1.318 -12.819
  118   HH12  ARG  15          HH12      ARG  15  12.421  -2.401 -12.888
  119   HH21  ARG  15          HH21      ARG  15  11.521  -4.166  -9.996
  120   HH22  ARG  15          HH22      ARG  15  12.677  -4.027 -11.284
  121    H    LYS  16           H        LYS  16   3.496  -3.561  -9.911
  122    HA   LYS  16           HA       LYS  16   2.617  -4.336 -12.458
  123    HB2  LYS  16           HB2      LYS  16   4.283  -6.211 -11.897
  124    HB3  LYS  16           HB3      LYS  16   3.139  -6.708 -10.659
  125    HG2  LYS  16           HG2      LYS  16   1.425  -7.022 -12.389
  126    HG3  LYS  16           HG3      LYS  16   2.603  -6.563 -13.620
  127    HD2  LYS  16           HD2      LYS  16   2.539  -8.935 -13.589
  128    HD3  LYS  16           HD3      LYS  16   4.038  -8.462 -12.789
  129    HE2  LYS  16           HE2      LYS  16   2.849  -8.692 -10.603
  130    HE3  LYS  16           HE3      LYS  16   1.470  -9.348 -11.486
  131    HZ1  LYS  16           HZ1      LYS  16   2.818 -11.120 -10.611
  132    HZ2  LYS  16           HZ2      LYS  16   4.203 -10.507 -11.371
  133    HZ3  LYS  16           HZ3      LYS  16   2.929 -11.127 -12.305
  134    HA   PRO  17           HA       PRO  17  -1.220  -3.902 -10.170
  135    HB2  PRO  17           HB2      PRO  17  -2.262  -5.832 -12.181
  136    HB3  PRO  17           HB3      PRO  17  -2.882  -4.244 -11.719
  137    HG2  PRO  17           HG2      PRO  17  -1.606  -4.585 -14.028
  138    HG3  PRO  17           HG3      PRO  17  -1.370  -3.115 -13.064
  139    HD2  PRO  17           HD2      PRO  17   0.417  -5.492 -13.371
  140    HD3  PRO  17           HD3      PRO  17   0.841  -3.773 -13.241
  141    H    LEU  18           H        LEU  18  -1.587  -4.920  -8.312
  142    HA   LEU  18           HA       LEU  18  -0.936  -7.724  -8.000
  143    HB2  LEU  18           HB2      LEU  18  -1.954  -5.653  -6.054
  144    HB3  LEU  18           HB3      LEU  18  -1.605  -7.313  -5.614
  145    HG   LEU  18           HG       LEU  18   0.400  -5.293  -6.627
  146   HD11  LEU  18          HD11      LEU  18  -0.341  -4.855  -4.346
  147   HD12  LEU  18          HD12      LEU  18   1.321  -5.443  -4.368
  148   HD13  LEU  18          HD13      LEU  18   0.010  -6.526  -3.899
  149   HD21  LEU  18          HD21      LEU  18   0.959  -7.538  -7.372
  150   HD22  LEU  18          HD22      LEU  18   0.768  -8.149  -5.728
  151   HD23  LEU  18          HD23      LEU  18   2.064  -7.014  -6.102
  152    H    SER  19           H        SER  19  -2.416  -9.255  -7.089
  153    HA   SER  19           HA       SER  19  -4.983  -9.189  -8.328
  154    HB2  SER  19           HB2      SER  19  -3.943 -11.150  -6.272
  155    HB3  SER  19           HB3      SER  19  -5.243 -11.414  -7.435
  156    HG   SER  19           HG       SER  19  -3.547 -12.307  -8.423
  157    H    ASP  20           H        ASP  20  -6.895  -8.635  -7.479
  158    HA   ASP  20           HA       ASP  20  -7.079  -7.065  -5.174
  159    HB2  ASP  20           HB2      ASP  20  -8.667  -7.088  -7.137
  160    HB3  ASP  20           HB3      ASP  20  -9.354  -8.563  -6.463
  161    H    LYS  21           H        LYS  21  -7.443 -10.481  -5.687
  162    HA   LYS  21           HA       LYS  21  -8.735 -11.273  -3.355
  163    HB2  LYS  21           HB2      LYS  21  -6.578 -12.659  -4.952
  164    HB3  LYS  21           HB3      LYS  21  -7.490 -13.435  -3.665
  165    HG2  LYS  21           HG2      LYS  21  -8.728 -12.227  -6.130
  166    HG3  LYS  21           HG3      LYS  21  -8.313 -13.933  -5.957
  167    HD2  LYS  21           HD2      LYS  21 -10.158 -12.468  -4.077
  168    HD3  LYS  21           HD3      LYS  21 -10.715 -13.359  -5.494
  169    HE2  LYS  21           HE2      LYS  21  -9.136 -14.530  -3.205
  170    HE3  LYS  21           HE3      LYS  21 -10.876 -14.686  -3.425
  171    HZ1  LYS  21           HZ1      LYS  21  -9.801 -16.649  -4.235
  172    HZ2  LYS  21           HZ2      LYS  21  -8.757 -15.751  -5.219
  173    HZ3  LYS  21           HZ3      LYS  21 -10.419 -15.796  -5.563
  174    H    LEU  22           H        LEU  22  -5.231 -10.836  -3.913
  175    HA   LEU  22           HA       LEU  22  -4.638 -11.377  -1.169
  176    HB2  LEU  22           HB2      LEU  22  -2.348 -10.830  -1.676
  177    HB3  LEU  22           HB3      LEU  22  -2.999 -11.869  -2.923
  178    HG   LEU  22           HG       LEU  22  -3.383  -9.615  -4.207
  179   HD11  LEU  22          HD11      LEU  22  -1.185  -8.867  -2.284
  180   HD12  LEU  22          HD12      LEU  22  -2.785  -8.131  -2.382
  181   HD13  LEU  22          HD13      LEU  22  -1.650  -7.953  -3.720
  182   HD21  LEU  22          HD21      LEU  22  -0.675 -10.887  -3.839
  183   HD22  LEU  22          HD22      LEU  22  -1.129  -9.831  -5.176
  184   HD23  LEU  22          HD23      LEU  22  -1.930 -11.390  -4.972
  185    H    LEU  23           H        LEU  23  -5.359  -8.578  -3.070
  186    HA   LEU  23           HA       LEU  23  -4.296  -6.595  -1.413
  187    HB2  LEU  23           HB2      LEU  23  -6.602  -6.552  -3.343
  188    HB3  LEU  23           HB3      LEU  23  -6.061  -5.120  -2.489
  189    HG   LEU  23           HG       LEU  23  -4.375  -6.751  -4.394
  190   HD11  LEU  23          HD11      LEU  23  -5.685  -4.053  -4.722
  191   HD12  LEU  23          HD12      LEU  23  -6.124  -5.539  -5.565
  192   HD13  LEU  23          HD13      LEU  23  -4.554  -4.787  -5.861
  193   HD21  LEU  23          HD21      LEU  23  -3.056  -5.708  -2.628
  194   HD22  LEU  23          HD22      LEU  23  -3.803  -4.150  -2.977
  195   HD23  LEU  23          HD23      LEU  23  -2.768  -4.920  -4.179
  196    H    ARG  24           H        ARG  24  -7.481  -8.176  -1.337
  197    HA   ARG  24           HA       ARG  24  -8.605  -6.475   0.607
  198    HB2  ARG  24           HB2      ARG  24 -10.362  -8.054   0.812
  199    HB3  ARG  24           HB3      ARG  24  -9.859  -8.073  -0.870
  200    HG2  ARG  24           HG2      ARG  24  -8.588 -10.122  -0.465
  201    HG3  ARG  24           HG3      ARG  24  -9.109 -10.102   1.224
  202    HD2  ARG  24           HD2      ARG  24 -11.486 -10.069   0.312
  203    HD3  ARG  24           HD3      ARG  24 -10.777 -10.490  -1.243
  204    HE   ARG  24           HE       ARG  24  -9.771 -12.329   0.527
  205   HH11  ARG  24          HH11      ARG  24 -12.961 -11.346  -0.544
  206   HH12  ARG  24          HH12      ARG  24 -13.682 -12.898  -0.216
  207   HH21  ARG  24          HH21      ARG  24 -10.701 -14.350   0.958
  208   HH22  ARG  24          HH22      ARG  24 -12.398 -14.608   0.659
  209    H    LYS  25           H        LYS  25  -5.964  -8.268   1.030
  210    HA   LYS  25           HA       LYS  25  -6.527  -8.864   3.856
  211    HB2  LYS  25           HB2      LYS  25  -4.323 -10.003   2.171
  212    HB3  LYS  25           HB3      LYS  25  -4.696 -10.434   3.827
  213    HG2  LYS  25           HG2      LYS  25  -6.887 -11.295   3.077
  214    HG3  LYS  25           HG3      LYS  25  -6.399 -10.975   1.410
  215    HD2  LYS  25           HD2      LYS  25  -4.941 -12.778   3.340
  216    HD3  LYS  25           HD3      LYS  25  -6.028 -13.319   2.064
  217    HE2  LYS  25           HE2      LYS  25  -4.583 -12.412   0.377
  218    HE3  LYS  25           HE3      LYS  25  -3.543 -11.699   1.605
  219    HZ1  LYS  25           HZ1      LYS  25  -2.778 -13.863   0.565
  220    HZ2  LYS  25           HZ2      LYS  25  -4.004 -14.620   1.465
  221    HZ3  LYS  25           HZ3      LYS  25  -2.765 -13.783   2.257
  222    H    VAL  26           H        VAL  26  -5.139  -6.589   1.941
  223    HA   VAL  26           HA       VAL  26  -2.654  -6.208   3.314
  224    HB   VAL  26           HB       VAL  26  -4.185  -4.176   1.670
  225   HG11  VAL  26          HG11      VAL  26  -2.468  -3.200   3.081
  226   HG12  VAL  26          HG12      VAL  26  -1.976  -3.143   1.387
  227   HG13  VAL  26          HG13      VAL  26  -1.287  -4.358   2.469
  228   HG21  VAL  26          HG21      VAL  26  -2.044  -6.118   0.803
  229   HG22  VAL  26          HG22      VAL  26  -2.755  -4.852  -0.198
  230   HG23  VAL  26          HG23      VAL  26  -3.748  -6.198   0.363
  231    H    ILE  27           H        ILE  27  -2.625  -5.704   5.388
  232    HA   ILE  27           HA       ILE  27  -5.021  -4.839   6.664
  233    HB   ILE  27           HB       ILE  27  -3.774  -5.077   8.759
  234   HG12  ILE  27          HG12      ILE  27  -1.406  -5.712   6.980
  235   HG13  ILE  27          HG13      ILE  27  -1.583  -4.261   7.958
  236   HG21  ILE  27          HG21      ILE  27  -4.810  -7.035   7.843
  237   HG22  ILE  27          HG22      ILE  27  -3.241  -7.500   8.502
  238   HG23  ILE  27          HG23      ILE  27  -3.446  -7.314   6.757
  239   HD11  ILE  27          HD11      ILE  27  -1.373  -7.078   8.998
  240   HD12  ILE  27          HD12      ILE  27  -1.570  -5.627   9.982
  241   HD13  ILE  27          HD13      ILE  27  -0.105  -5.852   9.027
  242    H    GLN  28           H        GLN  28  -2.000  -3.284   5.785
  243    HA   GLN  28           HA       GLN  28  -3.195  -0.703   6.367
  244    HB2  GLN  28           HB2      GLN  28  -0.707  -1.698   7.743
  245    HB3  GLN  28           HB3      GLN  28  -0.983   0.016   7.491
  246    HG2  GLN  28           HG2      GLN  28  -2.844  -1.814   8.987
  247    HG3  GLN  28           HG3      GLN  28  -1.628  -0.778   9.735
  248   HE21  GLN  28          HE21      GLN  28  -4.680  -0.885   8.078
  249   HE22  GLN  28          HE22      GLN  28  -5.151   0.747   8.425
  250    H    VAL  29           H        VAL  29  -2.119   1.042   5.327
  251    HA   VAL  29           HA       VAL  29  -0.227   0.211   3.224
  252    HB   VAL  29           HB       VAL  29  -2.227   2.485   3.162
  253   HG11  VAL  29          HG11      VAL  29  -0.269   1.577   1.051
  254   HG12  VAL  29          HG12      VAL  29  -0.185   3.079   1.972
  255   HG13  VAL  29          HG13      VAL  29  -1.512   2.813   0.841
  256   HG21  VAL  29          HG21      VAL  29  -3.319   1.218   1.397
  257   HG22  VAL  29          HG22      VAL  29  -3.249   0.279   2.888
  258   HG23  VAL  29          HG23      VAL  29  -2.133  -0.074   1.568
  259    H    GLU  30           H        GLU  30   1.676   1.288   3.072
  260    HA   GLU  30           HA       GLU  30   2.097   3.536   4.914
  261    HB2  GLU  30           HB2      GLU  30   4.350   2.512   5.406
  262    HB3  GLU  30           HB3      GLU  30   2.965   1.649   6.065
  263    HG2  GLU  30           HG2      GLU  30   3.151   0.294   3.815
  264    HG3  GLU  30           HG3      GLU  30   4.815   0.882   3.870
  265    H    LEU  31           H        LEU  31   3.451   5.123   4.237
  266    HA   LEU  31           HA       LEU  31   4.414   4.917   1.476
  267    HB2  LEU  31           HB2      LEU  31   2.896   6.739   1.752
  268    HB3  LEU  31           HB3      LEU  31   3.724   7.294   3.194
  269    HG   LEU  31           HG       LEU  31   5.674   7.930   1.831
  270   HD11  LEU  31          HD11      LEU  31   3.963   7.139  -0.524
  271   HD12  LEU  31          HD12      LEU  31   5.395   6.279   0.039
  272   HD13  LEU  31          HD13      LEU  31   5.545   7.917  -0.598
  273   HD21  LEU  31          HD21      LEU  31   3.060   9.077   0.859
  274   HD22  LEU  31          HD22      LEU  31   4.643   9.836   0.694
  275   HD23  LEU  31          HD23      LEU  31   3.949   9.584   2.295
  276    H    GLN  32           H        GLN  32   6.444   4.363   1.330
  277    HA   GLN  32           HA       GLN  32   8.417   5.023   3.324
  278    HB2  GLN  32           HB2      GLN  32   8.553   2.918   2.104
  279    HB3  GLN  32           HB3      GLN  32   8.649   3.786   0.579
  280    HG2  GLN  32           HG2      GLN  32  10.791   4.736   1.251
  281    HG3  GLN  32           HG3      GLN  32  10.690   3.875   2.787
  282   HE21  GLN  32          HE21      GLN  32  12.666   3.706   0.665
  283   HE22  GLN  32          HE22      GLN  32  12.702   2.056   0.165
  284    H    GLU  33           H        GLU  33   9.064   7.068   3.465
  285    HA   GLU  33           HA       GLU  33   8.860   8.857   1.223
  286    HB2  GLU  33           HB2      GLU  33   9.891   9.262   4.030
  287    HB3  GLU  33           HB3      GLU  33   9.725  10.548   2.839
  288    HG2  GLU  33           HG2      GLU  33   7.331  10.175   2.739
  289    HG3  GLU  33           HG3      GLU  33   7.475   8.838   3.878
  290    H    ALA  34           H        ALA  34  10.473   9.853   0.118
  291    HA   ALA  34           HA       ALA  34  12.889   8.282  -0.136
  292    HB1  ALA  34           HB1      ALA  34  13.299   9.713  -2.107
  293    HB2  ALA  34           HB2      ALA  34  11.851  10.638  -1.703
  294    HB3  ALA  34           HB3      ALA  34  11.720   8.932  -2.132
  295    H    ASP  35           H        ASP  35  12.345  10.339   2.132
  296    HA   ASP  35           HA       ASP  35  15.060  11.268   2.225
  297    HB2  ASP  35           HB2      ASP  35  14.081  13.057   0.896
  298    HB3  ASP  35           HB3      ASP  35  12.794  13.266   2.080
  299    H    GLY  36           H        GLY  36  11.839  11.704   3.677
  300    HA2  GLY  36           HA2      GLY  36  12.728  12.372   6.252
  301    HA3  GLY  36           HA3      GLY  36  11.148  11.712   5.863
  302    H    ASP  37           H        ASP  37  12.266   9.244   4.744
  303    HA   ASP  37           HA       ASP  37  13.066   7.983   7.280
  304    HB2  ASP  37           HB2      ASP  37  10.726   7.482   6.342
  305    HB3  ASP  37           HB3      ASP  37  11.558   6.587   5.076
  306    H    CYS  38           H        CYS  38  13.009   7.196   3.809
  307    HA   CYS  38           HA       CYS  38  15.706   6.049   4.113
  308    HB2  CYS  38           HB2      CYS  38  13.613   5.358   2.051
  309    HB3  CYS  38           HB3      CYS  38  15.130   4.514   2.339
  310    H    HIS  39           H        HIS  39  16.497   5.808   1.525
  311    HA   HIS  39           HA       HIS  39  16.683   8.606   0.684
  312    HB2  HIS  39           HB2      HIS  39  18.670   8.075  -0.434
  313    HB3  HIS  39           HB3      HIS  39  18.726   7.062   1.002
  314    HD1  HIS  39           HD1      HIS  39  18.712   6.939  -2.684
  315    HD2  HIS  39           HD2      HIS  39  18.297   4.268   0.475
  316    HE1  HIS  39           HE1      HIS  39  18.986   4.653  -3.692
  317    HE2  HIS  39           HE2      HIS  39  18.970   3.074  -1.724
  318    H    LEU  40           H        LEU  40  14.771   6.002  -0.053
  319    HA   LEU  40           HA       LEU  40  14.191   7.105  -2.703
  320    HB2  LEU  40           HB2      LEU  40  14.045   4.959  -3.737
  321    HB3  LEU  40           HB3      LEU  40  15.610   5.070  -2.958
  322    HG   LEU  40           HG       LEU  40  14.200   3.835  -1.007
  323   HD11  LEU  40          HD11      LEU  40  13.037   2.875  -3.618
  324   HD12  LEU  40          HD12      LEU  40  12.163   3.707  -2.331
  325   HD13  LEU  40          HD13      LEU  40  12.824   2.096  -2.050
  326   HD21  LEU  40          HD21      LEU  40  15.252   1.774  -1.768
  327   HD22  LEU  40          HD22      LEU  40  16.357   3.140  -1.929
  328   HD23  LEU  40          HD23      LEU  40  15.538   2.495  -3.351
  329    H    GLN  41           H        GLN  41  12.023   6.676  -3.451
  330    HA   GLN  41           HA       GLN  41  10.177   6.560  -1.175
  331    HB2  GLN  41           HB2      GLN  41  10.165   8.566  -2.665
  332    HB3  GLN  41           HB3      GLN  41   9.675   7.532  -3.997
  333    HG2  GLN  41           HG2      GLN  41   7.632   6.949  -2.741
  334    HG3  GLN  41           HG3      GLN  41   8.119   8.084  -1.482
  335   HE21  GLN  41          HE21      GLN  41   6.342   9.390  -1.746
  336   HE22  GLN  41          HE22      GLN  41   6.119  10.396  -3.130
  337    H    ALA  42           H        ALA  42   8.568   5.079  -1.028
  338    HA   ALA  42           HA       ALA  42   7.892   3.404  -3.302
  339    HB1  ALA  42           HB1      ALA  42   8.309   1.299  -2.123
  340    HB2  ALA  42           HB2      ALA  42   9.013   2.193  -0.774
  341    HB3  ALA  42           HB3      ALA  42   9.802   2.212  -2.352
  342    H    PHE  43           H        PHE  43   5.860   2.587  -3.191
  343    HA   PHE  43           HA       PHE  43   4.317   3.146  -0.753
  344    HB2  PHE  43           HB2      PHE  43   3.516   2.653  -3.614
  345    HB3  PHE  43           HB3      PHE  43   2.356   2.532  -2.298
  346    HD1  PHE  43           HD2      PHE  43   1.629   4.484  -1.096
  347    HD2  PHE  43           HD1      PHE  43   4.413   4.785  -4.297
  348    HE1  PHE  43           HE2      PHE  43   1.237   6.912  -1.203
  349    HE2  PHE  43           HE1      PHE  43   4.025   7.214  -4.417
  350    HZ   PHE  43           HZ       PHE  43   2.433   8.280  -2.869
  351    H    VAL  44           H        VAL  44   4.553   1.461   0.588
  352    HA   VAL  44           HA       VAL  44   4.720  -1.208  -0.608
  353    HB   VAL  44           HB       VAL  44   5.497  -0.377   2.192
  354   HG11  VAL  44          HG11      VAL  44   6.757  -2.496   2.198
  355   HG12  VAL  44          HG12      VAL  44   6.087  -2.885   0.615
  356   HG13  VAL  44          HG13      VAL  44   5.023  -2.755   2.015
  357   HG21  VAL  44          HG21      VAL  44   7.811  -0.433   1.362
  358   HG22  VAL  44          HG22      VAL  44   6.844   0.798   0.546
  359   HG23  VAL  44          HG23      VAL  44   7.205  -0.721  -0.272
  360    H    LEU  45           H        LEU  45   3.132  -2.588  -0.392
  361    HA   LEU  45           HA       LEU  45   0.880  -1.869   1.319
  362    HB2  LEU  45           HB2      LEU  45   1.095  -3.939  -0.870
  363    HB3  LEU  45           HB3      LEU  45  -0.371  -3.525   0.003
  364    HG   LEU  45           HG       LEU  45   1.184  -1.724  -1.854
  365   HD11  LEU  45          HD11      LEU  45  -0.863  -1.766  -3.195
  366   HD12  LEU  45          HD12      LEU  45  -1.563  -2.936  -2.075
  367   HD13  LEU  45          HD13      LEU  45  -0.144  -3.366  -3.028
  368   HD21  LEU  45          HD21      LEU  45   0.297  -0.469   0.048
  369   HD22  LEU  45          HD22      LEU  45  -1.310  -1.124  -0.270
  370   HD23  LEU  45          HD23      LEU  45  -0.541  -0.059  -1.449
  371    H    HIS  46           H        HIS  46   0.668  -2.783   3.211
  372    HA   HIS  46           HA       HIS  46   2.480  -5.016   3.814
  373    HB2  HIS  46           HB2      HIS  46   2.248  -2.580   5.019
  374    HB3  HIS  46           HB3      HIS  46   1.214  -3.566   6.047
  375    HD1  HIS  46           HD1      HIS  46   4.620  -2.532   5.687
  376    HD2  HIS  46           HD2      HIS  46   2.713  -6.010   6.967
  377    HE1  HIS  46           HE1      HIS  46   6.336  -3.806   6.998
  378    HE2  HIS  46           HE2      HIS  46   5.230  -5.983   7.591
  379    H    LEU  47           H        LEU  47   1.508  -6.929   3.782
  380    HA   LEU  47           HA       LEU  47  -1.211  -7.174   4.862
  381    HB2  LEU  47           HB2      LEU  47   0.476  -9.174   3.350
  382    HB3  LEU  47           HB3      LEU  47  -1.132  -9.487   3.964
  383    HG   LEU  47           HG       LEU  47  -1.847  -7.501   2.454
  384   HD11  LEU  47          HD11      LEU  47  -0.467  -7.238   0.455
  385   HD12  LEU  47          HD12      LEU  47   0.772  -8.267   1.175
  386   HD13  LEU  47          HD13      LEU  47   0.384  -6.709   1.908
  387   HD21  LEU  47          HD21      LEU  47  -0.966 -10.135   1.276
  388   HD22  LEU  47          HD22      LEU  47  -2.151  -9.032   0.577
  389   HD23  LEU  47          HD23      LEU  47  -2.492  -9.837   2.110
  390    H    ALA  48           H        ALA  48  -1.556  -9.227   6.172
  391    HA   ALA  48           HA       ALA  48   0.165  -9.013   8.457
  392    HB1  ALA  48           HB1      ALA  48  -2.145 -10.887   7.948
  393    HB2  ALA  48           HB2      ALA  48  -2.247  -9.300   8.711
  394    HB3  ALA  48           HB3      ALA  48  -1.364 -10.603   9.505
  395    H    GLN  49           H        GLN  49   0.260 -10.864   5.652
  396    HA   GLN  49           HA       GLN  49   1.863 -12.949   6.970
  397    HB2  GLN  49           HB2      GLN  49   0.894 -13.261   4.161
  398    HB3  GLN  49           HB3      GLN  49   1.244 -14.492   5.358
  399    HG2  GLN  49           HG2      GLN  49  -1.009 -14.668   5.296
  400    HG3  GLN  49           HG3      GLN  49  -0.870 -13.427   6.541
  401   HE21  GLN  49          HE21      GLN  49  -1.690 -11.422   6.151
  402   HE22  GLN  49          HE22      GLN  49  -2.499 -10.976   4.687
  403    H    ARG  50           H        ARG  50   1.961 -10.300   4.794
  404    HA   ARG  50           HA       ARG  50   4.668 -10.771   3.993
  405    HB2  ARG  50           HB2      ARG  50   4.153 -11.032   1.567
  406    HB3  ARG  50           HB3      ARG  50   3.623 -12.401   2.538
  407    HG2  ARG  50           HG2      ARG  50   1.347 -11.170   2.597
  408    HG3  ARG  50           HG3      ARG  50   1.986 -10.277   1.218
  409    HD2  ARG  50           HD2      ARG  50   1.793 -13.278   1.391
  410    HD3  ARG  50           HD3      ARG  50   0.620 -12.239   0.588
  411    HE   ARG  50           HE       ARG  50   2.455 -11.581  -0.934
  412   HH11  ARG  50          HH11      ARG  50   2.784 -14.545   0.892
  413   HH12  ARG  50          HH12      ARG  50   3.793 -15.321  -0.294
  414   HH21  ARG  50          HH21      ARG  50   3.809 -12.563  -2.485
  415   HH22  ARG  50          HH22      ARG  50   4.422 -14.165  -2.201
  416    H    SER  51           H        SER  51   5.305  -9.132   2.234
  417    HA   SER  51           HA       SER  51   3.553  -6.783   2.207
  418    HB2  SER  51           HB2      SER  51   6.483  -6.634   2.968
  419    HB3  SER  51           HB3      SER  51   5.345  -5.288   2.884
  420    HG   SER  51           HG       SER  51   4.825  -7.494   4.553
  421    H    ILE  52           H        ILE  52   3.434  -5.932   0.245
  422    HA   ILE  52           HA       ILE  52   5.513  -6.654  -1.705
  423    HB   ILE  52           HB       ILE  52   2.660  -5.762  -2.181
  424   HG12  ILE  52          HG12      ILE  52   2.701  -8.058  -3.435
  425   HG13  ILE  52          HG13      ILE  52   4.087  -8.395  -2.405
  426   HG21  ILE  52          HG21      ILE  52   3.136  -6.129  -4.577
  427   HG22  ILE  52          HG22      ILE  52   4.840  -6.361  -4.177
  428   HG23  ILE  52          HG23      ILE  52   4.070  -4.801  -3.884
  429   HD11  ILE  52          HD11      ILE  52   2.071  -9.314  -1.450
  430   HD12  ILE  52          HD12      ILE  52   1.301  -7.726  -1.484
  431   HD13  ILE  52          HD13      ILE  52   2.687  -8.014  -0.430
  432    H    CYS  53           H        CYS  53   6.731  -5.068  -2.598
  433    HA   CYS  53           HA       CYS  53   6.211  -2.354  -1.627
  434    HB2  CYS  53           HB2      CYS  53   8.741  -3.403  -2.893
  435    HB3  CYS  53           HB3      CYS  53   8.538  -1.914  -1.978
  436    H    ILE  54           H        ILE  54   5.415  -0.931  -2.975
  437    HA   ILE  54           HA       ILE  54   5.540  -1.500  -5.847
  438    HB   ILE  54           HB       ILE  54   3.480  -0.379  -4.060
  439   HG12  ILE  54          HG12      ILE  54   3.442  -1.927  -6.655
  440   HG13  ILE  54          HG13      ILE  54   3.204  -2.568  -5.033
  441   HG21  ILE  54          HG21      ILE  54   3.952   1.605  -5.342
  442   HG22  ILE  54          HG22      ILE  54   2.391   0.929  -5.815
  443   HG23  ILE  54          HG23      ILE  54   3.801   0.701  -6.850
  444   HD11  ILE  54          HD11      ILE  54   1.096  -2.386  -6.200
  445   HD12  ILE  54          HD12      ILE  54   1.379  -0.667  -6.482
  446   HD13  ILE  54          HD13      ILE  54   1.138  -1.265  -4.838
  447    H    HIS  55           H        HIS  55   6.712  -0.227  -7.101
  448    HA   HIS  55           HA       HIS  55   7.937   2.187  -6.242
  449    HB2  HIS  55           HB2      HIS  55   8.987   0.999  -8.041
  450    HB3  HIS  55           HB3      HIS  55   7.492   0.958  -8.974
  451    HD1  HIS  55           HD1      HIS  55   7.194   2.773 -10.660
  452    HD2  HIS  55           HD2      HIS  55  10.112   3.711  -7.857
  453    HE1  HIS  55           HE1      HIS  55   8.152   4.963 -11.400
  454    HE2  HIS  55           HE2      HIS  55   9.752   5.614  -9.575
  455    HA   PRO  56           HA       PRO  56   4.407   4.933  -6.464
  456    HB2  PRO  56           HB2      PRO  56   6.554   6.833  -7.310
  457    HB3  PRO  56           HB3      PRO  56   5.288   7.038  -6.094
  458    HG2  PRO  56           HG2      PRO  56   7.794   6.528  -5.363
  459    HG3  PRO  56           HG3      PRO  56   6.430   5.792  -4.503
  460    HD2  PRO  56           HD2      PRO  56   8.328   4.569  -6.445
  461    HD3  PRO  56           HD3      PRO  56   7.514   3.841  -5.046
  462    H    GLN  57           H        GLN  57   3.157   5.864  -8.074
  463    HA   GLN  57           HA       GLN  57   2.373   6.331 -10.160
  464    HB2  GLN  57           HB2      GLN  57   5.203   5.852 -11.110
  465    HB3  GLN  57           HB3      GLN  57   3.886   6.433 -12.122
  466    HG2  GLN  57           HG2      GLN  57   3.717   8.452 -10.829
  467    HG3  GLN  57           HG3      GLN  57   4.906   7.857  -9.673
  468   HE21  GLN  57          HE21      GLN  57   7.080   7.833 -10.234
  469   HE22  GLN  57          HE22      GLN  57   7.691   8.727 -11.591
  470    H    ASN  58           H        ASN  58   2.828   3.639  -8.854
  471    HA   ASN  58           HA       ASN  58   2.495   1.871 -11.163
  472    HB2  ASN  58           HB2      ASN  58   3.908   1.170  -9.198
  473    HB3  ASN  58           HB3      ASN  58   2.446   1.159  -8.222
  474   HD21  ASN  58          HD21      ASN  58   1.035  -0.524  -8.394
  475   HD22  ASN  58          HD22      ASN  58   1.349  -1.938  -9.338
  476    HA   PRO  59           HA       PRO  59  -1.850   2.679 -11.268
  477    HB2  PRO  59           HB2      PRO  59  -1.909  -0.108 -12.327
  478    HB3  PRO  59           HB3      PRO  59  -2.626   1.363 -12.992
  479    HG2  PRO  59           HG2      PRO  59  -0.404   0.330 -14.039
  480    HG3  PRO  59           HG3      PRO  59  -0.625   2.084 -13.906
  481    HD2  PRO  59           HD2      PRO  59   1.085   0.260 -12.293
  482    HD3  PRO  59           HD3      PRO  59   1.351   1.954 -12.746
  483    H    SER  60           H        SER  60  -0.669  -0.427 -10.055
  484    HA   SER  60           HA       SER  60  -3.081  -1.304  -8.911
  485    HB2  SER  60           HB2      SER  60  -1.062  -2.718  -9.408
  486    HB3  SER  60           HB3      SER  60  -0.296  -2.022  -7.986
  487    HG   SER  60           HG       SER  60  -2.380  -2.796  -6.922
  488    H    LEU  61           H        LEU  61  -0.750   1.012  -7.797
  489    HA   LEU  61           HA       LEU  61  -1.514   0.788  -5.019
  490    HB2  LEU  61           HB2      LEU  61   0.746   1.610  -6.088
  491    HB3  LEU  61           HB3      LEU  61  -0.073   3.156  -6.154
  492    HG   LEU  61           HG       LEU  61   1.378   2.903  -4.166
  493   HD11  LEU  61          HD11      LEU  61  -1.551   3.106  -3.520
  494   HD12  LEU  61          HD12      LEU  61  -0.518   4.422  -4.079
  495   HD13  LEU  61          HD13      LEU  61  -0.222   3.672  -2.509
  496   HD21  LEU  61          HD21      LEU  61   1.110   0.511  -3.822
  497   HD22  LEU  61          HD22      LEU  61  -0.578   0.754  -3.373
  498   HD23  LEU  61          HD23      LEU  61   0.710   1.410  -2.357
  499    H    SER  62           H        SER  62  -2.000   3.095  -7.663
  500    HA   SER  62           HA       SER  62  -3.689   4.899  -6.351
  501    HB2  SER  62           HB2      SER  62  -2.599   5.198  -8.613
  502    HB3  SER  62           HB3      SER  62  -3.814   4.109  -9.276
  503    HG   SER  62           HG       SER  62  -4.242   6.437  -9.426
  504    H    GLN  63           H        GLN  63  -4.441   2.079  -8.365
  505    HA   GLN  63           HA       GLN  63  -7.209   2.081  -8.032
  506    HB2  GLN  63           HB2      GLN  63  -5.326  -0.240  -8.498
  507    HB3  GLN  63           HB3      GLN  63  -7.076  -0.340  -8.622
  508    HG2  GLN  63           HG2      GLN  63  -7.077   1.230 -10.455
  509    HG3  GLN  63           HG3      GLN  63  -5.339   1.468 -10.287
  510   HE21  GLN  63          HE21      GLN  63  -6.887  -1.661  -9.986
  511   HE22  GLN  63          HE22      GLN  63  -6.238  -2.332 -11.435
  512    H    TRP  64           H        TRP  64  -4.638   0.773  -5.985
  513    HA   TRP  64           HA       TRP  64  -6.364  -0.741  -4.345
  514    HB2  TRP  64           HB2      TRP  64  -3.965  -1.223  -4.378
  515    HB3  TRP  64           HB3      TRP  64  -3.629   0.363  -3.685
  516    HD1  TRP  64           HD1      TRP  64  -2.782  -0.152  -1.286
  517    HE1  TRP  64           HE1      TRP  64  -3.702  -1.468   0.720
  518    HE3  TRP  64           HE3      TRP  64  -6.832  -2.365  -3.514
  519    HZ2  TRP  64           HZ2      TRP  64  -5.842  -3.198   1.287
  520    HZ3  TRP  64           HZ3      TRP  64  -8.255  -3.825  -2.164
  521    HH2  TRP  64           HH2      TRP  64  -7.767  -4.238   0.185
  522    H    PHE  65           H        PHE  65  -5.189   2.583  -4.099
  523    HA   PHE  65           HA       PHE  65  -6.178   3.078  -1.532
  524    HB2  PHE  65           HB2      PHE  65  -5.276   4.708  -3.786
  525    HB3  PHE  65           HB3      PHE  65  -6.475   5.502  -2.769
  526    HD1  PHE  65           HD1      PHE  65  -3.355   3.483  -2.430
  527    HD2  PHE  65           HD2      PHE  65  -5.735   6.685  -0.955
  528    HE1  PHE  65           HE1      PHE  65  -1.608   4.017  -0.780
  529    HE2  PHE  65           HE2      PHE  65  -3.993   7.228   0.694
  530    HZ   PHE  65           HZ       PHE  65  -1.926   5.894   0.783
  531    H    GLU  66           H        GLU  66  -7.797   3.140  -4.658
  532    HA   GLU  66           HA       GLU  66 -10.274   4.067  -3.518
  533    HB2  GLU  66           HB2      GLU  66  -9.750   2.797  -6.213
  534    HB3  GLU  66           HB3      GLU  66 -11.224   3.629  -5.732
  535    HG2  GLU  66           HG2      GLU  66  -9.903   5.694  -5.414
  536    HG3  GLU  66           HG3      GLU  66  -8.487   4.846  -6.036
  537    H    HIS  67           H        HIS  67  -8.924   0.960  -4.542
  538    HA   HIS  67           HA       HIS  67 -11.230  -0.589  -4.130
  539    HB2  HIS  67           HB2      HIS  67  -8.307  -1.250  -4.193
  540    HB3  HIS  67           HB3      HIS  67  -9.477  -2.478  -3.725
  541    HD1  HIS  67           HD1      HIS  67  -9.456  -3.993  -5.728
  542    HD2  HIS  67           HD2      HIS  67  -9.908   0.026  -6.748
  543    HE1  HIS  67           HE1      HIS  67  -9.861  -3.951  -8.213
  544    HE2  HIS  67           HE2      HIS  67 -10.042  -1.510  -8.823
  545    H    GLN  68           H        GLN  68  -8.535   0.156  -1.911
  546    HA   GLN  68           HA       GLN  68  -9.544  -1.425   0.215
  547    HB2  GLN  68           HB2      GLN  68  -7.921  -0.340   1.624
  548    HB3  GLN  68           HB3      GLN  68  -7.180  -0.673   0.066
  549    HG2  GLN  68           HG2      GLN  68  -7.422   1.636  -0.588
  550    HG3  GLN  68           HG3      GLN  68  -8.291   1.996   0.902
  551   HE21  GLN  68          HE21      GLN  68  -5.821   3.130  -0.155
  552   HE22  GLN  68          HE22      GLN  68  -4.621   2.874   1.058
  553    H    GLU  69           H        GLU  69 -10.228   1.787  -0.902
  554    HA   GLU  69           HA       GLU  69 -11.447   2.836   1.407
  555    HB2  GLU  69           HB2      GLU  69 -10.931   4.139  -0.662
  556    HB3  GLU  69           HB3      GLU  69 -12.269   3.329  -1.465
  557    HG2  GLU  69           HG2      GLU  69 -12.960   5.515  -0.750
  558    HG3  GLU  69           HG3      GLU  69 -13.815   4.289   0.186
  559    H    ARG  70           H        ARG  70 -12.572   0.617  -1.051
  560    HA   ARG  70           HA       ARG  70 -15.063   0.275   0.481
  561    HB2  ARG  70           HB2      ARG  70 -16.052  -0.608  -1.608
  562    HB3  ARG  70           HB3      ARG  70 -15.532   1.064  -1.748
  563    HG2  ARG  70           HG2      ARG  70 -13.397   0.133  -2.784
  564    HG3  ARG  70           HG3      ARG  70 -14.278  -1.390  -2.926
  565    HD2  ARG  70           HD2      ARG  70 -16.054  -0.188  -4.169
  566    HD3  ARG  70           HD3      ARG  70 -15.065   1.268  -4.109
  567    HE   ARG  70           HE       ARG  70 -14.396  -1.201  -5.575
  568   HH11  ARG  70          HH11      ARG  70 -13.952   2.247  -5.017
  569   HH12  ARG  70          HH12      ARG  70 -13.016   2.472  -6.465
  570   HH21  ARG  70          HH21      ARG  70 -13.139  -0.868  -7.466
  571   HH22  ARG  70          HH22      ARG  70 -12.569   0.737  -7.841
  572    H    LYS  71           H        LYS  71 -12.535  -0.939   1.133
  573    HA   LYS  71           HA       LYS  71 -13.342  -3.747   1.072
  574    HB2  LYS  71           HB2      LYS  71 -11.590  -2.953  -0.808
  575    HB3  LYS  71           HB3      LYS  71 -10.467  -3.225   0.512
  576    HG2  LYS  71           HG2      LYS  71 -11.162  -5.524   0.692
  577    HG3  LYS  71           HG3      LYS  71 -12.415  -5.273  -0.524
  578    HD2  LYS  71           HD2      LYS  71  -9.464  -4.908  -1.014
  579    HD3  LYS  71           HD3      LYS  71 -10.359  -6.378  -1.400
  580    HE2  LYS  71           HE2      LYS  71 -11.191  -3.701  -2.473
  581    HE3  LYS  71           HE3      LYS  71  -9.964  -4.672  -3.275
  582    HZ1  LYS  71           HZ1      LYS  71 -11.480  -6.332  -3.772
  583    HZ2  LYS  71           HZ2      LYS  71 -12.373  -4.910  -4.028
  584    HZ3  LYS  71           HZ3      LYS  71 -12.607  -5.812  -2.614
  585    H    LEU  72           H        LEU  72 -10.958  -4.772   2.287
  586    HA   LEU  72           HA       LEU  72 -10.213  -5.142   4.404
  587    HB2  LEU  72           HB2      LEU  72  -9.976  -2.199   4.059
  588    HB3  LEU  72           HB3      LEU  72  -9.701  -2.866   5.656
  589    HG   LEU  72           HG       LEU  72  -7.834  -4.140   4.898
  590   HD11  LEU  72          HD11      LEU  72  -7.110  -4.195   2.577
  591   HD12  LEU  72          HD12      LEU  72  -8.511  -3.236   2.103
  592   HD13  LEU  72          HD13      LEU  72  -8.732  -4.865   2.742
  593   HD21  LEU  72          HD21      LEU  72  -7.389  -1.807   5.363
  594   HD22  LEU  72          HD22      LEU  72  -7.787  -1.377   3.700
  595   HD23  LEU  72          HD23      LEU  72  -6.367  -2.367   4.038
  596    H    HIS  73           H        HIS  73 -11.850  -2.128   5.207
  597    HA   HIS  73           HA       HIS  73 -13.995  -3.208   6.678
  598    HB2  HIS  73           HB2      HIS  73 -12.148  -4.095   8.095
  599    HB3  HIS  73           HB3      HIS  73 -11.563  -2.455   8.330
  600    HD1  HIS  73           HD1      HIS  73 -14.066  -4.892   9.562
  601    HD2  HIS  73           HD2      HIS  73 -13.202  -0.848  10.041
  602    HE1  HIS  73           HE1      HIS  73 -15.353  -4.155  11.596
  603    HE2  HIS  73           HE2      HIS  73 -14.904  -1.685  11.806
  604    H    GLY  74           H        GLY  74 -11.697  -0.697   6.017
  605    HA2  GLY  74           HA2      GLY  74 -12.530   1.541   5.530
  606    HA3  GLY  74           HA3      GLY  74 -13.674   1.331   6.851
  607    H    THR  75           H        THR  75 -11.136  -0.099   8.067
  608    HA   THR  75           HA       THR  75 -10.328   2.143   9.659
  609    HB   THR  75           HB       THR  75  -8.701   0.293  10.549
  610    HG1  THR  75           HG1      THR  75  -8.902  -1.508   9.461
  611   HG21  THR  75          HG21      THR  75 -10.579   1.176  11.822
  612   HG22  THR  75          HG22      THR  75 -10.504  -0.577  11.994
  613   HG23  THR  75          HG23      THR  75 -11.697   0.153  10.920
  614    H    LEU  76           H        LEU  76  -8.954   3.562   8.818
  615    HA   LEU  76           HA       LEU  76  -6.596   2.578   7.398
  616    HB2  LEU  76           HB2      LEU  76  -8.490   4.750   6.513
  617    HB3  LEU  76           HB3      LEU  76  -6.868   4.580   5.866
  618    HG   LEU  76           HG       LEU  76  -9.035   2.486   5.684
  619   HD11  LEU  76          HD11      LEU  76  -7.923   4.332   3.573
  620   HD12  LEU  76          HD12      LEU  76  -9.518   4.456   4.314
  621   HD13  LEU  76          HD13      LEU  76  -9.117   3.057   3.319
  622   HD21  LEU  76          HD21      LEU  76  -6.767   1.566   5.775
  623   HD22  LEU  76          HD22      LEU  76  -6.291   2.613   4.438
  624   HD23  LEU  76          HD23      LEU  76  -7.495   1.349   4.183
  625    HA   PRO  77           HA       PRO  77  -4.576   5.532   9.958
  626    HB2  PRO  77           HB2      PRO  77  -2.201   5.624   8.822
  627    HB3  PRO  77           HB3      PRO  77  -2.857   4.067   9.356
  628    HG2  PRO  77           HG2      PRO  77  -2.842   5.234   6.591
  629    HG3  PRO  77           HG3      PRO  77  -2.340   3.613   7.117
  630    HD2  PRO  77           HD2      PRO  77  -4.831   4.202   6.114
  631    HD3  PRO  77           HD3      PRO  77  -4.495   2.846   7.210
  632    H    LYS  78           H        LYS  78  -2.691   7.434   9.254
  633    HA   LYS  78           HA       LYS  78  -4.330   9.504   8.106
  634    HB2  LYS  78           HB2      LYS  78  -1.551   9.442   9.247
  635    HB3  LYS  78           HB3      LYS  78  -2.126  10.848   8.365
  636    HG2  LYS  78           HG2      LYS  78  -2.427  11.229  10.703
  637    HG3  LYS  78           HG3      LYS  78  -4.013  11.025   9.960
  638    HD2  LYS  78           HD2      LYS  78  -4.039   8.680  10.732
  639    HD3  LYS  78           HD3      LYS  78  -2.489   8.944  11.530
  640    HE2  LYS  78           HE2      LYS  78  -5.045  10.427  12.128
  641    HE3  LYS  78           HE3      LYS  78  -4.375   9.115  13.094
  642    HZ1  LYS  78           HZ1      LYS  78  -3.015  11.705  12.574
  643    HZ2  LYS  78           HZ2      LYS  78  -2.457  10.459  13.579
  644    HZ3  LYS  78           HZ3      LYS  78  -3.859  11.322  13.993
  645    H    LEU  79           H        LEU  79  -4.666   8.644   6.038
  646    HA   LEU  79           HA       LEU  79  -2.389   8.236   4.299
  647    HB2  LEU  79           HB2      LEU  79  -5.362   8.038   3.839
  648    HB3  LEU  79           HB3      LEU  79  -4.168   7.754   2.589
  649    HG   LEU  79           HG       LEU  79  -4.435   6.157   5.135
  650   HD11  LEU  79          HD11      LEU  79  -5.223   4.366   3.660
  651   HD12  LEU  79          HD12      LEU  79  -5.171   5.477   2.291
  652   HD13  LEU  79          HD13      LEU  79  -6.298   5.764   3.618
  653   HD21  LEU  79          HD21      LEU  79  -2.684   5.737   2.718
  654   HD22  LEU  79          HD22      LEU  79  -2.806   4.665   4.116
  655   HD23  LEU  79          HD23      LEU  79  -2.136   6.286   4.303
  656    H    ASN  80           H        ASN  80  -1.437   9.825   3.382
  657    HA   ASN  80           HA       ASN  80  -2.733  12.356   2.869
  658    HB2  ASN  80           HB2      ASN  80  -0.479  13.004   1.992
  659    HB3  ASN  80           HB3      ASN  80  -0.438  12.406   3.646
  660   HD21  ASN  80          HD21      ASN  80   1.648  12.537   1.585
  661   HD22  ASN  80          HD22      ASN  80   2.226  10.916   1.414
  662    H    PHE  81           H        PHE  81  -4.219  10.754   1.500
  663    HA   PHE  81           HA       PHE  81  -3.195  10.044  -1.082
  664    HB2  PHE  81           HB2      PHE  81  -5.635   9.501  -1.549
  665    HB3  PHE  81           HB3      PHE  81  -4.851   8.598  -0.261
  666    HD1  PHE  81           HD1      PHE  81  -7.104  11.482  -0.900
  667    HD2  PHE  81           HD2      PHE  81  -5.761   8.545   1.879
  668    HE1  PHE  81           HE1      PHE  81  -8.914  12.115   0.640
  669    HE2  PHE  81           HE2      PHE  81  -7.569   9.180   3.425
  670    HZ   PHE  81           HZ       PHE  81  -9.148  10.964   2.805
  671    H    GLY  82           H        GLY  82  -3.825  12.993   0.071
  672    HA2  GLY  82           HA2      GLY  82  -5.408  14.138  -2.022
  673    HA3  GLY  82           HA3      GLY  82  -4.408  15.017  -0.870
  674    H    MET  83           H        MET  83  -2.235  13.001  -1.875
  675    HA   MET  83           HA       MET  83  -1.473  14.600  -4.218
  676    HB2  MET  83           HB2      MET  83   0.847  13.805  -3.762
  677    HB3  MET  83           HB3      MET  83   0.163  14.783  -2.474
  678    HG2  MET  83           HG2      MET  83   1.332  13.028  -1.437
  679    HG3  MET  83           HG3      MET  83  -0.377  12.647  -1.274
  680    HE1  MET  83           HE1      MET  83   1.811  10.438  -0.714
  681    HE2  MET  83           HE2      MET  83   1.102   9.069  -1.570
  682    HE3  MET  83           HE3      MET  83   0.070  10.164  -0.649
  683    H    LEU  84           H        LEU  84  -2.998  11.832  -3.643
  684    HA   LEU  84           HA       LEU  84  -1.647  10.417  -5.843
  685    HB2  LEU  84           HB2      LEU  84  -1.257   9.318  -3.665
  686    HB3  LEU  84           HB3      LEU  84  -2.993   9.143  -3.464
  687    HG   LEU  84           HG       LEU  84  -2.748   7.942  -5.836
  688   HD11  LEU  84          HD11      LEU  84  -0.095   7.459  -4.500
  689   HD12  LEU  84          HD12      LEU  84  -0.368   8.281  -6.037
  690   HD13  LEU  84          HD13      LEU  84  -0.729   6.563  -5.880
  691   HD21  LEU  84          HD21      LEU  84  -2.236   6.683  -3.152
  692   HD22  LEU  84          HD22      LEU  84  -2.647   5.801  -4.623
  693   HD23  LEU  84          HD23      LEU  84  -3.799   6.943  -3.930
  694    H    ARG  85           H        ARG  85  -4.757  10.730  -4.101
  695    HA   ARG  85           HA       ARG  85  -6.150   9.168  -6.019
  696    HB2  ARG  85           HB2      ARG  85  -7.050  10.928  -3.759
  697    HB3  ARG  85           HB3      ARG  85  -8.214  10.247  -4.885
  698    HG2  ARG  85           HG2      ARG  85  -7.345   7.989  -4.323
  699    HG3  ARG  85           HG3      ARG  85  -6.337   8.741  -3.084
  700    HD2  ARG  85           HD2      ARG  85  -8.290   9.577  -1.939
  701    HD3  ARG  85           HD3      ARG  85  -9.340   8.980  -3.222
  702    HE   ARG  85           HE       ARG  85  -7.942   6.793  -2.265
  703   HH11  ARG  85          HH11      ARG  85 -10.256   9.123  -1.017
  704   HH12  ARG  85          HH12      ARG  85 -10.926   8.005   0.142
  705   HH21  ARG  85          HH21      ARG  85  -8.853   5.340  -0.720
  706   HH22  ARG  85          HH22      ARG  85 -10.129   5.907   0.327
  707    H    LYS  86           H        LYS  86  -6.735   9.669  -7.940
  708    HA   LYS  86           HA       LYS  86  -7.417  10.791  -9.782
  709    HB2  LYS  86           HB2      LYS  86  -8.154  13.050  -7.906
  710    HB3  LYS  86           HB3      LYS  86  -8.675  12.877  -9.578
  711    HG2  LYS  86           HG2      LYS  86  -9.402  11.101  -7.257
  712    HG3  LYS  86           HG3      LYS  86 -10.466  12.200  -8.135
  713    HD2  LYS  86           HD2      LYS  86 -10.322  10.860 -10.118
  714    HD3  LYS  86           HD3      LYS  86  -9.064   9.849  -9.402
  715    HE2  LYS  86           HE2      LYS  86 -10.680   9.097  -7.695
  716    HE3  LYS  86           HE3      LYS  86 -11.931  10.059  -8.483
  717    HZ1  LYS  86           HZ1      LYS  86 -11.735   8.716 -10.446
  718    HZ2  LYS  86           HZ2      LYS  86 -11.982   7.694  -9.111
  719    HZ3  LYS  86           HZ3      LYS  86 -10.431   7.851  -9.784
  720    H    MET  87           H        MET  87  -4.837  11.299  -8.148
  721    HA   MET  87           HA       MET  87  -3.777  13.527  -9.727
  722    HB2  MET  87           HB2      MET  87  -3.299  13.492  -7.303
  723    HB3  MET  87           HB3      MET  87  -2.551  11.911  -7.475
  724    HG2  MET  87           HG2      MET  87  -0.804  13.489  -7.346
  725    HG3  MET  87           HG3      MET  87  -0.899  12.984  -9.034
  726    HE1  MET  87           HE1      MET  87  -3.326  15.413  -7.138
  727    HE2  MET  87           HE2      MET  87  -2.572  16.976  -7.449
  728    HE3  MET  87           HE3      MET  87  -1.751  15.786  -6.437
  729    H    GLY  88           H        GLY  88  -3.673  10.117  -9.215
  730    HA2  GLY  88           HA2      GLY  88  -2.327   9.748 -11.775
  731    HA3  GLY  88           HA3      GLY  88  -1.601   8.994 -10.359
  Start of MODEL    5
    1    H1   PHE   1           HT1      PHE   1  14.423 -12.661   2.461
    2    H2   PHE   1           HT2      PHE   1  14.841 -12.572   4.104
    3    H3   PHE   1           HT3      PHE   1  15.992 -12.211   2.916
    4    HA   PHE   1           HA       PHE   1  15.076 -10.238   4.026
    5    HB2  PHE   1           HB2      PHE   1  14.718  -8.957   1.980
    6    HB3  PHE   1           HB3      PHE   1  16.037 -10.097   1.754
    7    HD1  PHE   1           HD2      PHE   1  15.713 -12.092   0.331
    8    HD2  PHE   1           HD1      PHE   1  12.722  -9.084   0.698
    9    HE1  PHE   1           HE2      PHE   1  14.608 -12.947  -1.696
   10    HE2  PHE   1           HE1      PHE   1  11.614  -9.931  -1.328
   11    HZ   PHE   1           HZ       PHE   1  12.555 -11.864  -2.529
   12    H    LEU   2           H        LEU   2  13.406  -9.148   4.745
   13    HA   LEU   2           HA       LEU   2  10.759  -9.513   3.618
   14    HB2  LEU   2           HB2      LEU   2  10.865 -11.283   5.325
   15    HB3  LEU   2           HB3      LEU   2  11.349 -10.104   6.526
   16    HG   LEU   2           HG       LEU   2   9.140  -8.949   6.161
   17   HD11  LEU   2          HD11      LEU   2   8.534 -11.469   4.623
   18   HD12  LEU   2          HD12      LEU   2   8.623  -9.833   3.965
   19   HD13  LEU   2          HD13      LEU   2   7.352 -10.255   5.114
   20   HD21  LEU   2          HD21      LEU   2   9.545 -10.412   8.073
   21   HD22  LEU   2          HD22      LEU   2   9.036 -11.806   7.120
   22   HD23  LEU   2          HD23      LEU   2   7.878 -10.534   7.511
   23    H    LEU   3           H        LEU   3   9.630  -7.607   3.760
   24    HA   LEU   3           HA       LEU   3  10.896  -5.377   5.037
   25    HB2  LEU   3           HB2      LEU   3   8.438  -5.749   3.367
   26    HB3  LEU   3           HB3      LEU   3   8.744  -4.232   4.188
   27    HG   LEU   3           HG       LEU   3   9.467  -4.136   1.882
   28   HD11  LEU   3          HD11      LEU   3  11.787  -3.382   2.269
   29   HD12  LEU   3          HD12      LEU   3  11.733  -4.139   3.864
   30   HD13  LEU   3          HD13      LEU   3  10.660  -2.789   3.491
   31   HD21  LEU   3          HD21      LEU   3  11.389  -5.457   1.089
   32   HD22  LEU   3          HD22      LEU   3   9.981  -6.456   1.449
   33   HD23  LEU   3          HD23      LEU   3  11.330  -6.394   2.583
   34    HA   PRO   4           HA       PRO   4   8.699  -6.297   8.856
   35    HB2  PRO   4           HB2      PRO   4  10.315  -4.014   9.787
   36    HB3  PRO   4           HB3      PRO   4  10.242  -5.665  10.411
   37    HG2  PRO   4           HG2      PRO   4  12.384  -4.781   9.073
   38    HG3  PRO   4           HG3      PRO   4  11.802  -6.449   8.882
   39    HD2  PRO   4           HD2      PRO   4  11.393  -4.082   7.085
   40    HD3  PRO   4           HD3      PRO   4  11.807  -5.766   6.659
   41    HA   PRO   5           HA       PRO   5   5.384  -3.358   8.609
   42    HB2  PRO   5           HB2      PRO   5   5.349  -3.722  11.568
   43    HB3  PRO   5           HB3      PRO   5   4.028  -3.855  10.402
   44    HG2  PRO   5           HG2      PRO   5   5.141  -6.034  11.460
   45    HG3  PRO   5           HG3      PRO   5   4.631  -5.998   9.761
   46    HD2  PRO   5           HD2      PRO   5   7.372  -5.853  10.921
   47    HD3  PRO   5           HD3      PRO   5   6.824  -6.579   9.398
   48    H    SER   6           H        SER   6   5.606  -1.243   8.408
   49    HA   SER   6           HA       SER   6   5.957   0.940   8.884
   50    HB2  SER   6           HB2      SER   6   4.976   0.390  11.106
   51    HB3  SER   6           HB3      SER   6   6.597   0.055  11.708
   52    HG   SER   6           HG       SER   6   6.881   2.383  10.713
   53    H    THR   7           H        THR   7   8.251  -1.295   8.691
   54    HA   THR   7           HA       THR   7  10.472   0.560   9.201
   55    HB   THR   7           HB       THR   7  10.764  -2.349   8.454
   56    HG1  THR   7           HG1      THR   7   9.551  -1.455  10.617
   57   HG21  THR   7          HG21      THR   7  12.886  -2.119   9.667
   58   HG22  THR   7          HG22      THR   7  12.499  -0.436  10.028
   59   HG23  THR   7          HG23      THR   7  12.770  -0.940   8.359
   60    H    ALA   8           H        ALA   8   9.588   1.729   7.291
   61    HA   ALA   8           HA       ALA   8   9.635   0.382   4.752
   62    HB1  ALA   8           HB1      ALA   8   9.106   3.276   5.389
   63    HB2  ALA   8           HB2      ALA   8   7.891   2.003   5.272
   64    HB3  ALA   8           HB3      ALA   8   8.813   2.477   3.845
   65    H    CYS   9           H        CYS   9  11.847  -0.161   4.618
   66    HA   CYS   9           HA       CYS   9  13.234   1.949   3.161
   67    HB2  CYS   9           HB2      CYS   9  14.372   1.789   5.380
   68    HB3  CYS   9           HB3      CYS   9  14.676   0.082   5.059
   69    H    CYS  10           H        CYS  10  12.366   0.913   1.363
   70    HA   CYS  10           HA       CYS  10  13.227  -1.864   0.938
   71    HB2  CYS  10           HB2      CYS  10  10.729  -1.297   1.085
   72    HB3  CYS  10           HB3      CYS  10  10.941  -0.509  -0.475
   73    H    THR  11           H        THR  11  14.467  -2.309  -0.764
   74    HA   THR  11           HA       THR  11  15.427  -0.049  -2.300
   75    HB   THR  11           HB       THR  11  17.202  -1.685  -3.023
   76    HG1  THR  11           HG1      THR  11  17.237  -3.692  -2.114
   77   HG21  THR  11          HG21      THR  11  16.827  -1.304  -0.043
   78   HG22  THR  11          HG22      THR  11  17.542  -0.131  -1.150
   79   HG23  THR  11          HG23      THR  11  18.352  -1.671  -0.859
   80    H    GLN  12           H        GLN  12  14.546  -3.422  -3.061
   81    HA   GLN  12           HA       GLN  12  14.130  -2.745  -5.820
   82    HB2  GLN  12           HB2      GLN  12  13.272  -5.197  -5.893
   83    HB3  GLN  12           HB3      GLN  12  14.981  -4.882  -5.661
   84    HG2  GLN  12           HG2      GLN  12  14.233  -6.676  -4.227
   85    HG3  GLN  12           HG3      GLN  12  14.742  -5.293  -3.269
   86   HE21  GLN  12          HE21      GLN  12  13.292  -4.274  -1.991
   87   HE22  GLN  12          HE22      GLN  12  11.671  -4.801  -1.748
   88    H    LEU  13           H        LEU  13  12.116  -3.323  -6.968
   89    HA   LEU  13           HA       LEU  13   9.717  -2.855  -5.331
   90    HB2  LEU  13           HB2      LEU  13  10.429  -1.447  -7.906
   91    HB3  LEU  13           HB3      LEU  13   8.860  -1.354  -7.134
   92    HG   LEU  13           HG       LEU  13  11.450  -0.367  -5.935
   93   HD11  LEU  13          HD11      LEU  13  10.514   1.862  -6.321
   94   HD12  LEU  13          HD12      LEU  13   9.136   1.137  -7.152
   95   HD13  LEU  13          HD13      LEU  13  10.757   0.985  -7.832
   96   HD21  LEU  13          HD21      LEU  13   9.823  -1.116  -4.257
   97   HD22  LEU  13          HD22      LEU  13   8.605  -0.063  -4.977
   98   HD23  LEU  13          HD23      LEU  13  10.040   0.635  -4.227
   99    H    TYR  14           H        TYR  14   7.937  -3.978  -5.941
  100    HA   TYR  14           HA       TYR  14   8.313  -6.173  -7.753
  101    HB2  TYR  14           HB2      TYR  14   6.996  -6.291  -5.628
  102    HB3  TYR  14           HB3      TYR  14   5.777  -5.266  -6.375
  103    HD1  TYR  14           HD2      TYR  14   7.673  -8.329  -7.396
  104    HD2  TYR  14           HD1      TYR  14   3.887  -6.426  -6.997
  105    HE1  TYR  14           HE2      TYR  14   6.575 -10.333  -8.301
  106    HE2  TYR  14           HE1      TYR  14   2.782  -8.428  -7.897
  107    HH   TYR  14           HH       TYR  14   4.351 -11.411  -8.209
  108    H    ARG  15           H        ARG  15   6.103  -3.393  -7.663
  109    HA   ARG  15           HA       ARG  15   5.377  -1.980  -9.274
  110    HB2  ARG  15           HB2      ARG  15   7.164  -3.509 -11.167
  111    HB3  ARG  15           HB3      ARG  15   6.417  -1.947 -11.482
  112    HG2  ARG  15           HG2      ARG  15   7.715  -0.953  -9.671
  113    HG3  ARG  15           HG3      ARG  15   8.450  -2.522  -9.334
  114    HD2  ARG  15           HD2      ARG  15   9.334  -2.524 -11.663
  115    HD3  ARG  15           HD3      ARG  15   8.733  -0.876 -11.843
  116    HE   ARG  15           HE       ARG  15  10.639  -1.524  -9.703
  117   HH11  ARG  15          HH11      ARG  15   9.848   0.213 -12.636
  118   HH12  ARG  15          HH12      ARG  15  11.234   1.262 -12.541
  119   HH21  ARG  15          HH21      ARG  15  12.459  -0.143  -9.557
  120   HH22  ARG  15          HH22      ARG  15  12.705   1.074 -10.779
  121    H    LYS  16           H        LYS  16   5.138  -5.397  -9.804
  122    HA   LYS  16           HA       LYS  16   3.314  -5.281 -11.980
  123    HB2  LYS  16           HB2      LYS  16   3.922  -7.489 -10.010
  124    HB3  LYS  16           HB3      LYS  16   2.872  -7.680 -11.408
  125    HG2  LYS  16           HG2      LYS  16   5.807  -7.002 -11.451
  126    HG3  LYS  16           HG3      LYS  16   5.071  -8.542 -11.900
  127    HD2  LYS  16           HD2      LYS  16   3.811  -7.336 -13.686
  128    HD3  LYS  16           HD3      LYS  16   4.732  -5.885 -13.289
  129    HE2  LYS  16           HE2      LYS  16   5.715  -7.008 -15.197
  130    HE3  LYS  16           HE3      LYS  16   6.811  -7.080 -13.817
  131    HZ1  LYS  16           HZ1      LYS  16   6.268  -9.335 -13.446
  132    HZ2  LYS  16           HZ2      LYS  16   6.543  -9.196 -15.114
  133    HZ3  LYS  16           HZ3      LYS  16   4.957  -9.286 -14.517
  134    HA   PRO  17           HA       PRO  17  -0.522  -4.389  -9.992
  135    HB2  PRO  17           HB2      PRO  17  -1.808  -6.270 -11.856
  136    HB3  PRO  17           HB3      PRO  17  -2.027  -4.525 -11.694
  137    HG2  PRO  17           HG2      PRO  17  -0.749  -5.585 -13.796
  138    HG3  PRO  17           HG3      PRO  17  -0.251  -4.038 -13.084
  139    HD2  PRO  17           HD2      PRO  17   0.954  -6.761 -12.731
  140    HD3  PRO  17           HD3      PRO  17   1.761  -5.196 -12.969
  141    H    LEU  18           H        LEU  18  -1.151  -5.185  -8.114
  142    HA   LEU  18           HA       LEU  18  -1.092  -8.035  -7.596
  143    HB2  LEU  18           HB2      LEU  18  -1.780  -5.687  -5.819
  144    HB3  LEU  18           HB3      LEU  18  -1.727  -7.356  -5.286
  145    HG   LEU  18           HG       LEU  18   0.622  -5.753  -6.306
  146   HD11  LEU  18          HD11      LEU  18   1.451  -5.966  -4.004
  147   HD12  LEU  18          HD12      LEU  18  -0.059  -6.750  -3.542
  148   HD13  LEU  18          HD13      LEU  18  -0.067  -5.070  -4.077
  149   HD21  LEU  18          HD21      LEU  18   0.811  -8.103  -6.921
  150   HD22  LEU  18          HD22      LEU  18   0.495  -8.573  -5.249
  151   HD23  LEU  18          HD23      LEU  18   1.965  -7.686  -5.653
  152    H    SER  19           H        SER  19  -2.844  -9.328  -7.356
  153    HA   SER  19           HA       SER  19  -5.297  -8.472  -8.521
  154    HB2  SER  19           HB2      SER  19  -4.686 -11.039  -7.040
  155    HB3  SER  19           HB3      SER  19  -6.053 -10.759  -8.120
  156    HG   SER  19           HG       SER  19  -3.293 -10.908  -8.758
  157    H    ASP  20           H        ASP  20  -7.342  -8.267  -7.584
  158    HA   ASP  20           HA       ASP  20  -7.429  -6.920  -5.133
  159    HB2  ASP  20           HB2      ASP  20  -9.134  -6.704  -6.932
  160    HB3  ASP  20           HB3      ASP  20  -9.733  -8.304  -6.503
  161    H    LYS  21           H        LYS  21  -7.760 -10.266  -5.906
  162    HA   LYS  21           HA       LYS  21  -9.018 -11.259  -3.639
  163    HB2  LYS  21           HB2      LYS  21  -6.804 -12.601  -5.193
  164    HB3  LYS  21           HB3      LYS  21  -8.039 -13.394  -4.225
  165    HG2  LYS  21           HG2      LYS  21  -9.758 -12.620  -5.770
  166    HG3  LYS  21           HG3      LYS  21  -8.528 -11.803  -6.734
  167    HD2  LYS  21           HD2      LYS  21  -7.436 -13.979  -7.126
  168    HD3  LYS  21           HD3      LYS  21  -8.739 -14.769  -6.235
  169    HE2  LYS  21           HE2      LYS  21  -9.002 -13.178  -8.786
  170    HE3  LYS  21           HE3      LYS  21  -9.139 -14.928  -8.623
  171    HZ1  LYS  21           HZ1      LYS  21 -11.315 -14.003  -8.732
  172    HZ2  LYS  21           HZ2      LYS  21 -10.982 -12.880  -7.504
  173    HZ3  LYS  21           HZ3      LYS  21 -11.070 -14.533  -7.141
  174    H    LEU  22           H        LEU  22  -5.537 -10.770  -4.244
  175    HA   LEU  22           HA       LEU  22  -4.880 -11.358  -1.530
  176    HB2  LEU  22           HB2      LEU  22  -2.625 -10.784  -2.071
  177    HB3  LEU  22           HB3      LEU  22  -3.294 -11.764  -3.356
  178    HG   LEU  22           HG       LEU  22  -3.722  -9.437  -4.503
  179   HD11  LEU  22          HD11      LEU  22  -1.971  -7.815  -3.982
  180   HD12  LEU  22          HD12      LEU  22  -1.434  -8.818  -2.635
  181   HD13  LEU  22          HD13      LEU  22  -3.034  -8.077  -2.600
  182   HD21  LEU  22          HD21      LEU  22  -2.298 -11.225  -5.361
  183   HD22  LEU  22          HD22      LEU  22  -0.989 -10.695  -4.303
  184   HD23  LEU  22          HD23      LEU  22  -1.557  -9.642  -5.599
  185    H    LEU  23           H        LEU  23  -5.831  -8.515  -3.262
  186    HA   LEU  23           HA       LEU  23  -4.664  -6.560  -1.613
  187    HB2  LEU  23           HB2      LEU  23  -7.156  -6.413  -3.301
  188    HB3  LEU  23           HB3      LEU  23  -6.434  -5.037  -2.497
  189    HG   LEU  23           HG       LEU  23  -5.139  -6.684  -4.672
  190   HD11  LEU  23          HD11      LEU  23  -6.883  -5.234  -5.528
  191   HD12  LEU  23          HD12      LEU  23  -5.294  -4.607  -5.977
  192   HD13  LEU  23          HD13      LEU  23  -6.197  -3.862  -4.658
  193   HD21  LEU  23          HD21      LEU  23  -3.333  -5.054  -4.579
  194   HD22  LEU  23          HD22      LEU  23  -3.503  -5.889  -3.035
  195   HD23  LEU  23          HD23      LEU  23  -4.118  -4.247  -3.221
  196    H    ARG  24           H        ARG  24  -7.775  -8.232  -1.391
  197    HA   ARG  24           HA       ARG  24  -8.901  -6.749   0.707
  198    HB2  ARG  24           HB2      ARG  24 -10.315  -8.688   1.111
  199    HB3  ARG  24           HB3      ARG  24 -10.118  -8.433  -0.620
  200    HG2  ARG  24           HG2      ARG  24  -8.398 -10.180  -0.662
  201    HG3  ARG  24           HG3      ARG  24  -8.660 -10.461   1.058
  202    HD2  ARG  24           HD2      ARG  24 -10.957 -11.115   0.621
  203    HD3  ARG  24           HD3      ARG  24 -10.746 -10.765  -1.095
  204    HE   ARG  24           HE       ARG  24  -8.840 -12.544  -0.785
  205   HH11  ARG  24          HH11      ARG  24 -12.068 -12.597   0.587
  206   HH12  ARG  24          HH12      ARG  24 -12.181 -14.333   0.562
  207   HH21  ARG  24          HH21      ARG  24  -8.968 -14.822  -0.780
  208   HH22  ARG  24          HH22      ARG  24 -10.413 -15.595  -0.207
  209    H    LYS  25           H        LYS  25  -6.074  -8.440   0.785
  210    HA   LYS  25           HA       LYS  25  -6.261  -9.176   3.630
  211    HB2  LYS  25           HB2      LYS  25  -4.201  -9.971   1.572
  212    HB3  LYS  25           HB3      LYS  25  -4.313 -10.574   3.219
  213    HG2  LYS  25           HG2      LYS  25  -6.209 -11.839   2.762
  214    HG3  LYS  25           HG3      LYS  25  -6.585 -10.921   1.301
  215    HD2  LYS  25           HD2      LYS  25  -5.691 -13.132   0.760
  216    HD3  LYS  25           HD3      LYS  25  -4.623 -11.846   0.205
  217    HE2  LYS  25           HE2      LYS  25  -3.253 -13.516   1.171
  218    HE3  LYS  25           HE3      LYS  25  -3.298 -12.150   2.289
  219    HZ1  LYS  25           HZ1      LYS  25  -3.575 -14.496   3.228
  220    HZ2  LYS  25           HZ2      LYS  25  -5.152 -14.430   2.608
  221    HZ3  LYS  25           HZ3      LYS  25  -4.647 -13.297   3.764
  222    H    VAL  26           H        VAL  26  -5.133  -6.798   1.582
  223    HA   VAL  26           HA       VAL  26  -2.715  -6.118   3.008
  224    HB   VAL  26           HB       VAL  26  -4.224  -4.383   1.045
  225   HG11  VAL  26          HG11      VAL  26  -2.041  -3.344   0.676
  226   HG12  VAL  26          HG12      VAL  26  -1.330  -4.412   1.887
  227   HG13  VAL  26          HG13      VAL  26  -2.540  -3.219   2.362
  228   HG21  VAL  26          HG21      VAL  26  -2.769  -5.266  -0.699
  229   HG22  VAL  26          HG22      VAL  26  -3.742  -6.551   0.019
  230   HG23  VAL  26          HG23      VAL  26  -2.042  -6.381   0.458
  231    H    ILE  27           H        ILE  27  -3.398  -5.831   5.113
  232    HA   ILE  27           HA       ILE  27  -5.706  -4.349   5.817
  233    HB   ILE  27           HB       ILE  27  -4.906  -4.587   8.147
  234   HG12  ILE  27          HG12      ILE  27  -2.520  -5.916   6.837
  235   HG13  ILE  27          HG13      ILE  27  -2.502  -4.428   7.768
  236   HG21  ILE  27          HG21      ILE  27  -4.809  -7.080   6.465
  237   HG22  ILE  27          HG22      ILE  27  -6.252  -6.323   7.140
  238   HG23  ILE  27          HG23      ILE  27  -5.045  -7.036   8.211
  239   HD11  ILE  27          HD11      ILE  27  -3.119  -7.180   8.804
  240   HD12  ILE  27          HD12      ILE  27  -3.192  -5.696   9.757
  241   HD13  ILE  27          HD13      ILE  27  -1.652  -6.241   9.089
  242    H    GLN  28           H        GLN  28  -2.447  -3.372   5.198
  243    HA   GLN  28           HA       GLN  28  -3.109  -0.661   6.083
  244    HB2  GLN  28           HB2      GLN  28  -0.680  -2.205   6.999
  245    HB3  GLN  28           HB3      GLN  28  -0.820  -0.457   7.126
  246    HG2  GLN  28           HG2      GLN  28  -2.745  -2.392   8.380
  247    HG3  GLN  28           HG3      GLN  28  -1.351  -1.705   9.211
  248   HE21  GLN  28          HE21      GLN  28  -4.268  -1.466   9.690
  249   HE22  GLN  28          HE22      GLN  28  -4.590   0.236   9.729
  250    H    VAL  29           H        VAL  29  -1.742   0.982   5.181
  251    HA   VAL  29           HA       VAL  29  -0.201   0.103   2.825
  252    HB   VAL  29           HB       VAL  29  -1.774   2.677   3.103
  253   HG11  VAL  29          HG11      VAL  29  -1.199   3.006   0.726
  254   HG12  VAL  29          HG12      VAL  29  -0.164   1.579   0.797
  255   HG13  VAL  29          HG13      VAL  29   0.222   2.999   1.771
  256   HG21  VAL  29          HG21      VAL  29  -3.204   1.758   1.329
  257   HG22  VAL  29          HG22      VAL  29  -3.252   0.777   2.795
  258   HG23  VAL  29          HG23      VAL  29  -2.307   0.241   1.406
  259    H    GLU  30           H        GLU  30   1.883   0.632   2.896
  260    HA   GLU  30           HA       GLU  30   2.732   2.561   4.953
  261    HB2  GLU  30           HB2      GLU  30   4.555   0.503   3.744
  262    HB3  GLU  30           HB3      GLU  30   4.636   1.257   5.333
  263    HG2  GLU  30           HG2      GLU  30   2.533   0.007   5.912
  264    HG3  GLU  30           HG3      GLU  30   2.734  -0.867   4.389
  265    H    LEU  31           H        LEU  31   4.405   4.032   4.420
  266    HA   LEU  31           HA       LEU  31   5.007   4.239   1.556
  267    HB2  LEU  31           HB2      LEU  31   3.322   5.892   1.987
  268    HB3  LEU  31           HB3      LEU  31   4.160   6.454   3.420
  269    HG   LEU  31           HG       LEU  31   6.003   7.291   1.999
  270   HD11  LEU  31          HD11      LEU  31   5.718   7.424  -0.412
  271   HD12  LEU  31          HD12      LEU  31   4.212   6.516  -0.296
  272   HD13  LEU  31          HD13      LEU  31   5.741   5.744   0.126
  273   HD21  LEU  31          HD21      LEU  31   4.158   8.760   2.664
  274   HD22  LEU  31          HD22      LEU  31   3.291   8.319   1.190
  275   HD23  LEU  31          HD23      LEU  31   4.819   9.194   1.087
  276    H    GLN  32           H        GLN  32   7.101   4.064   1.263
  277    HA   GLN  32           HA       GLN  32   8.976   4.912   3.304
  278    HB2  GLN  32           HB2      GLN  32   9.477   2.916   1.918
  279    HB3  GLN  32           HB3      GLN  32   9.487   3.932   0.481
  280    HG2  GLN  32           HG2      GLN  32  11.367   5.209   1.428
  281    HG3  GLN  32           HG3      GLN  32  11.377   4.122   2.815
  282   HE21  GLN  32          HE21      GLN  32  10.728   2.987  -0.406
  283   HE22  GLN  32          HE22      GLN  32  12.219   2.140  -0.627
  284    H    GLU  33           H        GLU  33   9.075   7.051   3.543
  285    HA   GLU  33           HA       GLU  33   8.606   8.950   1.534
  286    HB2  GLU  33           HB2      GLU  33  10.199   9.226   4.093
  287    HB3  GLU  33           HB3      GLU  33   9.657  10.567   3.092
  288    HG2  GLU  33           HG2      GLU  33   7.313   9.819   3.474
  289    HG3  GLU  33           HG3      GLU  33   7.935   8.620   4.607
  290    H    ALA  34           H        ALA  34  10.150  10.392   0.518
  291    HA   ALA  34           HA       ALA  34  12.066   8.762  -0.832
  292    HB1  ALA  34           HB1      ALA  34  11.462  11.692  -1.166
  293    HB2  ALA  34           HB2      ALA  34  10.656  10.371  -2.009
  294    HB3  ALA  34           HB3      ALA  34  12.369  10.680  -2.289
  295    H    ASP  35           H        ASP  35  12.622   9.637   2.043
  296    HA   ASP  35           HA       ASP  35  15.387  10.037   1.911
  297    HB2  ASP  35           HB2      ASP  35  14.842  12.254   1.024
  298    HB3  ASP  35           HB3      ASP  35  13.791  12.568   2.399
  299    H    GLY  36           H        GLY  36  12.398  10.539   3.649
  300    HA2  GLY  36           HA2      GLY  36  13.146  11.058   6.211
  301    HA3  GLY  36           HA3      GLY  36  11.767  10.056   5.802
  302    H    ASP  37           H        ASP  37  12.428   7.695   5.252
  303    HA   ASP  37           HA       ASP  37  14.022   6.770   7.509
  304    HB2  ASP  37           HB2      ASP  37  11.743   5.789   6.859
  305    HB3  ASP  37           HB3      ASP  37  12.558   5.064   5.479
  306    H    CYS  38           H        CYS  38  13.776   6.258   4.040
  307    HA   CYS  38           HA       CYS  38  16.677   6.225   3.816
  308    HB2  CYS  38           HB2      CYS  38  14.817   4.075   2.800
  309    HB3  CYS  38           HB3      CYS  38  16.435   4.308   2.160
  310    H    HIS  39           H        HIS  39  17.370   6.753   1.603
  311    HA   HIS  39           HA       HIS  39  15.525   8.640   0.450
  312    HB2  HIS  39           HB2      HIS  39  17.442   9.047  -1.199
  313    HB3  HIS  39           HB3      HIS  39  17.697   9.489   0.480
  314    HD1  HIS  39           HD1      HIS  39  19.652   8.468   1.654
  315    HD2  HIS  39           HD2      HIS  39  18.872   6.657  -2.011
  316    HE1  HIS  39           HE1      HIS  39  21.619   6.966   1.205
  317    HE2  HIS  39           HE2      HIS  39  21.239   6.083  -1.120
  318    H    LEU  40           H        LEU  40  13.938   7.068  -0.129
  319    HA   LEU  40           HA       LEU  40  13.987   6.602  -2.932
  320    HB2  LEU  40           HB2      LEU  40  15.281   4.616  -1.888
  321    HB3  LEU  40           HB3      LEU  40  13.727   4.100  -1.268
  322    HG   LEU  40           HG       LEU  40  14.134   4.574  -4.212
  323   HD11  LEU  40          HD11      LEU  40  14.652   2.018  -2.700
  324   HD12  LEU  40          HD12      LEU  40  15.876   3.030  -3.464
  325   HD13  LEU  40          HD13      LEU  40  14.667   2.210  -4.452
  326   HD21  LEU  40          HD21      LEU  40  11.832   4.324  -3.378
  327   HD22  LEU  40          HD22      LEU  40  12.268   2.765  -2.675
  328   HD23  LEU  40          HD23      LEU  40  12.306   2.985  -4.425
  329    H    GLN  41           H        GLN  41  11.936   6.939  -3.570
  330    HA   GLN  41           HA       GLN  41   9.865   6.955  -1.516
  331    HB2  GLN  41           HB2      GLN  41  10.162   8.902  -3.034
  332    HB3  GLN  41           HB3      GLN  41   9.739   7.873  -4.394
  333    HG2  GLN  41           HG2      GLN  41   7.527   7.480  -3.351
  334    HG3  GLN  41           HG3      GLN  41   7.964   8.623  -2.083
  335   HE21  GLN  41          HE21      GLN  41   8.909   9.011  -5.421
  336   HE22  GLN  41          HE22      GLN  41   7.904  10.379  -5.748
  337    H    ALA  42           H        ALA  42   8.642   5.212  -1.225
  338    HA   ALA  42           HA       ALA  42   7.689   3.728  -3.551
  339    HB1  ALA  42           HB1      ALA  42   9.750   2.568  -2.834
  340    HB2  ALA  42           HB2      ALA  42   8.306   1.570  -2.665
  341    HB3  ALA  42           HB3      ALA  42   9.027   2.323  -1.244
  342    H    PHE  43           H        PHE  43   5.626   3.177  -3.347
  343    HA   PHE  43           HA       PHE  43   4.331   3.400  -0.746
  344    HB2  PHE  43           HB2      PHE  43   3.460   3.533  -3.547
  345    HB3  PHE  43           HB3      PHE  43   2.374   2.618  -2.507
  346    HD1  PHE  43           HD1      PHE  43   1.237   3.687  -0.652
  347    HD2  PHE  43           HD2      PHE  43   3.704   5.917  -3.306
  348    HE1  PHE  43           HE1      PHE  43   0.228   5.775   0.169
  349    HE2  PHE  43           HE2      PHE  43   2.698   8.008  -2.494
  350    HZ   PHE  43           HZ       PHE  43   0.955   7.942  -0.756
  351    H    VAL  44           H        VAL  44   4.206   1.668   0.494
  352    HA   VAL  44           HA       VAL  44   4.650  -0.947  -0.778
  353    HB   VAL  44           HB       VAL  44   5.325  -0.055   2.031
  354   HG11  VAL  44          HG11      VAL  44   5.995  -2.626   0.600
  355   HG12  VAL  44          HG12      VAL  44   4.820  -2.448   1.904
  356   HG13  VAL  44          HG13      VAL  44   6.533  -2.163   2.216
  357   HG21  VAL  44          HG21      VAL  44   7.650  -0.148   1.260
  358   HG22  VAL  44          HG22      VAL  44   6.702   1.028   0.341
  359   HG23  VAL  44          HG23      VAL  44   7.086  -0.541  -0.368
  360    H    LEU  45           H        LEU  45   3.176  -2.504  -0.524
  361    HA   LEU  45           HA       LEU  45   0.786  -1.827   0.996
  362    HB2  LEU  45           HB2      LEU  45   1.352  -3.890  -1.113
  363    HB3  LEU  45           HB3      LEU  45  -0.130  -3.903  -0.170
  364    HG   LEU  45           HG       LEU  45   0.810  -1.746  -2.053
  365   HD11  LEU  45          HD11      LEU  45  -1.295  -2.229  -3.208
  366   HD12  LEU  45          HD12      LEU  45  -1.609  -3.537  -2.068
  367   HD13  LEU  45          HD13      LEU  45  -0.227  -3.629  -3.158
  368   HD21  LEU  45          HD21      LEU  45  -1.524  -1.753  -0.149
  369   HD22  LEU  45          HD22      LEU  45  -1.284  -0.582  -1.446
  370   HD23  LEU  45          HD23      LEU  45  -0.129  -0.674  -0.117
  371    H    HIS  46           H        HIS  46   0.464  -2.551   2.921
  372    HA   HIS  46           HA       HIS  46   2.148  -4.717   3.913
  373    HB2  HIS  46           HB2      HIS  46   2.145  -2.576   5.142
  374    HB3  HIS  46           HB3      HIS  46   0.414  -2.747   5.419
  375    HD1  HIS  46           HD1      HIS  46   3.727  -4.117   6.474
  376    HD2  HIS  46           HD2      HIS  46  -0.290  -4.514   7.459
  377    HE1  HIS  46           HE1      HIS  46   3.684  -5.395   8.637
  378    HE2  HIS  46           HE2      HIS  46   1.262  -5.374   9.341
  379    H    LEU  47           H        LEU  47   1.129  -6.569   3.269
  380    HA   LEU  47           HA       LEU  47  -1.676  -6.976   3.822
  381    HB2  LEU  47           HB2      LEU  47   0.480  -8.931   2.997
  382    HB3  LEU  47           HB3      LEU  47  -1.216  -9.335   3.167
  383    HG   LEU  47           HG       LEU  47  -1.578  -7.457   1.395
  384   HD11  LEU  47          HD11      LEU  47   1.304  -8.183   0.900
  385   HD12  LEU  47          HD12      LEU  47   0.691  -6.602   1.385
  386   HD13  LEU  47          HD13      LEU  47   0.272  -7.264  -0.196
  387   HD21  LEU  47          HD21      LEU  47  -0.366 -10.120   0.667
  388   HD22  LEU  47          HD22      LEU  47  -1.355  -9.108  -0.384
  389   HD23  LEU  47          HD23      LEU  47  -2.058  -9.829   1.063
  390    H    ALA  48           H        ALA  48  -2.371  -8.768   5.252
  391    HA   ALA  48           HA       ALA  48  -1.352  -8.428   7.850
  392    HB1  ALA  48           HB1      ALA  48  -2.901 -10.169   8.520
  393    HB2  ALA  48           HB2      ALA  48  -3.118 -10.654   6.838
  394    HB3  ALA  48           HB3      ALA  48  -3.672  -9.067   7.378
  395    H    GLN  49           H        GLN  49  -0.066 -10.269   5.339
  396    HA   GLN  49           HA       GLN  49   1.251 -12.101   7.224
  397    HB2  GLN  49           HB2      GLN  49   1.427 -12.381   4.240
  398    HB3  GLN  49           HB3      GLN  49   1.653 -13.604   5.475
  399    HG2  GLN  49           HG2      GLN  49  -0.351 -14.239   4.603
  400    HG3  GLN  49           HG3      GLN  49  -0.890 -13.196   5.919
  401   HE21  GLN  49          HE21      GLN  49  -2.061 -11.428   5.459
  402   HE22  GLN  49          HE22      GLN  49  -2.490 -10.930   3.859
  403    H    ARG  50           H        ARG  50   1.822  -9.937   4.461
  404    HA   ARG  50           HA       ARG  50   4.496  -9.363   5.409
  405    HB2  ARG  50           HB2      ARG  50   5.649 -10.113   3.447
  406    HB3  ARG  50           HB3      ARG  50   4.704 -11.464   4.053
  407    HG2  ARG  50           HG2      ARG  50   3.697  -9.678   1.863
  408    HG3  ARG  50           HG3      ARG  50   4.721 -11.066   1.548
  409    HD2  ARG  50           HD2      ARG  50   2.040 -11.133   2.907
  410    HD3  ARG  50           HD3      ARG  50   2.369 -11.619   1.247
  411    HE   ARG  50           HE       ARG  50   3.728 -12.975   3.475
  412   HH11  ARG  50          HH11      ARG  50   1.552 -13.086   0.717
  413   HH12  ARG  50          HH12      ARG  50   1.461 -14.824   0.709
  414   HH21  ARG  50          HH21      ARG  50   3.569 -15.234   3.478
  415   HH22  ARG  50          HH22      ARG  50   2.624 -16.049   2.268
  416    H    SER  51           H        SER  51   5.589  -7.769   3.916
  417    HA   SER  51           HA       SER  51   3.594  -5.992   2.692
  418    HB2  SER  51           HB2      SER  51   6.380  -5.385   3.710
  419    HB3  SER  51           HB3      SER  51   5.284  -4.209   2.984
  420    HG   SER  51           HG       SER  51   4.736  -3.934   4.999
  421    H    ILE  52           H        ILE  52   3.815  -5.311   0.625
  422    HA   ILE  52           HA       ILE  52   6.073  -6.395  -0.941
  423    HB   ILE  52           HB       ILE  52   3.256  -5.844  -1.918
  424   HG12  ILE  52          HG12      ILE  52   4.672  -8.482  -1.458
  425   HG13  ILE  52          HG13      ILE  52   3.404  -7.817  -0.434
  426   HG21  ILE  52          HG21      ILE  52   3.977  -6.895  -3.997
  427   HG22  ILE  52          HG22      ILE  52   5.601  -7.105  -3.342
  428   HG23  ILE  52          HG23      ILE  52   4.969  -5.484  -3.630
  429   HD11  ILE  52          HD11      ILE  52   2.547  -9.537  -1.920
  430   HD12  ILE  52          HD12      ILE  52   3.091  -8.610  -3.320
  431   HD13  ILE  52          HD13      ILE  52   1.823  -7.968  -2.273
  432    H    CYS  53           H        CYS  53   7.079  -4.950  -2.401
  433    HA   CYS  53           HA       CYS  53   6.528  -2.161  -1.687
  434    HB2  CYS  53           HB2      CYS  53   8.997  -3.381  -2.929
  435    HB3  CYS  53           HB3      CYS  53   8.822  -1.712  -2.393
  436    H    ILE  54           H        ILE  54   5.772  -0.778  -3.076
  437    HA   ILE  54           HA       ILE  54   5.707  -1.499  -5.922
  438    HB   ILE  54           HB       ILE  54   3.465  -0.556  -4.142
  439   HG12  ILE  54          HG12      ILE  54   3.782  -2.905  -6.016
  440   HG13  ILE  54          HG13      ILE  54   3.763  -2.958  -4.256
  441   HG21  ILE  54          HG21      ILE  54   3.409   0.840  -6.109
  442   HG22  ILE  54          HG22      ILE  54   2.067  -0.305  -6.119
  443   HG23  ILE  54          HG23      ILE  54   3.473  -0.586  -7.145
  444   HD11  ILE  54          HD11      ILE  54   1.651  -3.695  -5.250
  445   HD12  ILE  54          HD12      ILE  54   1.456  -2.102  -5.988
  446   HD13  ILE  54          HD13      ILE  54   1.449  -2.270  -4.231
  447    H    HIS  55           H        HIS  55   5.827   0.207  -7.380
  448    HA   HIS  55           HA       HIS  55   7.103   2.600  -6.666
  449    HB2  HIS  55           HB2      HIS  55   7.059   1.551  -8.951
  450    HB3  HIS  55           HB3      HIS  55   5.382   2.065  -9.107
  451    HD1  HIS  55           HD1      HIS  55   5.116   4.186 -10.350
  452    HD2  HIS  55           HD2      HIS  55   8.817   3.926  -8.476
  453    HE1  HIS  55           HE1      HIS  55   6.346   6.282 -10.990
  454    HE2  HIS  55           HE2      HIS  55   8.455   6.224  -9.618
  455    HA   PRO  56           HA       PRO  56   3.840   5.022  -4.812
  456    HB2  PRO  56           HB2      PRO  56   4.590   7.446  -6.065
  457    HB3  PRO  56           HB3      PRO  56   5.051   6.896  -4.453
  458    HG2  PRO  56           HG2      PRO  56   6.558   6.754  -7.006
  459    HG3  PRO  56           HG3      PRO  56   7.164   6.912  -5.348
  460    HD2  PRO  56           HD2      PRO  56   7.358   4.601  -6.702
  461    HD3  PRO  56           HD3      PRO  56   7.038   4.628  -4.955
  462    H    GLN  57           H        GLN  57   4.494   6.362  -8.052
  463    HA   GLN  57           HA       GLN  57   1.672   6.258  -8.659
  464    HB2  GLN  57           HB2      GLN  57   4.070   7.133 -10.274
  465    HB3  GLN  57           HB3      GLN  57   2.449   7.073 -10.944
  466    HG2  GLN  57           HG2      GLN  57   2.886   9.311 -10.312
  467    HG3  GLN  57           HG3      GLN  57   1.729   8.651  -9.159
  468   HE21  GLN  57          HE21      GLN  57   2.266  10.199  -7.631
  469   HE22  GLN  57          HE22      GLN  57   3.747  10.127  -6.738
  470    H    ASN  58           H        ASN  58   1.473   3.969  -8.365
  471    HA   ASN  58           HA       ASN  58   2.095   2.539 -10.861
  472    HB2  ASN  58           HB2      ASN  58   3.509   1.947  -8.702
  473    HB3  ASN  58           HB3      ASN  58   2.062   1.038  -8.269
  474   HD21  ASN  58          HD21      ASN  58   1.554  -0.805  -9.400
  475   HD22  ASN  58          HD22      ASN  58   2.638  -1.541 -10.528
  476    HA   PRO  59           HA       PRO  59  -2.247   1.888 -11.205
  477    HB2  PRO  59           HB2      PRO  59  -1.383  -0.872 -11.968
  478    HB3  PRO  59           HB3      PRO  59  -2.520   0.214 -12.775
  479    HG2  PRO  59           HG2      PRO  59  -0.050  -0.099 -13.713
  480    HG3  PRO  59           HG3      PRO  59  -0.833   1.492 -13.725
  481    HD2  PRO  59           HD2      PRO  59   1.334   0.462 -11.973
  482    HD3  PRO  59           HD3      PRO  59   1.013   2.118 -12.527
  483    H    SER  60           H        SER  60  -0.389  -0.787  -9.783
  484    HA   SER  60           HA       SER  60  -2.433  -2.116  -8.478
  485    HB2  SER  60           HB2      SER  60   0.270  -1.870  -7.207
  486    HB3  SER  60           HB3      SER  60  -0.756  -3.294  -7.382
  487    HG   SER  60           HG       SER  60   0.894  -3.499  -8.856
  488    H    LEU  61           H        LEU  61  -0.443   0.588  -7.316
  489    HA   LEU  61           HA       LEU  61  -1.502   0.414  -4.651
  490    HB2  LEU  61           HB2      LEU  61   0.823   1.329  -5.649
  491    HB3  LEU  61           HB3      LEU  61  -0.048   2.843  -5.547
  492    HG   LEU  61           HG       LEU  61   1.256   2.628  -3.563
  493   HD11  LEU  61          HD11      LEU  61  -0.968   3.538  -3.213
  494   HD12  LEU  61          HD12      LEU  61  -0.416   2.639  -1.799
  495   HD13  LEU  61          HD13      LEU  61  -1.592   1.919  -2.900
  496   HD21  LEU  61          HD21      LEU  61  -0.003  -0.077  -3.168
  497   HD22  LEU  61          HD22      LEU  61   1.069   0.737  -2.024
  498   HD23  LEU  61          HD23      LEU  61   1.674   0.244  -3.608
  499    H    SER  62           H        SER  62  -1.981   2.537  -7.461
  500    HA   SER  62           HA       SER  62  -3.559   4.402  -6.000
  501    HB2  SER  62           HB2      SER  62  -2.255   4.927  -8.098
  502    HB3  SER  62           HB3      SER  62  -3.499   4.066  -9.004
  503    HG   SER  62           HG       SER  62  -3.862   6.360  -7.362
  504    H    GLN  63           H        GLN  63  -4.355   1.748  -8.231
  505    HA   GLN  63           HA       GLN  63  -7.157   2.074  -8.062
  506    HB2  GLN  63           HB2      GLN  63  -5.529  -0.424  -8.566
  507    HB3  GLN  63           HB3      GLN  63  -7.272  -0.317  -8.762
  508    HG2  GLN  63           HG2      GLN  63  -6.898   1.465 -10.464
  509    HG3  GLN  63           HG3      GLN  63  -5.167   1.142 -10.342
  510   HE21  GLN  63          HE21      GLN  63  -4.382  -0.867 -11.025
  511   HE22  GLN  63          HE22      GLN  63  -5.274  -1.884 -12.103
  512    H    TRP  64           H        TRP  64  -4.772   0.633  -5.995
  513    HA   TRP  64           HA       TRP  64  -6.461  -0.837  -4.320
  514    HB2  TRP  64           HB2      TRP  64  -4.012  -1.037  -4.231
  515    HB3  TRP  64           HB3      TRP  64  -3.901   0.599  -3.610
  516    HD1  TRP  64           HD1      TRP  64  -3.033   0.255  -1.235
  517    HE1  TRP  64           HE1      TRP  64  -3.836  -1.029   0.839
  518    HE3  TRP  64           HE3      TRP  64  -6.908  -2.374  -3.318
  519    HZ2  TRP  64           HZ2      TRP  64  -5.845  -2.871   1.517
  520    HZ3  TRP  64           HZ3      TRP  64  -8.224  -3.851  -1.875
  521    HH2  TRP  64           HH2      TRP  64  -7.701  -4.095   0.490
  522    H    PHE  65           H        PHE  65  -5.535   2.575  -4.291
  523    HA   PHE  65           HA       PHE  65  -6.784   3.306  -1.916
  524    HB2  PHE  65           HB2      PHE  65  -6.163   4.764  -4.450
  525    HB3  PHE  65           HB3      PHE  65  -7.192   5.541  -3.250
  526    HD1  PHE  65           HD1      PHE  65  -6.320   6.125  -1.056
  527    HD2  PHE  65           HD2      PHE  65  -3.817   4.429  -4.046
  528    HE1  PHE  65           HE1      PHE  65  -4.336   6.854   0.199
  529    HE2  PHE  65           HE2      PHE  65  -1.829   5.158  -2.797
  530    HZ   PHE  65           HZ       PHE  65  -2.083   6.379  -0.676
  531    H    GLU  66           H        GLU  66  -8.162   2.932  -5.165
  532    HA   GLU  66           HA       GLU  66 -10.812   3.662  -4.472
  533    HB2  GLU  66           HB2      GLU  66  -9.895   1.679  -6.562
  534    HB3  GLU  66           HB3      GLU  66 -11.495   2.393  -6.463
  535    HG2  GLU  66           HG2      GLU  66 -10.537   4.592  -6.898
  536    HG3  GLU  66           HG3      GLU  66  -8.933   3.865  -6.998
  537    H    HIS  67           H        HIS  67  -9.147   0.557  -4.636
  538    HA   HIS  67           HA       HIS  67 -11.417  -1.017  -4.044
  539    HB2  HIS  67           HB2      HIS  67  -8.463  -1.604  -4.043
  540    HB3  HIS  67           HB3      HIS  67  -9.650  -2.820  -3.586
  541    HD1  HIS  67           HD1      HIS  67  -9.682  -4.390  -5.505
  542    HD2  HIS  67           HD2      HIS  67  -9.833  -0.413  -6.734
  543    HE1  HIS  67           HE1      HIS  67  -9.979  -4.456  -8.005
  544    HE2  HIS  67           HE2      HIS  67 -10.248  -2.050  -8.697
  545    H    GLN  68           H        GLN  68  -8.664  -0.001  -2.009
  546    HA   GLN  68           HA       GLN  68  -9.467  -1.389   0.308
  547    HB2  GLN  68           HB2      GLN  68  -7.871  -0.070   1.501
  548    HB3  GLN  68           HB3      GLN  68  -7.198  -0.403  -0.088
  549    HG2  GLN  68           HG2      GLN  68  -7.849   1.843  -0.825
  550    HG3  GLN  68           HG3      GLN  68  -8.484   2.176   0.786
  551   HE21  GLN  68          HE21      GLN  68  -6.329   0.665   2.067
  552   HE22  GLN  68          HE22      GLN  68  -4.933   1.675   1.979
  553    H    GLU  69           H        GLU  69 -10.307   1.736  -0.979
  554    HA   GLU  69           HA       GLU  69 -11.586   2.912   1.192
  555    HB2  GLU  69           HB2      GLU  69 -11.134   3.969  -1.027
  556    HB3  GLU  69           HB3      GLU  69 -12.440   3.015  -1.710
  557    HG2  GLU  69           HG2      GLU  69 -14.007   4.130  -0.152
  558    HG3  GLU  69           HG3      GLU  69 -12.675   5.154   0.391
  559    H    ARG  70           H        ARG  70 -12.673   0.475  -1.075
  560    HA   ARG  70           HA       ARG  70 -15.126   0.112   0.517
  561    HB2  ARG  70           HB2      ARG  70 -16.015  -0.997  -1.577
  562    HB3  ARG  70           HB3      ARG  70 -15.750   0.737  -1.684
  563    HG2  ARG  70           HG2      ARG  70 -13.484   0.155  -2.705
  564    HG3  ARG  70           HG3      ARG  70 -14.125  -1.478  -2.885
  565    HD2  ARG  70           HD2      ARG  70 -15.212  -0.882  -4.726
  566    HD3  ARG  70           HD3      ARG  70 -16.060   0.388  -3.843
  567    HE   ARG  70           HE       ARG  70 -13.595   1.446  -4.341
  568   HH11  ARG  70          HH11      ARG  70 -16.122   0.072  -6.350
  569   HH12  ARG  70          HH12      ARG  70 -15.734   1.068  -7.722
  570   HH21  ARG  70          HH21      ARG  70 -13.117   2.769  -6.142
  571   HH22  ARG  70          HH22      ARG  70 -14.028   2.584  -7.608
  572    H    LYS  71           H        LYS  71 -12.514  -1.024   1.159
  573    HA   LYS  71           HA       LYS  71 -13.190  -3.881   0.979
  574    HB2  LYS  71           HB2      LYS  71 -11.387  -2.963  -0.717
  575    HB3  LYS  71           HB3      LYS  71 -10.335  -3.025   0.677
  576    HG2  LYS  71           HG2      LYS  71  -9.940  -5.036  -0.387
  577    HG3  LYS  71           HG3      LYS  71 -11.083  -5.480   0.877
  578    HD2  LYS  71           HD2      LYS  71 -11.646  -6.530  -1.247
  579    HD3  LYS  71           HD3      LYS  71 -12.910  -5.412  -0.727
  580    HE2  LYS  71           HE2      LYS  71 -12.167  -3.749  -2.289
  581    HE3  LYS  71           HE3      LYS  71 -10.734  -4.701  -2.690
  582    HZ1  LYS  71           HZ1      LYS  71 -13.497  -5.671  -3.166
  583    HZ2  LYS  71           HZ2      LYS  71 -12.046  -6.320  -3.771
  584    HZ3  LYS  71           HZ3      LYS  71 -12.606  -4.824  -4.330
  585    H    LEU  72           H        LEU  72 -10.657  -4.632   2.254
  586    HA   LEU  72           HA       LEU  72 -10.060  -5.280   4.306
  587    HB2  LEU  72           HB2      LEU  72 -10.171  -2.310   4.693
  588    HB3  LEU  72           HB3      LEU  72  -9.428  -3.420   5.830
  589    HG   LEU  72           HG       LEU  72  -7.613  -2.714   4.615
  590   HD11  LEU  72          HD11      LEU  72  -8.576  -5.054   2.996
  591   HD12  LEU  72          HD12      LEU  72  -7.757  -5.163   4.557
  592   HD13  LEU  72          HD13      LEU  72  -6.906  -4.503   3.156
  593   HD21  LEU  72          HD21      LEU  72  -9.343  -2.780   2.182
  594   HD22  LEU  72          HD22      LEU  72  -7.632  -2.363   2.186
  595   HD23  LEU  72          HD23      LEU  72  -8.793  -1.343   3.039
  596    H    HIS  73           H        HIS  73 -13.021  -5.185   3.962
  597    HA   HIS  73           HA       HIS  73 -14.792  -5.779   5.272
  598    HB2  HIS  73           HB2      HIS  73 -13.066  -7.184   6.404
  599    HB3  HIS  73           HB3      HIS  73 -12.763  -5.868   7.525
  600    HD1  HIS  73           HD1      HIS  73 -15.623  -8.156   6.502
  601    HD2  HIS  73           HD2      HIS  73 -14.260  -5.991   9.779
  602    HE1  HIS  73           HE1      HIS  73 -17.137  -8.787   8.412
  603    HE2  HIS  73           HE2      HIS  73 -16.114  -7.670  10.430
  604    H    GLY  74           H        GLY  74 -13.583  -2.917   5.146
  605    HA2  GLY  74           HA2      GLY  74 -14.715  -0.929   5.660
  606    HA3  GLY  74           HA3      GLY  74 -15.594  -1.776   6.924
  607    H    THR  75           H        THR  75 -12.519  -2.684   7.417
  608    HA   THR  75           HA       THR  75 -12.053  -0.506   9.329
  609    HB   THR  75           HB       THR  75 -10.361  -2.143  10.312
  610    HG1  THR  75           HG1      THR  75 -10.753  -3.499   8.203
  611   HG21  THR  75          HG21      THR  75 -13.281  -2.908  10.321
  612   HG22  THR  75          HG22      THR  75 -12.527  -1.687  11.345
  613   HG23  THR  75          HG23      THR  75 -12.089  -3.387  11.528
  614    H    LEU  76           H        LEU  76 -10.570   0.947   8.814
  615    HA   LEU  76           HA       LEU  76  -8.255   0.307   7.245
  616    HB2  LEU  76           HB2      LEU  76 -10.099   0.597   5.577
  617    HB3  LEU  76           HB3      LEU  76 -10.321   2.226   6.172
  618    HG   LEU  76           HG       LEU  76  -7.895   2.625   5.530
  619   HD11  LEU  76          HD11      LEU  76  -6.949   1.192   3.843
  620   HD12  LEU  76          HD12      LEU  76  -8.382   0.163   3.865
  621   HD13  LEU  76          HD13      LEU  76  -7.325   0.229   5.275
  622   HD21  LEU  76          HD21      LEU  76  -9.906   2.064   3.357
  623   HD22  LEU  76          HD22      LEU  76  -8.485   3.101   3.216
  624   HD23  LEU  76          HD23      LEU  76  -9.798   3.547   4.305
  625    HA   PRO  77           HA       PRO  77  -6.802   3.647   9.774
  626    HB2  PRO  77           HB2      PRO  77  -4.481   4.139   8.510
  627    HB3  PRO  77           HB3      PRO  77  -4.752   2.639   9.409
  628    HG2  PRO  77           HG2      PRO  77  -5.057   3.123   6.462
  629    HG3  PRO  77           HG3      PRO  77  -4.129   1.847   7.282
  630    HD2  PRO  77           HD2      PRO  77  -6.602   1.382   6.363
  631    HD3  PRO  77           HD3      PRO  77  -6.053   0.684   7.904
  632    H    LYS  78           H        LYS  78  -6.609   5.909   9.740
  633    HA   LYS  78           HA       LYS  78  -7.763   7.191   7.418
  634    HB2  LYS  78           HB2      LYS  78  -6.997   8.215  10.142
  635    HB3  LYS  78           HB3      LYS  78  -7.513   9.288   8.846
  636    HG2  LYS  78           HG2      LYS  78  -9.118   7.044  10.061
  637    HG3  LYS  78           HG3      LYS  78  -9.374   8.775  10.303
  638    HD2  LYS  78           HD2      LYS  78  -9.856   9.036   7.915
  639    HD3  LYS  78           HD3      LYS  78  -9.596   7.309   7.673
  640    HE2  LYS  78           HE2      LYS  78 -11.966   7.767   7.804
  641    HE3  LYS  78           HE3      LYS  78 -11.461   6.833   9.210
  642    HZ1  LYS  78           HZ1      LYS  78 -12.971   8.668   9.765
  643    HZ2  LYS  78           HZ2      LYS  78 -11.836   9.778   9.178
  644    HZ3  LYS  78           HZ3      LYS  78 -11.466   8.825  10.534
  645    H    LEU  79           H        LEU  79  -6.200   6.968   5.881
  646    HA   LEU  79           HA       LEU  79  -3.623   8.242   6.336
  647    HB2  LEU  79           HB2      LEU  79  -4.730   6.729   3.969
  648    HB3  LEU  79           HB3      LEU  79  -3.124   7.430   4.026
  649    HG   LEU  79           HG       LEU  79  -4.139   5.249   5.850
  650   HD11  LEU  79          HD11      LEU  79  -3.846   4.491   3.544
  651   HD12  LEU  79          HD12      LEU  79  -2.627   3.795   4.610
  652   HD13  LEU  79          HD13      LEU  79  -2.203   5.130   3.536
  653   HD21  LEU  79          HD21      LEU  79  -1.393   6.461   5.548
  654   HD22  LEU  79          HD22      LEU  79  -1.814   5.095   6.582
  655   HD23  LEU  79          HD23      LEU  79  -2.483   6.692   6.915
  656    H    ASN  80           H        ASN  80  -3.316  10.307   5.858
  657    HA   ASN  80           HA       ASN  80  -5.240  11.797   4.370
  658    HB2  ASN  80           HB2      ASN  80  -4.029  13.733   4.866
  659    HB3  ASN  80           HB3      ASN  80  -3.696  12.693   6.237
  660   HD21  ASN  80          HD21      ASN  80  -1.703  11.042   4.984
  661   HD22  ASN  80          HD22      ASN  80  -0.310  12.037   4.720
  662    H    PHE  81           H        PHE  81  -3.501   9.578   3.258
  663    HA   PHE  81           HA       PHE  81  -2.301  10.855   0.940
  664    HB2  PHE  81           HB2      PHE  81  -2.453   7.919   1.673
  665    HB3  PHE  81           HB3      PHE  81  -1.494   8.613   0.372
  666    HD1  PHE  81           HD1      PHE  81   0.312  10.317   1.034
  667    HD2  PHE  81           HD2      PHE  81  -1.544   7.649   3.779
  668    HE1  PHE  81           HE1      PHE  81   2.205  10.591   2.579
  669    HE2  PHE  81           HE2      PHE  81   0.344   7.924   5.330
  670    HZ   PHE  81           HZ       PHE  81   2.221   9.394   4.730
  671    H    GLY  82           H        GLY  82  -5.313  10.283   1.756
  672    HA2  GLY  82           HA2      GLY  82  -6.486   8.685  -0.214
  673    HA3  GLY  82           HA3      GLY  82  -7.286  10.006   0.620
  674    H    MET  83           H        MET  83  -4.918  11.643  -0.575
  675    HA   MET  83           HA       MET  83  -6.279  12.655  -2.840
  676    HB2  MET  83           HB2      MET  83  -4.147  13.953  -3.207
  677    HB3  MET  83           HB3      MET  83  -4.909  14.183  -1.645
  678    HG2  MET  83           HG2      MET  83  -2.541  14.047  -1.349
  679    HG3  MET  83           HG3      MET  83  -3.273  12.610  -0.653
  680    HE1  MET  83           HE1      MET  83  -1.181  11.069  -0.575
  681    HE2  MET  83           HE2      MET  83  -0.269  12.530  -0.958
  682    HE3  MET  83           HE3      MET  83   0.040  11.037  -1.847
  683    H    LEU  84           H        LEU  84  -4.516   9.857  -2.483
  684    HA   LEU  84           HA       LEU  84  -3.479   9.908  -5.222
  685    HB2  LEU  84           HB2      LEU  84  -2.349   8.966  -2.949
  686    HB3  LEU  84           HB3      LEU  84  -3.091   7.499  -3.561
  687    HG   LEU  84           HG       LEU  84  -1.895   8.069  -5.782
  688   HD11  LEU  84          HD11      LEU  84  -1.266  10.343  -5.197
  689   HD12  LEU  84          HD12      LEU  84   0.167   9.357  -5.497
  690   HD13  LEU  84          HD13      LEU  84  -0.313   9.738  -3.840
  691   HD21  LEU  84          HD21      LEU  84  -0.333   7.229  -3.343
  692   HD22  LEU  84          HD22      LEU  84   0.162   6.968  -5.016
  693   HD23  LEU  84          HD23      LEU  84  -1.283   6.174  -4.390
  694    H    ARG  85           H        ARG  85  -6.361   9.322  -3.949
  695    HA   ARG  85           HA       ARG  85  -7.033   6.762  -5.028
  696    HB2  ARG  85           HB2      ARG  85  -8.779   9.093  -4.220
  697    HB3  ARG  85           HB3      ARG  85  -9.401   7.530  -4.728
  698    HG2  ARG  85           HG2      ARG  85  -8.344   6.459  -2.836
  699    HG3  ARG  85           HG3      ARG  85  -7.614   7.990  -2.348
  700    HD2  ARG  85           HD2      ARG  85 -10.576   7.442  -2.521
  701    HD3  ARG  85           HD3      ARG  85  -9.629   7.441  -1.035
  702    HE   ARG  85           HE       ARG  85  -9.137   9.894  -2.048
  703   HH11  ARG  85          HH11      ARG  85 -12.117   8.125  -1.468
  704   HH12  ARG  85          HH12      ARG  85 -13.051   9.567  -1.161
  705   HH21  ARG  85          HH21      ARG  85 -10.356  11.782  -1.624
  706   HH22  ARG  85          HH22      ARG  85 -12.040  11.636  -1.201
  707    H    LYS  86           H        LYS  86  -5.993   7.093  -7.118
  708    HA   LYS  86           HA       LYS  86  -6.010   7.420  -9.356
  709    HB2  LYS  86           HB2      LYS  86  -8.942   7.913  -8.854
  710    HB3  LYS  86           HB3      LYS  86  -8.230   7.872 -10.461
  711    HG2  LYS  86           HG2      LYS  86  -8.163   5.602  -8.483
  712    HG3  LYS  86           HG3      LYS  86  -9.299   5.751  -9.827
  713    HD2  LYS  86           HD2      LYS  86  -6.296   5.554 -10.045
  714    HD3  LYS  86           HD3      LYS  86  -7.454   4.275 -10.417
  715    HE2  LYS  86           HE2      LYS  86  -8.371   5.561 -12.226
  716    HE3  LYS  86           HE3      LYS  86  -7.382   6.954 -11.794
  717    HZ1  LYS  86           HZ1      LYS  86  -6.336   5.902 -13.608
  718    HZ2  LYS  86           HZ2      LYS  86  -6.479   4.363 -12.918
  719    HZ3  LYS  86           HZ3      LYS  86  -5.406   5.501 -12.246
  720    H    MET  87           H        MET  87  -6.148   9.756  -7.223
  721    HA   MET  87           HA       MET  87  -6.511  11.979  -9.107
  722    HB2  MET  87           HB2      MET  87  -6.195  12.073  -6.098
  723    HB3  MET  87           HB3      MET  87  -6.670  13.401  -7.146
  724    HG2  MET  87           HG2      MET  87  -8.778  12.447  -7.568
  725    HG3  MET  87           HG3      MET  87  -8.292  10.891  -6.901
  726    HE1  MET  87           HE1      MET  87 -11.019  12.132  -6.066
  727    HE2  MET  87           HE2      MET  87 -10.977  11.922  -4.315
  728    HE3  MET  87           HE3      MET  87 -10.366  10.649  -5.371
  729    H    GLY  88           H        GLY  88  -4.156  10.016  -7.962
  730    HA2  GLY  88           HA2      GLY  88  -2.109  12.126  -7.839
  731    HA3  GLY  88           HA3      GLY  88  -1.970  10.545  -7.079
  Start of MODEL    6
    1    H1   PHE   1           HT1      PHE   1  11.651 -13.975   4.944
    2    H2   PHE   1           HT2      PHE   1  12.789 -14.457   3.778
    3    H3   PHE   1           HT3      PHE   1  11.177 -14.185   3.334
    4    HA   PHE   1           HA       PHE   1  12.919 -12.075   4.455
    5    HB2  PHE   1           HB2      PHE   1  13.389 -11.297   2.256
    6    HB3  PHE   1           HB3      PHE   1  13.737 -13.020   2.231
    7    HD1  PHE   1           HD2      PHE   1  11.892 -14.569   1.295
    8    HD2  PHE   1           HD1      PHE   1  11.982 -10.357   0.677
    9    HE1  PHE   1           HE2      PHE   1  10.403 -14.823  -0.648
   10    HE2  PHE   1           HE1      PHE   1  10.492 -10.606  -1.264
   11    HZ   PHE   1           HZ       PHE   1   9.702 -12.838  -1.929
   12    H    LEU   2           H        LEU   2  11.871 -10.283   4.888
   13    HA   LEU   2           HA       LEU   2   9.370  -9.628   3.608
   14    HB2  LEU   2           HB2      LEU   2   8.704 -11.144   5.473
   15    HB3  LEU   2           HB3      LEU   2   9.474 -10.046   6.603
   16    HG   LEU   2           HG       LEU   2   7.880  -8.265   5.847
   17   HD11  LEU   2          HD11      LEU   2   6.545 -10.580   4.453
   18   HD12  LEU   2          HD12      LEU   2   7.312  -9.194   3.674
   19   HD13  LEU   2          HD13      LEU   2   5.862  -8.965   4.656
   20   HD21  LEU   2          HD21      LEU   2   5.976  -9.152   7.110
   21   HD22  LEU   2          HD22      LEU   2   7.511  -9.493   7.912
   22   HD23  LEU   2          HD23      LEU   2   6.677 -10.768   7.021
   23    H    LEU   3           H        LEU   3   9.117  -7.422   3.560
   24    HA   LEU   3           HA       LEU   3  11.215  -5.805   4.653
   25    HB2  LEU   3           HB2      LEU   3   8.757  -5.260   3.041
   26    HB3  LEU   3           HB3      LEU   3   9.537  -3.930   3.873
   27    HG   LEU   3           HG       LEU   3  10.313  -3.984   1.599
   28   HD11  LEU   3          HD11      LEU   3  12.719  -4.180   1.948
   29   HD12  LEU   3          HD12      LEU   3  12.434  -5.044   3.459
   30   HD13  LEU   3          HD13      LEU   3  11.940  -3.359   3.301
   31   HD21  LEU   3          HD21      LEU   3  11.481  -5.894   0.648
   32   HD22  LEU   3          HD22      LEU   3   9.836  -6.338   1.111
   33   HD23  LEU   3          HD23      LEU   3  11.199  -6.819   2.124
   34    HA   PRO   4           HA       PRO   4   9.375  -5.735   8.720
   35    HB2  PRO   4           HB2      PRO   4  11.355  -3.516   8.954
   36    HB3  PRO   4           HB3      PRO   4  11.074  -4.892  10.027
   37    HG2  PRO   4           HG2      PRO   4  13.178  -4.858   8.403
   38    HG3  PRO   4           HG3      PRO   4  12.269  -6.356   8.679
   39    HD2  PRO   4           HD2      PRO   4  12.246  -4.525   6.321
   40    HD3  PRO   4           HD3      PRO   4  12.115  -6.303   6.376
   41    HA   PRO   5           HA       PRO   5   6.282  -2.632   8.105
   42    HB2  PRO   5           HB2      PRO   5   6.166  -2.692  11.080
   43    HB3  PRO   5           HB3      PRO   5   4.869  -2.903   9.898
   44    HG2  PRO   5           HG2      PRO   5   5.852  -4.995  11.213
   45    HG3  PRO   5           HG3      PRO   5   5.409  -5.120   9.502
   46    HD2  PRO   5           HD2      PRO   5   8.111  -4.899  10.749
   47    HD3  PRO   5           HD3      PRO   5   7.592  -5.840   9.336
   48    H    SER   6           H        SER   6   6.794  -0.605   7.630
   49    HA   SER   6           HA       SER   6   7.465   1.551   7.795
   50    HB2  SER   6           HB2      SER   6   7.609   1.032  10.774
   51    HB3  SER   6           HB3      SER   6   7.563   2.612   9.990
   52    HG   SER   6           HG       SER   6   5.517   0.823   9.353
   53    H    THR   7           H        THR   7   9.347  -0.923   8.027
   54    HA   THR   7           HA       THR   7  11.811   0.662   8.292
   55    HB   THR   7           HB       THR   7  11.630  -2.276   8.983
   56    HG1  THR   7           HG1      THR   7  10.578  -0.267  10.358
   57   HG21  THR   7          HG21      THR   7  13.651  -0.140   9.681
   58   HG22  THR   7          HG22      THR   7  13.866  -1.429   8.494
   59   HG23  THR   7          HG23      THR   7  13.714  -1.821  10.207
   60    H    ALA   8           H        ALA   8  10.085   0.048   6.090
   61    HA   ALA   8           HA       ALA   8  11.338  -2.096   4.614
   62    HB1  ALA   8           HB1      ALA   8   9.618  -1.659   2.924
   63    HB2  ALA   8           HB2      ALA   8   9.072  -0.259   3.851
   64    HB3  ALA   8           HB3      ALA   8   8.919  -1.880   4.529
   65    H    CYS   9           H        CYS   9  13.437  -1.130   4.425
   66    HA   CYS   9           HA       CYS   9  13.656   1.024   2.494
   67    HB2  CYS   9           HB2      CYS   9  15.685  -0.646   3.965
   68    HB3  CYS   9           HB3      CYS   9  16.156   0.378   2.612
   69    H    CYS  10           H        CYS  10  12.541   0.131   0.790
   70    HA   CYS  10           HA       CYS  10  13.077  -2.490  -0.180
   71    HB2  CYS  10           HB2      CYS  10  11.622  -0.206  -1.531
   72    HB3  CYS  10           HB3      CYS  10  11.534  -1.907  -1.981
   73    H    THR  11           H        THR  11  14.889  -3.029  -1.184
   74    HA   THR  11           HA       THR  11  16.237  -1.134  -2.927
   75    HB   THR  11           HB       THR  11  17.828  -3.172  -3.190
   76    HG1  THR  11           HG1      THR  11  16.937  -4.031  -0.693
   77   HG21  THR  11          HG21      THR  11  18.974  -2.617  -1.102
   78   HG22  THR  11          HG22      THR  11  17.510  -1.841  -0.497
   79   HG23  THR  11          HG23      THR  11  18.361  -1.161  -1.885
   80    H    GLN  12           H        GLN  12  13.740  -3.202  -3.144
   81    HA   GLN  12           HA       GLN  12  14.066  -3.463  -6.022
   82    HB2  GLN  12           HB2      GLN  12  12.758  -5.704  -5.752
   83    HB3  GLN  12           HB3      GLN  12  14.499  -5.674  -5.554
   84    HG2  GLN  12           HG2      GLN  12  13.470  -7.077  -3.880
   85    HG3  GLN  12           HG3      GLN  12  14.234  -5.682  -3.129
   86   HE21  GLN  12          HE21      GLN  12  13.015  -4.295  -1.956
   87   HE22  GLN  12          HE22      GLN  12  11.329  -4.480  -1.671
   88    H    LEU  13           H        LEU  13  12.027  -3.704  -7.167
   89    HA   LEU  13           HA       LEU  13   9.715  -2.688  -5.667
   90    HB2  LEU  13           HB2      LEU  13  10.795  -1.541  -8.249
   91    HB3  LEU  13           HB3      LEU  13   9.235  -1.133  -7.562
   92    HG   LEU  13           HG       LEU  13  11.883  -0.611  -6.209
   93   HD11  LEU  13          HD11      LEU  13  11.629   0.724  -8.239
   94   HD12  LEU  13          HD12      LEU  13  11.510   1.726  -6.791
   95   HD13  LEU  13          HD13      LEU  13  10.052   1.280  -7.679
   96   HD21  LEU  13          HD21      LEU  13   9.091   0.327  -5.553
   97   HD22  LEU  13          HD22      LEU  13  10.566   0.761  -4.689
   98   HD23  LEU  13          HD23      LEU  13   9.993  -0.906  -4.672
   99    H    TYR  14           H        TYR  14   7.911  -3.780  -6.135
  100    HA   TYR  14           HA       TYR  14   8.026  -5.975  -7.941
  101    HB2  TYR  14           HB2      TYR  14   6.659  -5.791  -5.785
  102    HB3  TYR  14           HB3      TYR  14   5.509  -4.841  -6.716
  103    HD1  TYR  14           HD1      TYR  14   7.414  -7.982  -7.440
  104    HD2  TYR  14           HD2      TYR  14   3.617  -6.087  -7.134
  105    HE1  TYR  14           HE1      TYR  14   6.323 -10.060  -8.173
  106    HE2  TYR  14           HE2      TYR  14   2.518  -8.160  -7.867
  107    HH   TYR  14           HH       TYR  14   4.148 -11.152  -8.032
  108    H    ARG  15           H        ARG  15   6.200  -2.929  -7.946
  109    HA   ARG  15           HA       ARG  15   5.403  -1.606  -9.615
  110    HB2  ARG  15           HB2      ARG  15   7.393  -3.109 -11.331
  111    HB3  ARG  15           HB3      ARG  15   6.602  -1.598 -11.758
  112    HG2  ARG  15           HG2      ARG  15   7.737  -0.445  -9.970
  113    HG3  ARG  15           HG3      ARG  15   8.445  -1.959  -9.403
  114    HD2  ARG  15           HD2      ARG  15   8.967  -0.595 -12.040
  115    HD3  ARG  15           HD3      ARG  15  10.081  -0.723 -10.680
  116    HE   ARG  15           HE       ARG  15   9.200  -3.278 -11.629
  117   HH11  ARG  15          HH11      ARG  15  11.515  -0.708 -12.154
  118   HH12  ARG  15          HH12      ARG  15  12.658  -1.736 -12.967
  119   HH21  ARG  15          HH21      ARG  15  10.672  -4.622 -12.714
  120   HH22  ARG  15          HH22      ARG  15  12.168  -3.960 -13.309
  121    H    LYS  16           H        LYS  16   4.372  -4.430  -9.192
  122    HA   LYS  16           HA       LYS  16   3.019  -4.777 -11.781
  123    HB2  LYS  16           HB2      LYS  16   4.598  -6.555 -11.536
  124    HB3  LYS  16           HB3      LYS  16   4.126  -6.833  -9.869
  125    HG2  LYS  16           HG2      LYS  16   2.038  -7.780 -10.552
  126    HG3  LYS  16           HG3      LYS  16   2.328  -7.315 -12.232
  127    HD2  LYS  16           HD2      LYS  16   4.147  -8.832 -12.424
  128    HD3  LYS  16           HD3      LYS  16   4.139  -9.163 -10.692
  129    HE2  LYS  16           HE2      LYS  16   1.879  -9.836 -12.568
  130    HE3  LYS  16           HE3      LYS  16   3.141 -10.967 -12.082
  131    HZ1  LYS  16           HZ1      LYS  16   1.258 -11.310 -10.699
  132    HZ2  LYS  16           HZ2      LYS  16   1.132  -9.667 -10.335
  133    HZ3  LYS  16           HZ3      LYS  16   2.444 -10.561  -9.747
  134    HA   PRO  17           HA       PRO  17  -0.763  -4.098  -9.565
  135    HB2  PRO  17           HB2      PRO  17  -2.318  -5.828 -11.111
  136    HB3  PRO  17           HB3      PRO  17  -2.021  -4.119 -11.445
  137    HG2  PRO  17           HG2      PRO  17  -0.685  -6.534 -12.581
  138    HG3  PRO  17           HG3      PRO  17  -1.112  -5.005 -13.373
  139    HD2  PRO  17           HD2      PRO  17   1.410  -5.530 -12.663
  140    HD3  PRO  17           HD3      PRO  17   0.734  -3.895 -12.505
  141    H    LEU  18           H        LEU  18  -1.399  -4.965  -7.722
  142    HA   LEU  18           HA       LEU  18  -0.696  -7.701  -7.107
  143    HB2  LEU  18           HB2      LEU  18  -1.977  -5.575  -5.383
  144    HB3  LEU  18           HB3      LEU  18  -1.384  -7.125  -4.818
  145    HG   LEU  18           HG       LEU  18   0.284  -4.876  -5.943
  146   HD11  LEU  18          HD11      LEU  18  -0.477  -4.452  -3.679
  147   HD12  LEU  18          HD12      LEU  18   1.248  -4.817  -3.686
  148   HD13  LEU  18          HD13      LEU  18   0.090  -6.041  -3.167
  149   HD21  LEU  18          HD21      LEU  18   1.142  -7.579  -4.923
  150   HD22  LEU  18          HD22      LEU  18   2.210  -6.266  -5.422
  151   HD23  LEU  18          HD23      LEU  18   1.168  -7.053  -6.607
  152    H    SER  19           H        SER  19  -2.091  -9.349  -6.702
  153    HA   SER  19           HA       SER  19  -4.596  -9.345  -7.968
  154    HB2  SER  19           HB2      SER  19  -3.605 -11.288  -5.870
  155    HB3  SER  19           HB3      SER  19  -4.831 -11.591  -7.101
  156    HG   SER  19           HG       SER  19  -3.048 -11.036  -8.637
  157    H    ASP  20           H        ASP  20  -6.690  -9.210  -7.172
  158    HA   ASP  20           HA       ASP  20  -6.978  -7.477  -4.964
  159    HB2  ASP  20           HB2      ASP  20  -8.534  -7.601  -6.957
  160    HB3  ASP  20           HB3      ASP  20  -9.249  -9.016  -6.185
  161    H    LYS  21           H        LYS  21  -7.136 -10.906  -5.283
  162    HA   LYS  21           HA       LYS  21  -8.480 -11.631  -2.944
  163    HB2  LYS  21           HB2      LYS  21  -6.159 -12.946  -4.349
  164    HB3  LYS  21           HB3      LYS  21  -7.008 -13.673  -2.994
  165    HG2  LYS  21           HG2      LYS  21  -9.049 -13.765  -4.265
  166    HG3  LYS  21           HG3      LYS  21  -8.281 -12.912  -5.610
  167    HD2  LYS  21           HD2      LYS  21  -6.726 -14.719  -5.925
  168    HD3  LYS  21           HD3      LYS  21  -7.354 -15.555  -4.506
  169    HE2  LYS  21           HE2      LYS  21  -9.534 -15.777  -5.619
  170    HE3  LYS  21           HE3      LYS  21  -8.875 -14.974  -7.046
  171    HZ1  LYS  21           HZ1      LYS  21  -8.895 -17.425  -7.212
  172    HZ2  LYS  21           HZ2      LYS  21  -7.813 -17.505  -5.910
  173    HZ3  LYS  21           HZ3      LYS  21  -7.338 -16.765  -7.358
  174    H    LEU  22           H        LEU  22  -5.001 -11.035  -3.446
  175    HA   LEU  22           HA       LEU  22  -4.442 -11.241  -0.655
  176    HB2  LEU  22           HB2      LEU  22  -2.207 -10.458  -1.184
  177    HB3  LEU  22           HB3      LEU  22  -2.707 -11.704  -2.304
  178    HG   LEU  22           HG       LEU  22  -3.334  -9.647  -3.828
  179   HD11  LEU  22          HD11      LEU  22  -1.208  -8.503  -2.022
  180   HD12  LEU  22          HD12      LEU  22  -2.865  -7.922  -2.187
  181   HD13  LEU  22          HD13      LEU  22  -1.748  -7.797  -3.545
  182   HD21  LEU  22          HD21      LEU  22  -1.726 -11.359  -4.412
  183   HD22  LEU  22          HD22      LEU  22  -0.518 -10.614  -3.364
  184   HD23  LEU  22          HD23      LEU  22  -1.082  -9.764  -4.803
  185    H    LEU  23           H        LEU  23  -5.458  -8.717  -2.777
  186    HA   LEU  23           HA       LEU  23  -4.762  -6.459  -1.293
  187    HB2  LEU  23           HB2      LEU  23  -6.960  -7.034  -3.231
  188    HB3  LEU  23           HB3      LEU  23  -6.863  -5.476  -2.452
  189    HG   LEU  23           HG       LEU  23  -4.820  -6.722  -4.297
  190   HD11  LEU  23          HD11      LEU  23  -6.528  -4.250  -4.542
  191   HD12  LEU  23          HD12      LEU  23  -6.720  -5.754  -5.448
  192   HD13  LEU  23          HD13      LEU  23  -5.285  -4.754  -5.690
  193   HD21  LEU  23          HD21      LEU  23  -3.553  -4.621  -4.030
  194   HD22  LEU  23          HD22      LEU  23  -3.626  -5.566  -2.542
  195   HD23  LEU  23          HD23      LEU  23  -4.654  -4.146  -2.736
  196    H    ARG  24           H        ARG  24  -7.622  -8.550  -1.024
  197    HA   ARG  24           HA       ARG  24  -8.915  -6.873   0.878
  198    HB2  ARG  24           HB2      ARG  24 -10.440  -8.789   1.231
  199    HB3  ARG  24           HB3      ARG  24 -10.253  -8.356  -0.460
  200    HG2  ARG  24           HG2      ARG  24  -8.480 -10.228  -0.505
  201    HG3  ARG  24           HG3      ARG  24  -9.243 -10.757   0.997
  202    HD2  ARG  24           HD2      ARG  24 -10.208 -11.923  -0.913
  203    HD3  ARG  24           HD3      ARG  24 -11.406 -10.878  -0.149
  204    HE   ARG  24           HE       ARG  24 -10.122  -9.494  -2.244
  205   HH11  ARG  24          HH11      ARG  24 -12.437 -12.084  -1.748
  206   HH12  ARG  24          HH12      ARG  24 -13.274 -11.784  -3.248
  207   HH21  ARG  24          HH21      ARG  24 -11.219  -9.091  -4.193
  208   HH22  ARG  24          HH22      ARG  24 -12.574 -10.094  -4.641
  209    H    LYS  25           H        LYS  25  -6.124  -8.422   1.222
  210    HA   LYS  25           HA       LYS  25  -6.539  -8.870   4.097
  211    HB2  LYS  25           HB2      LYS  25  -4.489 -10.121   2.296
  212    HB3  LYS  25           HB3      LYS  25  -4.596 -10.367   4.030
  213    HG2  LYS  25           HG2      LYS  25  -6.813 -11.369   3.756
  214    HG3  LYS  25           HG3      LYS  25  -6.692 -11.142   2.011
  215    HD2  LYS  25           HD2      LYS  25  -4.810 -12.801   3.684
  216    HD3  LYS  25           HD3      LYS  25  -6.136 -13.435   2.706
  217    HE2  LYS  25           HE2      LYS  25  -5.108 -12.584   0.696
  218    HE3  LYS  25           HE3      LYS  25  -3.832 -11.821   1.642
  219    HZ1  LYS  25           HZ1      LYS  25  -4.329 -14.744   1.477
  220    HZ2  LYS  25           HZ2      LYS  25  -3.077 -13.991   2.339
  221    HZ3  LYS  25           HZ3      LYS  25  -3.109 -13.909   0.646
  222    H    VAL  26           H        VAL  26  -5.515  -6.589   2.093
  223    HA   VAL  26           HA       VAL  26  -2.994  -5.930   3.380
  224    HB   VAL  26           HB       VAL  26  -4.606  -4.202   1.488
  225   HG11  VAL  26          HG11      VAL  26  -2.475  -3.077   1.098
  226   HG12  VAL  26          HG12      VAL  26  -1.688  -4.160   2.246
  227   HG13  VAL  26          HG13      VAL  26  -2.914  -3.022   2.806
  228   HG21  VAL  26          HG21      VAL  26  -2.352  -6.092   0.819
  229   HG22  VAL  26          HG22      VAL  26  -3.195  -5.026  -0.305
  230   HG23  VAL  26          HG23      VAL  26  -4.054  -6.370   0.454
  231    H    ILE  27           H        ILE  27  -3.190  -5.288   5.434
  232    HA   ILE  27           HA       ILE  27  -5.667  -4.139   6.343
  233    HB   ILE  27           HB       ILE  27  -4.685  -4.299   8.597
  234   HG12  ILE  27          HG12      ILE  27  -2.282  -5.469   7.170
  235   HG13  ILE  27          HG13      ILE  27  -2.323  -3.885   7.937
  236   HG21  ILE  27          HG21      ILE  27  -4.559  -6.761   8.651
  237   HG22  ILE  27          HG22      ILE  27  -4.441  -6.777   6.890
  238   HG23  ILE  27          HG23      ILE  27  -5.905  -6.178   7.673
  239   HD11  ILE  27          HD11      ILE  27  -2.699  -4.944  10.103
  240   HD12  ILE  27          HD12      ILE  27  -1.215  -5.520   9.345
  241   HD13  ILE  27          HD13      ILE  27  -2.661  -6.530   9.334
  242    H    GLN  28           H        GLN  28  -2.511  -2.947   5.539
  243    HA   GLN  28           HA       GLN  28  -3.354  -0.243   6.208
  244    HB2  GLN  28           HB2      GLN  28  -0.966  -1.595   7.444
  245    HB3  GLN  28           HB3      GLN  28  -1.037   0.150   7.262
  246    HG2  GLN  28           HG2      GLN  28  -3.072  -1.484   8.761
  247    HG3  GLN  28           HG3      GLN  28  -1.698  -0.665   9.503
  248   HE21  GLN  28          HE21      GLN  28  -4.796  -0.274   7.980
  249   HE22  GLN  28          HE22      GLN  28  -5.015   1.395   8.403
  250    H    VAL  29           H        VAL  29  -2.073   1.389   5.208
  251    HA   VAL  29           HA       VAL  29  -0.312   0.423   3.049
  252    HB   VAL  29           HB       VAL  29  -1.908   2.987   3.040
  253   HG11  VAL  29          HG11      VAL  29   0.130   3.057   1.704
  254   HG12  VAL  29          HG12      VAL  29  -1.305   3.094   0.680
  255   HG13  VAL  29          HG13      VAL  29  -0.377   1.603   0.844
  256   HG21  VAL  29          HG21      VAL  29  -3.361   1.912   1.376
  257   HG22  VAL  29          HG22      VAL  29  -3.441   1.108   2.944
  258   HG23  VAL  29          HG23      VAL  29  -2.506   0.389   1.631
  259    H    GLU  30           H        GLU  30   1.743   1.114   3.180
  260    HA   GLU  30           HA       GLU  30   2.290   3.379   4.979
  261    HB2  GLU  30           HB2      GLU  30   4.397   2.266   5.602
  262    HB3  GLU  30           HB3      GLU  30   2.992   1.297   6.024
  263    HG2  GLU  30           HG2      GLU  30   3.379   0.075   3.821
  264    HG3  GLU  30           HG3      GLU  30   4.957   0.870   3.809
  265    H    LEU  31           H        LEU  31   3.950   4.780   4.398
  266    HA   LEU  31           HA       LEU  31   4.811   4.548   1.598
  267    HB2  LEU  31           HB2      LEU  31   3.344   6.423   1.831
  268    HB3  LEU  31           HB3      LEU  31   4.182   6.978   3.267
  269    HG   LEU  31           HG       LEU  31   6.174   7.476   1.874
  270   HD11  LEU  31          HD11      LEU  31   4.350   6.760  -0.413
  271   HD12  LEU  31          HD12      LEU  31   5.820   5.913   0.069
  272   HD13  LEU  31          HD13      LEU  31   5.918   7.556  -0.563
  273   HD21  LEU  31          HD21      LEU  31   4.612   9.241   2.404
  274   HD22  LEU  31          HD22      LEU  31   3.606   8.799   1.025
  275   HD23  LEU  31          HD23      LEU  31   5.224   9.450   0.764
  276    H    GLN  32           H        GLN  32   6.905   4.335   1.264
  277    HA   GLN  32           HA       GLN  32   8.819   4.928   3.370
  278    HB2  GLN  32           HB2      GLN  32   8.973   2.947   1.732
  279    HB3  GLN  32           HB3      GLN  32   9.417   4.134   0.516
  280    HG2  GLN  32           HG2      GLN  32  11.297   4.814   2.080
  281    HG3  GLN  32           HG3      GLN  32  10.931   3.345   2.983
  282   HE21  GLN  32          HE21      GLN  32  10.172   1.962   0.458
  283   HE22  GLN  32          HE22      GLN  32  11.660   1.578  -0.324
  284    H    GLU  33           H        GLU  33   9.025   7.108   3.637
  285    HA   GLU  33           HA       GLU  33   8.715   9.011   1.599
  286    HB2  GLU  33           HB2      GLU  33  10.201   9.200   4.225
  287    HB3  GLU  33           HB3      GLU  33   9.921  10.571   3.162
  288    HG2  GLU  33           HG2      GLU  33   7.474  10.137   3.375
  289    HG3  GLU  33           HG3      GLU  33   7.856   8.920   4.592
  290    H    ALA  34           H        ALA  34  10.295  10.366   0.595
  291    HA   ALA  34           HA       ALA  34  12.234   8.763  -0.728
  292    HB1  ALA  34           HB1      ALA  34  12.728  10.789  -2.002
  293    HB2  ALA  34           HB2      ALA  34  11.768  11.737  -0.865
  294    HB3  ALA  34           HB3      ALA  34  10.992  10.516  -1.871
  295    H    ASP  35           H        ASP  35  12.446  10.016   2.232
  296    HA   ASP  35           HA       ASP  35  15.255   9.777   2.408
  297    HB2  ASP  35           HB2      ASP  35  15.055  12.078   1.393
  298    HB3  ASP  35           HB3      ASP  35  14.206  12.581   2.851
  299    H    GLY  36           H        GLY  36  12.253  10.969   3.745
  300    HA2  GLY  36           HA2      GLY  36  12.881  11.118   6.441
  301    HA3  GLY  36           HA3      GLY  36  11.290  10.736   5.805
  302    H    ASP  37           H        ASP  37  11.449   8.290   4.780
  303    HA   ASP  37           HA       ASP  37  11.969   6.654   7.119
  304    HB2  ASP  37           HB2      ASP  37  10.746   5.976   4.438
  305    HB3  ASP  37           HB3      ASP  37  10.952   4.819   5.749
  306    H    CYS  38           H        CYS  38  13.029   6.832   3.751
  307    HA   CYS  38           HA       CYS  38  15.596   5.738   4.458
  308    HB2  CYS  38           HB2      CYS  38  13.849   3.816   3.972
  309    HB3  CYS  38           HB3      CYS  38  14.155   4.247   2.296
  310    H    HIS  39           H        HIS  39  16.687   5.301   2.034
  311    HA   HIS  39           HA       HIS  39  16.715   7.988   0.981
  312    HB2  HIS  39           HB2      HIS  39  18.772   6.630   1.428
  313    HB3  HIS  39           HB3      HIS  39  18.315   5.577   0.098
  314    HD1  HIS  39           HD1      HIS  39  19.393   9.142   0.769
  315    HD2  HIS  39           HD2      HIS  39  19.077   6.451  -2.394
  316    HE1  HIS  39           HE1      HIS  39  20.566  10.233  -1.171
  317    HE2  HIS  39           HE2      HIS  39  20.553   8.499  -2.997
  318    H    LEU  40           H        LEU  40  14.523   5.788   0.430
  319    HA   LEU  40           HA       LEU  40  14.356   6.344  -2.446
  320    HB2  LEU  40           HB2      LEU  40  15.341   4.039  -1.869
  321    HB3  LEU  40           HB3      LEU  40  13.738   3.630  -1.292
  322    HG   LEU  40           HG       LEU  40  13.993   4.665  -4.073
  323   HD11  LEU  40          HD11      LEU  40  14.534   2.445  -4.911
  324   HD12  LEU  40          HD12      LEU  40  14.688   1.844  -3.259
  325   HD13  LEU  40          HD13      LEU  40  15.823   3.050  -3.868
  326   HD21  LEU  40          HD21      LEU  40  11.790   4.176  -3.155
  327   HD22  LEU  40          HD22      LEU  40  12.301   2.531  -2.774
  328   HD23  LEU  40          HD23      LEU  40  12.187   3.052  -4.455
  329    H    GLN  41           H        GLN  41  12.311   6.873  -3.108
  330    HA   GLN  41           HA       GLN  41  10.215   6.809  -1.073
  331    HB2  GLN  41           HB2      GLN  41  10.537   8.913  -2.292
  332    HB3  GLN  41           HB3      GLN  41  10.225   8.090  -3.814
  333    HG2  GLN  41           HG2      GLN  41   7.956   7.633  -3.161
  334    HG3  GLN  41           HG3      GLN  41   8.248   8.296  -1.555
  335   HE21  GLN  41          HE21      GLN  41   7.787   9.025  -4.919
  336   HE22  GLN  41          HE22      GLN  41   7.459  10.712  -4.720
  337    H    ALA  42           H        ALA  42   8.799   5.222  -0.994
  338    HA   ALA  42           HA       ALA  42   7.845   3.960  -3.443
  339    HB1  ALA  42           HB1      ALA  42   9.743   2.569  -2.847
  340    HB2  ALA  42           HB2      ALA  42   8.236   1.692  -2.571
  341    HB3  ALA  42           HB3      ALA  42   9.117   2.386  -1.208
  342    H    PHE  43           H        PHE  43   5.764   3.294  -3.296
  343    HA   PHE  43           HA       PHE  43   4.394   3.642  -0.747
  344    HB2  PHE  43           HB2      PHE  43   3.522   3.413  -3.593
  345    HB3  PHE  43           HB3      PHE  43   2.395   2.919  -2.335
  346    HD1  PHE  43           HD1      PHE  43   1.463   4.518  -0.794
  347    HD2  PHE  43           HD2      PHE  43   4.161   5.735  -3.851
  348    HE1  PHE  43           HE1      PHE  43   0.800   6.862  -0.439
  349    HE2  PHE  43           HE2      PHE  43   3.502   8.082  -3.503
  350    HZ   PHE  43           HZ       PHE  43   1.819   8.646  -1.797
  351    H    VAL  44           H        VAL  44   4.263   1.971   0.585
  352    HA   VAL  44           HA       VAL  44   4.607  -0.707  -0.570
  353    HB   VAL  44           HB       VAL  44   5.280   0.278   2.206
  354   HG11  VAL  44          HG11      VAL  44   4.611  -2.074   2.227
  355   HG12  VAL  44          HG12      VAL  44   6.337  -1.898   2.535
  356   HG13  VAL  44          HG13      VAL  44   5.775  -2.421   0.948
  357   HG21  VAL  44          HG21      VAL  44   7.051  -0.479  -0.113
  358   HG22  VAL  44          HG22      VAL  44   7.603  -0.041   1.505
  359   HG23  VAL  44          HG23      VAL  44   6.776   1.151   0.499
  360    H    LEU  45           H        LEU  45   2.972  -2.081  -0.422
  361    HA   LEU  45           HA       LEU  45   0.660  -1.328   1.188
  362    HB2  LEU  45           HB2      LEU  45   1.002  -3.440  -0.941
  363    HB3  LEU  45           HB3      LEU  45  -0.492  -3.148  -0.065
  364    HG   LEU  45           HG       LEU  45   0.903  -1.232  -1.934
  365   HD11  LEU  45          HD11      LEU  45  -1.765  -2.624  -2.100
  366   HD12  LEU  45          HD12      LEU  45  -0.337  -2.993  -3.065
  367   HD13  LEU  45          HD13      LEU  45  -1.145  -1.437  -3.248
  368   HD21  LEU  45          HD21      LEU  45  -0.028  -0.017  -0.050
  369   HD22  LEU  45          HD22      LEU  45  -1.572  -0.841  -0.257
  370   HD23  LEU  45          HD23      LEU  45  -0.991   0.267  -1.497
  371    H    HIS  46           H        HIS  46   0.214  -2.239   3.050
  372    HA   HIS  46           HA       HIS  46   2.006  -4.403   3.890
  373    HB2  HIS  46           HB2      HIS  46   1.994  -2.152   5.090
  374    HB3  HIS  46           HB3      HIS  46   0.412  -2.616   5.713
  375    HD1  HIS  46           HD1      HIS  46   4.014  -3.115   6.196
  376    HD2  HIS  46           HD2      HIS  46   0.475  -4.895   7.466
  377    HE1  HIS  46           HE1      HIS  46   4.654  -4.624   8.118
  378    HE2  HIS  46           HE2      HIS  46   2.510  -5.785   8.785
  379    H    LEU  47           H        LEU  47   1.004  -6.248   3.459
  380    HA   LEU  47           HA       LEU  47  -1.769  -6.672   4.165
  381    HB2  LEU  47           HB2      LEU  47   0.361  -8.602   3.227
  382    HB3  LEU  47           HB3      LEU  47  -1.316  -9.024   3.500
  383    HG   LEU  47           HG       LEU  47  -1.851  -7.241   1.717
  384   HD11  LEU  47          HD11      LEU  47   1.047  -7.737   1.056
  385   HD12  LEU  47          HD12      LEU  47   0.373  -6.219   1.648
  386   HD13  LEU  47          HD13      LEU  47  -0.114  -6.846   0.072
  387   HD21  LEU  47          HD21      LEU  47  -0.438  -9.794   0.958
  388   HD22  LEU  47          HD22      LEU  47  -1.553  -8.881  -0.061
  389   HD23  LEU  47          HD23      LEU  47  -2.134  -9.648   1.418
  390    H    ALA  48           H        ALA  48  -2.289  -8.561   5.611
  391    HA   ALA  48           HA       ALA  48  -1.001  -8.146   8.121
  392    HB1  ALA  48           HB1      ALA  48  -3.385  -8.623   7.974
  393    HB2  ALA  48           HB2      ALA  48  -2.563  -9.812   8.985
  394    HB3  ALA  48           HB3      ALA  48  -3.036 -10.230   7.338
  395    H    GLN  49           H        GLN  49  -0.217 -10.083   5.492
  396    HA   GLN  49           HA       GLN  49   1.508 -11.761   7.191
  397    HB2  GLN  49           HB2      GLN  49   0.731 -12.773   4.501
  398    HB3  GLN  49           HB3      GLN  49   1.122 -13.664   5.958
  399    HG2  GLN  49           HG2      GLN  49  -1.084 -14.136   5.832
  400    HG3  GLN  49           HG3      GLN  49  -1.184 -12.642   6.761
  401   HE21  GLN  49          HE21      GLN  49  -2.060 -10.840   5.832
  402   HE22  GLN  49          HE22      GLN  49  -2.852 -10.840   4.299
  403    H    ARG  50           H        ARG  50   1.491  -9.279   5.002
  404    HA   ARG  50           HA       ARG  50   4.064 -10.030   3.842
  405    HB2  ARG  50           HB2      ARG  50   1.644  -9.337   2.175
  406    HB3  ARG  50           HB3      ARG  50   3.280  -9.485   1.558
  407    HG2  ARG  50           HG2      ARG  50   3.297 -11.843   2.134
  408    HG3  ARG  50           HG3      ARG  50   1.670 -11.701   2.804
  409    HD2  ARG  50           HD2      ARG  50   0.780 -11.098   0.656
  410    HD3  ARG  50           HD3      ARG  50   2.397 -11.060  -0.049
  411    HE   ARG  50           HE       ARG  50   1.199 -13.547   1.007
  412   HH11  ARG  50          HH11      ARG  50   2.845 -11.753  -1.506
  413   HH12  ARG  50          HH12      ARG  50   3.059 -13.127  -2.548
  414   HH21  ARG  50          HH21      ARG  50   1.456 -15.355  -0.358
  415   HH22  ARG  50          HH22      ARG  50   2.272 -15.189  -1.880
  416    H    SER  51           H        SER  51   5.163  -8.319   2.792
  417    HA   SER  51           HA       SER  51   3.914  -5.673   2.812
  418    HB2  SER  51           HB2      SER  51   6.827  -6.130   3.530
  419    HB3  SER  51           HB3      SER  51   5.935  -4.610   3.594
  420    HG   SER  51           HG       SER  51   6.277  -5.766   5.644
  421    H    ILE  52           H        ILE  52   4.001  -4.833   0.805
  422    HA   ILE  52           HA       ILE  52   5.942  -6.026  -1.072
  423    HB   ILE  52           HB       ILE  52   3.104  -5.165  -1.676
  424   HG12  ILE  52          HG12      ILE  52   4.341  -7.928  -1.587
  425   HG13  ILE  52          HG13      ILE  52   3.266  -7.258  -0.367
  426   HG21  ILE  52          HG21      ILE  52   3.485  -6.096  -3.899
  427   HG22  ILE  52          HG22      ILE  52   5.156  -6.467  -3.468
  428   HG23  ILE  52          HG23      ILE  52   4.621  -4.789  -3.562
  429   HD11  ILE  52          HD11      ILE  52   2.083  -8.782  -1.835
  430   HD12  ILE  52          HD12      ILE  52   2.551  -7.819  -3.238
  431   HD13  ILE  52          HD13      ILE  52   1.470  -7.138  -2.021
  432    H    CYS  53           H        CYS  53   7.037  -4.664  -2.428
  433    HA   CYS  53           HA       CYS  53   6.804  -1.829  -1.710
  434    HB2  CYS  53           HB2      CYS  53   9.064  -3.309  -3.074
  435    HB3  CYS  53           HB3      CYS  53   9.096  -1.626  -2.559
  436    H    ILE  54           H        ILE  54   5.919  -0.495  -3.055
  437    HA   ILE  54           HA       ILE  54   5.816  -1.181  -5.909
  438    HB   ILE  54           HB       ILE  54   3.717  -0.469  -3.995
  439   HG12  ILE  54          HG12      ILE  54   3.641  -1.675  -6.767
  440   HG13  ILE  54          HG13      ILE  54   3.819  -2.579  -5.267
  441   HG21  ILE  54          HG21      ILE  54   2.346   0.809  -5.569
  442   HG22  ILE  54          HG22      ILE  54   3.719   0.903  -6.672
  443   HG23  ILE  54          HG23      ILE  54   3.805   1.674  -5.089
  444   HD11  ILE  54          HD11      ILE  54   1.437  -0.924  -6.066
  445   HD12  ILE  54          HD12      ILE  54   1.607  -1.824  -4.558
  446   HD13  ILE  54          HD13      ILE  54   1.545  -2.684  -6.097
  447    H    HIS  55           H        HIS  55   6.222   0.418  -7.374
  448    HA   HIS  55           HA       HIS  55   7.602   2.769  -6.448
  449    HB2  HIS  55           HB2      HIS  55   8.377   1.625  -8.467
  450    HB3  HIS  55           HB3      HIS  55   6.807   1.853  -9.231
  451    HD1  HIS  55           HD1      HIS  55   6.665   3.780 -10.752
  452    HD2  HIS  55           HD2      HIS  55   9.695   4.256  -7.939
  453    HE1  HIS  55           HE1      HIS  55   7.770   5.972 -11.310
  454    HE2  HIS  55           HE2      HIS  55   9.506   6.313  -9.514
  455    HA   PRO  56           HA       PRO  56   4.186   5.432  -5.603
  456    HB2  PRO  56           HB2      PRO  56   5.851   7.293  -7.263
  457    HB3  PRO  56           HB3      PRO  56   4.989   7.610  -5.753
  458    HG2  PRO  56           HG2      PRO  56   7.613   7.130  -5.758
  459    HG3  PRO  56           HG3      PRO  56   6.570   6.517  -4.463
  460    HD2  PRO  56           HD2      PRO  56   7.925   5.049  -6.634
  461    HD3  PRO  56           HD3      PRO  56   7.326   4.457  -5.075
  462    H    GLN  57           H        GLN  57   5.443   5.782  -8.947
  463    HA   GLN  57           HA       GLN  57   2.810   6.423  -9.929
  464    HB2  GLN  57           HB2      GLN  57   5.449   5.997 -11.323
  465    HB3  GLN  57           HB3      GLN  57   3.955   6.339 -12.186
  466    HG2  GLN  57           HG2      GLN  57   5.288   8.102 -10.144
  467    HG3  GLN  57           HG3      GLN  57   5.227   8.366 -11.887
  468   HE21  GLN  57          HE21      GLN  57   3.432   8.438  -8.909
  469   HE22  GLN  57          HE22      GLN  57   2.067   9.313  -9.518
  470    H    ASN  58           H        ASN  58   2.484   4.146  -8.715
  471    HA   ASN  58           HA       ASN  58   2.210   2.134 -10.857
  472    HB2  ASN  58           HB2      ASN  58   2.994   1.912  -8.080
  473    HB3  ASN  58           HB3      ASN  58   1.549   0.960  -8.392
  474   HD21  ASN  58          HD21      ASN  58   2.151   0.295 -11.101
  475   HD22  ASN  58          HD22      ASN  58   3.463  -0.823 -11.069
  476    HA   PRO  59           HA       PRO  59  -2.110   3.475 -10.709
  477    HB2  PRO  59           HB2      PRO  59  -2.270   1.060 -12.452
  478    HB3  PRO  59           HB3      PRO  59  -2.942   2.676 -12.705
  479    HG2  PRO  59           HG2      PRO  59  -0.790   1.884 -14.051
  480    HG3  PRO  59           HG3      PRO  59  -0.924   3.545 -13.445
  481    HD2  PRO  59           HD2      PRO  59   0.681   1.260 -12.379
  482    HD3  PRO  59           HD3      PRO  59   1.088   2.988 -12.455
  483    H    SER  60           H        SER  60  -0.672   0.362 -10.184
  484    HA   SER  60           HA       SER  60  -2.668  -1.118  -9.015
  485    HB2  SER  60           HB2      SER  60   0.167  -0.962  -7.986
  486    HB3  SER  60           HB3      SER  60  -0.903  -2.355  -7.998
  487    HG   SER  60           HG       SER  60   0.578  -2.505  -9.698
  488    H    LEU  61           H        LEU  61  -0.681   1.444  -7.566
  489    HA   LEU  61           HA       LEU  61  -1.639   1.016  -4.901
  490    HB2  LEU  61           HB2      LEU  61   0.538   2.222  -5.904
  491    HB3  LEU  61           HB3      LEU  61  -0.478   3.634  -5.724
  492    HG   LEU  61           HG       LEU  61   0.950   3.444  -3.801
  493   HD11  LEU  61          HD11      LEU  61  -0.667   3.361  -1.989
  494   HD12  LEU  61          HD12      LEU  61  -1.845   2.610  -3.065
  495   HD13  LEU  61          HD13      LEU  61  -1.298   4.257  -3.372
  496   HD21  LEU  61          HD21      LEU  61  -0.188   0.678  -3.429
  497   HD22  LEU  61          HD22      LEU  61   0.884   1.511  -2.298
  498   HD23  LEU  61          HD23      LEU  61   1.463   1.078  -3.909
  499    H    SER  62           H        SER  62  -2.414   3.235  -7.543
  500    HA   SER  62           HA       SER  62  -4.236   4.855  -6.069
  501    HB2  SER  62           HB2      SER  62  -3.072   5.457  -8.259
  502    HB3  SER  62           HB3      SER  62  -4.247   4.412  -9.060
  503    HG   SER  62           HG       SER  62  -4.669   6.819  -8.790
  504    H    GLN  63           H        GLN  63  -4.536   2.109  -8.224
  505    HA   GLN  63           HA       GLN  63  -7.330   1.866  -8.228
  506    HB2  GLN  63           HB2      GLN  63  -5.750   0.739  -9.797
  507    HB3  GLN  63           HB3      GLN  63  -5.257  -0.321  -8.485
  508    HG2  GLN  63           HG2      GLN  63  -7.544  -1.164  -8.328
  509    HG3  GLN  63           HG3      GLN  63  -8.006  -0.120  -9.671
  510   HE21  GLN  63          HE21      GLN  63  -6.224  -2.957  -8.733
  511   HE22  GLN  63          HE22      GLN  63  -5.997  -3.583 -10.327
  512    H    TRP  64           H        TRP  64  -4.864   0.883  -5.963
  513    HA   TRP  64           HA       TRP  64  -6.524  -0.824  -4.421
  514    HB2  TRP  64           HB2      TRP  64  -4.119  -1.044  -4.237
  515    HB3  TRP  64           HB3      TRP  64  -3.971   0.623  -3.690
  516    HD1  TRP  64           HD1      TRP  64  -3.211   0.456  -1.250
  517    HE1  TRP  64           HE1      TRP  64  -4.042  -0.768   0.849
  518    HE3  TRP  64           HE3      TRP  64  -6.879  -2.424  -3.359
  519    HZ2  TRP  64           HZ2      TRP  64  -5.989  -2.683   1.533
  520    HZ3  TRP  64           HZ3      TRP  64  -8.182  -3.913  -1.908
  521    HH2  TRP  64           HH2      TRP  64  -7.742  -4.040   0.487
  522    H    PHE  65           H        PHE  65  -5.786   2.651  -4.272
  523    HA   PHE  65           HA       PHE  65  -7.121   3.240  -1.903
  524    HB2  PHE  65           HB2      PHE  65  -6.608   4.811  -4.399
  525    HB3  PHE  65           HB3      PHE  65  -7.714   5.465  -3.195
  526    HD1  PHE  65           HD1      PHE  65  -6.892   5.898  -0.896
  527    HD2  PHE  65           HD2      PHE  65  -4.268   4.849  -4.074
  528    HE1  PHE  65           HE1      PHE  65  -4.989   6.769   0.393
  529    HE2  PHE  65           HE2      PHE  65  -2.361   5.719  -2.786
  530    HZ   PHE  65           HZ       PHE  65  -2.721   6.682  -0.550
  531    H    GLU  66           H        GLU  66  -8.421   2.749  -5.149
  532    HA   GLU  66           HA       GLU  66 -11.131   3.257  -4.461
  533    HB2  GLU  66           HB2      GLU  66 -10.021   1.505  -6.658
  534    HB3  GLU  66           HB3      GLU  66 -11.683   2.060  -6.535
  535    HG2  GLU  66           HG2      GLU  66 -10.887   4.380  -6.739
  536    HG3  GLU  66           HG3      GLU  66  -9.249   3.766  -6.958
  537    H    HIS  67           H        HIS  67  -9.230   0.282  -4.775
  538    HA   HIS  67           HA       HIS  67 -11.443  -1.407  -4.232
  539    HB2  HIS  67           HB2      HIS  67  -8.492  -1.887  -4.485
  540    HB3  HIS  67           HB3      HIS  67  -9.574  -3.174  -3.963
  541    HD1  HIS  67           HD1      HIS  67  -9.669  -4.666  -5.968
  542    HD2  HIS  67           HD2      HIS  67 -10.243  -0.655  -6.949
  543    HE1  HIS  67           HE1      HIS  67 -10.286  -4.637  -8.406
  544    HE2  HIS  67           HE2      HIS  67 -10.802  -2.226  -8.933
  545    H    GLN  68           H        GLN  68  -8.978   0.024  -2.153
  546    HA   GLN  68           HA       GLN  68  -9.618  -1.629   0.100
  547    HB2  GLN  68           HB2      GLN  68  -8.278  -0.114   1.422
  548    HB3  GLN  68           HB3      GLN  68  -7.449  -0.445  -0.092
  549    HG2  GLN  68           HG2      GLN  68  -8.172   1.701  -0.981
  550    HG3  GLN  68           HG3      GLN  68  -9.040   2.038   0.515
  551   HE21  GLN  68          HE21      GLN  68  -7.821   3.912   0.825
  552   HE22  GLN  68          HE22      GLN  68  -6.181   3.854   1.363
  553    H    GLU  69           H        GLU  69 -10.810   1.352  -1.225
  554    HA   GLU  69           HA       GLU  69 -12.336   2.265   0.943
  555    HB2  GLU  69           HB2      GLU  69 -11.947   3.593  -1.086
  556    HB3  GLU  69           HB3      GLU  69 -12.919   2.464  -2.019
  557    HG2  GLU  69           HG2      GLU  69 -14.832   3.052  -0.474
  558    HG3  GLU  69           HG3      GLU  69 -13.820   4.376   0.107
  559    H    ARG  70           H        ARG  70 -12.841  -0.245  -1.404
  560    HA   ARG  70           HA       ARG  70 -15.416  -0.915  -0.151
  561    HB2  ARG  70           HB2      ARG  70 -15.894  -2.171  -2.238
  562    HB3  ARG  70           HB3      ARG  70 -15.649  -0.452  -2.519
  563    HG2  ARG  70           HG2      ARG  70 -13.428  -0.850  -3.349
  564    HG3  ARG  70           HG3      ARG  70 -13.541  -2.561  -2.931
  565    HD2  ARG  70           HD2      ARG  70 -13.910  -2.339  -5.281
  566    HD3  ARG  70           HD3      ARG  70 -15.438  -2.764  -4.518
  567    HE   ARG  70           HE       ARG  70 -15.476  -0.028  -4.661
  568   HH11  ARG  70          HH11      ARG  70 -14.984  -2.615  -6.973
  569   HH12  ARG  70          HH12      ARG  70 -15.776  -1.781  -8.281
  570   HH21  ARG  70          HH21      ARG  70 -16.493   1.096  -6.390
  571   HH22  ARG  70          HH22      ARG  70 -16.626   0.333  -7.949
  572    H    LYS  71           H        LYS  71 -12.844  -1.600   0.990
  573    HA   LYS  71           HA       LYS  71 -12.980  -4.535   0.770
  574    HB2  LYS  71           HB2      LYS  71 -10.954  -3.199  -0.352
  575    HB3  LYS  71           HB3      LYS  71 -10.332  -3.281   1.289
  576    HG2  LYS  71           HG2      LYS  71  -9.467  -5.132   0.047
  577    HG3  LYS  71           HG3      LYS  71 -10.628  -5.745   1.226
  578    HD2  LYS  71           HD2      LYS  71 -11.091  -6.891  -0.771
  579    HD3  LYS  71           HD3      LYS  71 -12.346  -5.656  -0.635
  580    HE2  LYS  71           HE2      LYS  71 -11.583  -5.660  -2.897
  581    HE3  LYS  71           HE3      LYS  71 -10.948  -4.208  -2.125
  582    HZ1  LYS  71           HZ1      LYS  71  -9.396  -6.712  -2.393
  583    HZ2  LYS  71           HZ2      LYS  71  -8.821  -5.185  -1.942
  584    HZ3  LYS  71           HZ3      LYS  71  -9.340  -5.464  -3.533
  585    H    LEU  72           H        LEU  72 -10.698  -4.697   2.636
  586    HA   LEU  72           HA       LEU  72 -11.687  -5.482   4.884
  587    HB2  LEU  72           HB2      LEU  72  -9.640  -4.327   6.111
  588    HB3  LEU  72           HB3      LEU  72  -9.491  -5.743   5.104
  589    HG   LEU  72           HG       LEU  72  -7.711  -3.978   4.839
  590   HD11  LEU  72          HD11      LEU  72  -7.306  -4.961   2.919
  591   HD12  LEU  72          HD12      LEU  72  -8.635  -4.108   2.137
  592   HD13  LEU  72          HD13      LEU  72  -8.934  -5.640   2.974
  593   HD21  LEU  72          HD21      LEU  72  -9.899  -2.475   3.408
  594   HD22  LEU  72          HD22      LEU  72  -8.182  -2.070   3.393
  595   HD23  LEU  72          HD23      LEU  72  -9.096  -1.978   4.899
  596    H    HIS  73           H        HIS  73 -13.503  -4.638   5.648
  597    HA   HIS  73           HA       HIS  73 -14.690  -3.603   7.242
  598    HB2  HIS  73           HB2      HIS  73 -12.077  -2.248   7.891
  599    HB3  HIS  73           HB3      HIS  73 -13.554  -1.987   8.811
  600    HD1  HIS  73           HD1      HIS  73 -13.396  -3.246  10.928
  601    HD2  HIS  73           HD2      HIS  73 -11.767  -5.380   7.749
  602    HE1  HIS  73           HE1      HIS  73 -12.640  -5.442  11.896
  603    HE2  HIS  73           HE2      HIS  73 -11.738  -6.757   9.943
  604    H    GLY  74           H        GLY  74 -12.640  -1.346   5.433
  605    HA2  GLY  74           HA2      GLY  74 -13.638   0.357   4.043
  606    HA3  GLY  74           HA3      GLY  74 -14.986   0.428   5.174
  607    H    THR  75           H        THR  75 -12.652   0.149   7.243
  608    HA   THR  75           HA       THR  75 -12.394   2.973   7.723
  609    HB   THR  75           HB       THR  75 -11.015   2.056   9.715
  610    HG1  THR  75           HG1      THR  75 -10.882  -0.092   8.756
  611   HG21  THR  75          HG21      THR  75 -13.274   3.009   9.904
  612   HG22  THR  75          HG22      THR  75 -13.051   1.646  11.002
  613   HG23  THR  75          HG23      THR  75 -13.965   1.437   9.508
  614    H    LEU  76           H        LEU  76 -10.453   4.050   7.868
  615    HA   LEU  76           HA       LEU  76  -8.107   2.766   6.718
  616    HB2  LEU  76           HB2      LEU  76  -9.499   5.194   5.613
  617    HB3  LEU  76           HB3      LEU  76  -7.822   4.826   5.251
  618    HG   LEU  76           HG       LEU  76 -10.194   3.077   4.608
  619   HD11  LEU  76          HD11      LEU  76 -10.028   5.062   3.187
  620   HD12  LEU  76          HD12      LEU  76  -9.678   3.585   2.291
  621   HD13  LEU  76          HD13      LEU  76  -8.360   4.641   2.797
  622   HD21  LEU  76          HD21      LEU  76  -8.198   1.797   5.202
  623   HD22  LEU  76          HD22      LEU  76  -7.265   2.692   4.001
  624   HD23  LEU  76          HD23      LEU  76  -8.586   1.639   3.487
  625    HA   PRO  77           HA       PRO  77  -6.059   5.226   9.675
  626    HB2  PRO  77           HB2      PRO  77  -3.552   4.938   8.919
  627    HB3  PRO  77           HB3      PRO  77  -4.549   3.509   9.243
  628    HG2  PRO  77           HG2      PRO  77  -3.836   4.736   6.604
  629    HG3  PRO  77           HG3      PRO  77  -3.799   3.029   7.088
  630    HD2  PRO  77           HD2      PRO  77  -5.899   4.248   5.743
  631    HD3  PRO  77           HD3      PRO  77  -6.032   2.758   6.698
  632    H    LYS  78           H        LYS  78  -4.050   6.883   9.719
  633    HA   LYS  78           HA       LYS  78  -5.106   9.238   8.414
  634    HB2  LYS  78           HB2      LYS  78  -2.675   9.044  10.189
  635    HB3  LYS  78           HB3      LYS  78  -3.610  10.484   9.816
  636    HG2  LYS  78           HG2      LYS  78  -5.504   9.607  11.053
  637    HG3  LYS  78           HG3      LYS  78  -4.616   8.117  11.383
  638    HD2  LYS  78           HD2      LYS  78  -3.905  10.895  12.323
  639    HD3  LYS  78           HD3      LYS  78  -4.512   9.569  13.315
  640    HE2  LYS  78           HE2      LYS  78  -1.886   9.606  11.827
  641    HE3  LYS  78           HE3      LYS  78  -2.091   9.850  13.559
  642    HZ1  LYS  78           HZ1      LYS  78  -2.912   7.609  13.775
  643    HZ2  LYS  78           HZ2      LYS  78  -1.408   7.582  12.992
  644    HZ3  LYS  78           HZ3      LYS  78  -2.828   7.368  12.098
  645    H    LEU  79           H        LEU  79  -4.417   8.114   6.262
  646    HA   LEU  79           HA       LEU  79  -1.647   8.879   5.667
  647    HB2  LEU  79           HB2      LEU  79  -1.488   7.237   4.037
  648    HB3  LEU  79           HB3      LEU  79  -2.367   6.452   5.332
  649    HG   LEU  79           HG       LEU  79  -3.795   7.687   2.993
  650   HD11  LEU  79          HD11      LEU  79  -2.140   6.116   2.136
  651   HD12  LEU  79          HD12      LEU  79  -3.778   5.493   1.940
  652   HD13  LEU  79          HD13      LEU  79  -2.746   4.875   3.229
  653   HD21  LEU  79          HD21      LEU  79  -5.280   7.174   4.760
  654   HD22  LEU  79          HD22      LEU  79  -4.492   5.628   5.072
  655   HD23  LEU  79          HD23      LEU  79  -5.434   5.855   3.599
  656    H    ASN  80           H        ASN  80  -4.253  10.367   5.678
  657    HA   ASN  80           HA       ASN  80  -5.421  11.915   4.470
  658    HB2  ASN  80           HB2      ASN  80  -2.673  12.266   3.256
  659    HB3  ASN  80           HB3      ASN  80  -4.007  13.391   3.026
  660   HD21  ASN  80          HD21      ASN  80  -1.529  12.287   5.128
  661   HD22  ASN  80          HD22      ASN  80  -1.773  13.464   6.377
  662    H    PHE  81           H        PHE  81  -6.114   9.557   3.493
  663    HA   PHE  81           HA       PHE  81  -5.269   8.980   0.865
  664    HB2  PHE  81           HB2      PHE  81  -7.150   7.374   0.804
  665    HB3  PHE  81           HB3      PHE  81  -6.151   7.214   2.238
  666    HD1  PHE  81           HD1      PHE  81  -7.006   7.968   4.425
  667    HD2  PHE  81           HD2      PHE  81  -9.445   7.955   0.938
  668    HE1  PHE  81           HE1      PHE  81  -9.018   8.098   5.835
  669    HE2  PHE  81           HE2      PHE  81 -11.459   8.089   2.340
  670    HZ   PHE  81           HZ       PHE  81 -11.247   8.161   4.792
  671    H    GLY  82           H        GLY  82  -7.476  11.296   2.010
  672    HA2  GLY  82           HA2      GLY  82  -9.321  11.482  -0.071
  673    HA3  GLY  82           HA3      GLY  82  -8.770  12.834   0.908
  674    H    MET  83           H        MET  83  -6.027  12.736   0.140
  675    HA   MET  83           HA       MET  83  -6.161  14.319  -2.218
  676    HB2  MET  83           HB2      MET  83  -3.755  14.518  -2.020
  677    HB3  MET  83           HB3      MET  83  -4.477  14.664  -0.421
  678    HG2  MET  83           HG2      MET  83  -3.937  12.286  -0.011
  679    HG3  MET  83           HG3      MET  83  -3.126  12.236  -1.574
  680    HE1  MET  83           HE1      MET  83  -0.177  12.083   0.985
  681    HE2  MET  83           HE2      MET  83  -0.961  11.298  -0.385
  682    HE3  MET  83           HE3      MET  83  -1.777  11.368   1.175
  683    H    LEU  84           H        LEU  84  -6.012  10.993  -1.754
  684    HA   LEU  84           HA       LEU  84  -4.883  10.601  -4.438
  685    HB2  LEU  84           HB2      LEU  84  -3.883   9.659  -1.920
  686    HB3  LEU  84           HB3      LEU  84  -4.325   8.295  -2.932
  687    HG   LEU  84           HG       LEU  84  -2.455  10.520  -3.756
  688   HD11  LEU  84          HD11      LEU  84  -0.687   8.867  -3.535
  689   HD12  LEU  84          HD12      LEU  84  -1.853   7.675  -2.964
  690   HD13  LEU  84          HD13      LEU  84  -1.506   9.104  -1.991
  691   HD21  LEU  84          HD21      LEU  84  -1.950   8.985  -5.637
  692   HD22  LEU  84          HD22      LEU  84  -3.603   9.597  -5.652
  693   HD23  LEU  84          HD23      LEU  84  -3.280   7.952  -5.103
  694    H    ARG  85           H        ARG  85  -7.698  10.669  -3.364
  695    HA   ARG  85           HA       ARG  85  -8.679   7.995  -3.681
  696    HB2  ARG  85           HB2      ARG  85 -10.121  10.650  -3.807
  697    HB3  ARG  85           HB3      ARG  85 -10.916   9.083  -3.834
  698    HG2  ARG  85           HG2      ARG  85 -10.024   8.593  -1.611
  699    HG3  ARG  85           HG3      ARG  85  -9.231  10.169  -1.588
  700    HD2  ARG  85           HD2      ARG  85 -11.493  11.206  -1.890
  701    HD3  ARG  85           HD3      ARG  85 -12.189   9.604  -1.653
  702    HE   ARG  85           HE       ARG  85 -10.424  10.327   0.467
  703   HH11  ARG  85          HH11      ARG  85 -13.668  10.739  -0.756
  704   HH12  ARG  85          HH12      ARG  85 -14.343  11.159   0.788
  705   HH21  ARG  85          HH21      ARG  85 -11.290  10.879   2.509
  706   HH22  ARG  85          HH22      ARG  85 -12.998  11.190   2.655
  707    H    LYS  86           H        LYS  86  -7.448   7.563  -5.638
  708    HA   LYS  86           HA       LYS  86  -7.231   7.197  -7.858
  709    HB2  LYS  86           HB2      LYS  86  -9.706   6.641  -7.543
  710    HB3  LYS  86           HB3      LYS  86 -10.043   8.232  -8.212
  711    HG2  LYS  86           HG2      LYS  86 -10.171   6.380  -9.861
  712    HG3  LYS  86           HG3      LYS  86  -9.017   7.647 -10.292
  713    HD2  LYS  86           HD2      LYS  86  -7.184   6.282  -9.437
  714    HD3  LYS  86           HD3      LYS  86  -8.331   5.025  -8.965
  715    HE2  LYS  86           HE2      LYS  86  -7.914   5.999 -11.784
  716    HE3  LYS  86           HE3      LYS  86  -7.163   4.556 -11.101
  717    HZ1  LYS  86           HZ1      LYS  86 -10.061   5.045 -11.518
  718    HZ2  LYS  86           HZ2      LYS  86  -9.446   3.732 -10.636
  719    HZ3  LYS  86           HZ3      LYS  86  -9.089   3.885 -12.288
  720    H    MET  87           H        MET  87  -6.896   9.906  -6.568
  721    HA   MET  87           HA       MET  87  -7.323  11.804  -8.692
  722    HB2  MET  87           HB2      MET  87  -5.714  12.079  -6.146
  723    HB3  MET  87           HB3      MET  87  -6.168  13.394  -7.219
  724    HG2  MET  87           HG2      MET  87  -8.079  11.660  -5.669
  725    HG3  MET  87           HG3      MET  87  -7.566  13.284  -5.214
  726    HE1  MET  87           HE1      MET  87 -10.584  12.342  -5.444
  727    HE2  MET  87           HE2      MET  87 -11.331  13.701  -6.284
  728    HE3  MET  87           HE3      MET  87 -10.152  13.992  -5.004
  729    H    GLY  88           H        GLY  88  -4.918   9.559  -7.833
  730    HA2  GLY  88           HA2      GLY  88  -2.933  10.923  -9.532
  731    HA3  GLY  88           HA3      GLY  88  -2.519   9.848  -8.204
  Start of MODEL    7
    1    H1   PHE   1           HT1      PHE   1   9.556 -13.714   5.476
    2    H2   PHE   1           HT2      PHE   1  11.033 -14.536   5.357
    3    H3   PHE   1           HT3      PHE   1  10.113 -14.234   3.963
    4    HA   PHE   1           HA       PHE   1  11.517 -12.248   5.656
    5    HB2  PHE   1           HB2      PHE   1  12.882 -13.537   4.006
    6    HB3  PHE   1           HB3      PHE   1  11.823 -12.961   2.726
    7    HD1  PHE   1           HD2      PHE   1  14.366 -11.963   5.188
    8    HD2  PHE   1           HD1      PHE   1  12.049 -10.779   1.823
    9    HE1  PHE   1           HE2      PHE   1  15.790  -9.977   4.913
   10    HE2  PHE   1           HE1      PHE   1  13.470  -8.790   1.537
   11    HZ   PHE   1           HZ       PHE   1  15.345  -8.384   3.087
   12    H    LEU   2           H        LEU   2  10.302 -10.548   5.973
   13    HA   LEU   2           HA       LEU   2   8.933  -9.339   3.695
   14    HB2  LEU   2           HB2      LEU   2   6.872  -9.026   4.791
   15    HB3  LEU   2           HB3      LEU   2   7.269 -10.714   5.036
   16    HG   LEU   2           HG       LEU   2   7.856  -8.630   7.131
   17   HD11  LEU   2          HD11      LEU   2   5.760  -9.253   8.207
   18   HD12  LEU   2          HD12      LEU   2   5.349 -10.276   6.829
   19   HD13  LEU   2          HD13      LEU   2   5.476  -8.528   6.624
   20   HD21  LEU   2          HD21      LEU   2   7.793 -10.561   8.631
   21   HD22  LEU   2          HD22      LEU   2   9.006 -10.764   7.369
   22   HD23  LEU   2          HD23      LEU   2   7.468 -11.619   7.257
   23    H    LEU   3           H        LEU   3   8.891  -7.115   3.790
   24    HA   LEU   3           HA       LEU   3  10.763  -5.820   5.422
   25    HB2  LEU   3           HB2      LEU   3   8.533  -4.833   3.665
   26    HB3  LEU   3           HB3      LEU   3   9.541  -3.727   4.576
   27    HG   LEU   3           HG       LEU   3  10.309  -3.892   2.294
   28   HD11  LEU   3          HD11      LEU   3  11.963  -3.501   4.026
   29   HD12  LEU   3          HD12      LEU   3  12.653  -4.443   2.704
   30   HD13  LEU   3          HD13      LEU   3  12.197  -5.239   4.212
   31   HD21  LEU   3          HD21      LEU   3   9.519  -6.115   1.726
   32   HD22  LEU   3          HD22      LEU   3  10.708  -6.831   2.815
   33   HD23  LEU   3          HD23      LEU   3  11.241  -5.959   1.375
   34    HA   PRO   4           HA       PRO   4   8.496  -5.667   9.268
   35    HB2  PRO   4           HB2      PRO   4  10.473  -3.481   9.703
   36    HB3  PRO   4           HB3      PRO   4  10.071  -4.859  10.732
   37    HG2  PRO   4           HG2      PRO   4  12.324  -4.813   9.303
   38    HG3  PRO   4           HG3      PRO   4  11.410  -6.313   9.540
   39    HD2  PRO   4           HD2      PRO   4  11.625  -4.590   7.128
   40    HD3  PRO   4           HD3      PRO   4  11.416  -6.354   7.250
   41    HA   PRO   5           HA       PRO   5   5.501  -2.543   8.510
   42    HB2  PRO   5           HB2      PRO   5   5.476  -2.297  11.485
   43    HB3  PRO   5           HB3      PRO   5   4.130  -2.536  10.364
   44    HG2  PRO   5           HG2      PRO   5   5.035  -4.565  11.814
   45    HG3  PRO   5           HG3      PRO   5   4.567  -4.812  10.121
   46    HD2  PRO   5           HD2      PRO   5   7.290  -4.608  11.328
   47    HD3  PRO   5           HD3      PRO   5   6.719  -5.634   9.996
   48    H    SER   6           H        SER   6   6.209  -0.696   7.695
   49    HA   SER   6           HA       SER   6   6.864   1.456   7.555
   50    HB2  SER   6           HB2      SER   6   6.693   1.451  10.572
   51    HB3  SER   6           HB3      SER   6   6.721   2.878   9.530
   52    HG   SER   6           HG       SER   6   4.825   1.245   8.640
   53    H    THR   7           H        THR   7   8.783  -0.850   8.207
   54    HA   THR   7           HA       THR   7  11.139   0.877   8.604
   55    HB   THR   7           HB       THR   7  11.150  -2.147   8.654
   56    HG1  THR   7           HG1      THR   7  10.216  -0.364  10.543
   57   HG21  THR   7          HG21      THR   7  13.318  -1.008   8.387
   58   HG22  THR   7          HG22      THR   7  13.208  -1.842   9.939
   59   HG23  THR   7          HG23      THR   7  13.009  -0.091   9.860
   60    H    ALA   8           H        ALA   8   9.624   0.929   6.303
   61    HA   ALA   8           HA       ALA   8  10.637  -0.902   4.338
   62    HB1  ALA   8           HB1      ALA   8   8.299  -0.195   4.302
   63    HB2  ALA   8           HB2      ALA   8   9.128   0.249   2.808
   64    HB3  ALA   8           HB3      ALA   8   8.807   1.474   4.038
   65    H    CYS   9           H        CYS   9  12.421  -0.627   3.295
   66    HA   CYS   9           HA       CYS   9  13.109   1.968   2.198
   67    HB2  CYS   9           HB2      CYS   9  14.301   1.783   4.398
   68    HB3  CYS   9           HB3      CYS   9  15.112   0.349   3.794
   69    H    CYS  10           H        CYS  10  11.949  -0.067   0.953
   70    HA   CYS  10           HA       CYS  10  13.571  -2.128  -0.037
   71    HB2  CYS  10           HB2      CYS  10  10.967  -0.914  -0.889
   72    HB3  CYS  10           HB3      CYS  10  11.755  -2.103  -1.919
   73    H    THR  11           H        THR  11  15.298  -1.941  -1.258
   74    HA   THR  11           HA       THR  11  15.637   0.166  -3.165
   75    HB   THR  11           HB       THR  11  17.635  -1.255  -3.869
   76    HG1  THR  11           HG1      THR  11  18.043  -3.079  -2.775
   77   HG21  THR  11          HG21      THR  11  18.929  -0.714  -1.857
   78   HG22  THR  11          HG22      THR  11  17.430  -0.439  -0.969
   79   HG23  THR  11          HG23      THR  11  17.864   0.615  -2.314
   80    H    GLN  12           H        GLN  12  15.013  -3.314  -3.274
   81    HA   GLN  12           HA       GLN  12  14.340  -3.257  -6.060
   82    HB2  GLN  12           HB2      GLN  12  13.418  -5.618  -5.502
   83    HB3  GLN  12           HB3      GLN  12  15.148  -5.347  -5.490
   84    HG2  GLN  12           HG2      GLN  12  14.576  -6.723  -3.633
   85    HG3  GLN  12           HG3      GLN  12  15.060  -5.148  -3.020
   86   HE21  GLN  12          HE21      GLN  12  13.566  -3.887  -1.970
   87   HE22  GLN  12          HE22      GLN  12  11.997  -4.441  -1.521
   88    H    LEU  13           H        LEU  13  12.234  -3.707  -6.926
   89    HA   LEU  13           HA       LEU  13   9.977  -3.146  -5.161
   90    HB2  LEU  13           HB2      LEU  13  10.643  -1.538  -7.633
   91    HB3  LEU  13           HB3      LEU  13   9.095  -1.479  -6.812
   92    HG   LEU  13           HG       LEU  13  11.714  -0.728  -5.512
   93   HD11  LEU  13          HD11      LEU  13  10.998   1.589  -5.787
   94   HD12  LEU  13          HD12      LEU  13   9.594   1.050  -6.709
   95   HD13  LEU  13          HD13      LEU  13  11.219   0.797  -7.346
   96   HD21  LEU  13          HD21      LEU  13   9.978  -1.433  -3.951
   97   HD22  LEU  13          HD22      LEU  13   8.848  -0.291  -4.677
   98   HD23  LEU  13          HD23      LEU  13  10.275   0.300  -3.824
   99    H    TYR  14           H        TYR  14   8.066  -4.041  -5.836
  100    HA   TYR  14           HA       TYR  14   8.251  -6.187  -7.711
  101    HB2  TYR  14           HB2      TYR  14   6.850  -6.177  -5.616
  102    HB3  TYR  14           HB3      TYR  14   5.762  -5.051  -6.417
  103    HD1  TYR  14           HD1      TYR  14   7.230  -8.455  -6.766
  104    HD2  TYR  14           HD2      TYR  14   4.004  -5.853  -7.711
  105    HE1  TYR  14           HE1      TYR  14   5.996 -10.348  -7.736
  106    HE2  TYR  14           HE2      TYR  14   2.763  -7.737  -8.681
  107    HH   TYR  14           HH       TYR  14   3.528 -10.916  -8.169
  108    H    ARG  15           H        ARG  15   6.159  -3.316  -7.597
  109    HA   ARG  15           HA       ARG  15   5.587  -1.780  -9.155
  110    HB2  ARG  15           HB2      ARG  15   7.939  -1.896  -9.877
  111    HB3  ARG  15           HB3      ARG  15   7.526  -3.195 -10.987
  112    HG2  ARG  15           HG2      ARG  15   6.110  -1.707 -12.258
  113    HG3  ARG  15           HG3      ARG  15   6.405  -0.403 -11.105
  114    HD2  ARG  15           HD2      ARG  15   7.772  -0.167 -13.129
  115    HD3  ARG  15           HD3      ARG  15   8.760  -0.388 -11.686
  116    HE   ARG  15           HE       ARG  15   8.615  -2.889 -12.556
  117   HH11  ARG  15          HH11      ARG  15   9.214   0.070 -14.346
  118   HH12  ARG  15          HH12      ARG  15  10.213  -0.713 -15.530
  119   HH21  ARG  15          HH21      ARG  15   9.918  -3.904 -14.111
  120   HH22  ARG  15          HH22      ARG  15  10.599  -2.976 -15.411
  121    H    LYS  16           H        LYS  16   5.213  -5.137  -9.794
  122    HA   LYS  16           HA       LYS  16   3.353  -4.707 -11.970
  123    HB2  LYS  16           HB2      LYS  16   4.068  -7.183 -10.392
  124    HB3  LYS  16           HB3      LYS  16   2.901  -7.166 -11.703
  125    HG2  LYS  16           HG2      LYS  16   4.673  -6.411 -13.238
  126    HG3  LYS  16           HG3      LYS  16   5.833  -6.525 -11.912
  127    HD2  LYS  16           HD2      LYS  16   5.491  -8.886 -11.727
  128    HD3  LYS  16           HD3      LYS  16   4.144  -8.830 -12.866
  129    HE2  LYS  16           HE2      LYS  16   7.015  -8.170 -13.516
  130    HE3  LYS  16           HE3      LYS  16   6.205  -9.689 -13.898
  131    HZ1  LYS  16           HZ1      LYS  16   5.608  -6.994 -14.980
  132    HZ2  LYS  16           HZ2      LYS  16   4.563  -8.318 -15.176
  133    HZ3  LYS  16           HZ3      LYS  16   6.126  -8.366 -15.836
  134    HA   PRO  17           HA       PRO  17  -0.278  -3.994  -9.535
  135    HB2  PRO  17           HB2      PRO  17  -1.674  -5.698 -11.525
  136    HB3  PRO  17           HB3      PRO  17  -2.016  -4.037 -11.027
  137    HG2  PRO  17           HG2      PRO  17  -0.904  -4.537 -13.393
  138    HG3  PRO  17           HG3      PRO  17  -0.387  -3.146 -12.419
  139    HD2  PRO  17           HD2      PRO  17   0.955  -5.796 -12.792
  140    HD3  PRO  17           HD3      PRO  17   1.669  -4.171 -12.730
  141    H    LEU  18           H        LEU  18  -1.160  -4.986  -7.825
  142    HA   LEU  18           HA       LEU  18  -0.611  -7.819  -7.466
  143    HB2  LEU  18           HB2      LEU  18  -1.703  -5.742  -5.562
  144    HB3  LEU  18           HB3      LEU  18  -1.376  -7.412  -5.134
  145    HG   LEU  18           HG       LEU  18   0.665  -5.354  -5.983
  146   HD11  LEU  18          HD11      LEU  18  -0.124  -5.025  -3.713
  147   HD12  LEU  18          HD12      LEU  18   1.526  -5.642  -3.708
  148   HD13  LEU  18          HD13      LEU  18   0.183  -6.720  -3.339
  149   HD21  LEU  18          HD21      LEU  18   2.332  -7.072  -5.550
  150   HD22  LEU  18          HD22      LEU  18   1.226  -7.583  -6.827
  151   HD23  LEU  18          HD23      LEU  18   1.058  -8.239  -5.199
  152    H    SER  19           H        SER  19  -2.205  -9.322  -6.813
  153    HA   SER  19           HA       SER  19  -4.669  -9.037  -8.232
  154    HB2  SER  19           HB2      SER  19  -3.753 -11.234  -6.363
  155    HB3  SER  19           HB3      SER  19  -5.088 -11.333  -7.513
  156    HG   SER  19           HG       SER  19  -3.405 -10.783  -9.141
  157    H    ASP  20           H        ASP  20  -6.748  -8.996  -7.412
  158    HA   ASP  20           HA       ASP  20  -7.203  -7.369  -5.189
  159    HB2  ASP  20           HB2      ASP  20  -8.784  -7.620  -7.055
  160    HB3  ASP  20           HB3      ASP  20  -9.114  -9.275  -6.556
  161    H    LYS  21           H        LYS  21  -7.058 -10.850  -5.483
  162    HA   LYS  21           HA       LYS  21  -8.196 -11.674  -3.088
  163    HB2  LYS  21           HB2      LYS  21  -5.681 -12.841  -4.282
  164    HB3  LYS  21           HB3      LYS  21  -6.845 -13.663  -3.255
  165    HG2  LYS  21           HG2      LYS  21  -8.515 -13.523  -5.023
  166    HG3  LYS  21           HG3      LYS  21  -7.358 -12.669  -6.051
  167    HD2  LYS  21           HD2      LYS  21  -5.838 -14.631  -5.848
  168    HD3  LYS  21           HD3      LYS  21  -7.125 -15.482  -4.994
  169    HE2  LYS  21           HE2      LYS  21  -7.177 -16.166  -7.288
  170    HE3  LYS  21           HE3      LYS  21  -8.583 -15.144  -6.991
  171    HZ1  LYS  21           HZ1      LYS  21  -6.046 -14.175  -8.199
  172    HZ2  LYS  21           HZ2      LYS  21  -7.508 -13.320  -8.068
  173    HZ3  LYS  21           HZ3      LYS  21  -7.398 -14.665  -9.096
  174    H    LEU  22           H        LEU  22  -4.875 -10.660  -3.750
  175    HA   LEU  22           HA       LEU  22  -3.982 -10.928  -1.050
  176    HB2  LEU  22           HB2      LEU  22  -2.558  -9.018  -2.777
  177    HB3  LEU  22           HB3      LEU  22  -1.936 -10.357  -1.834
  178    HG   LEU  22           HG       LEU  22  -3.281 -10.595  -4.520
  179   HD11  LEU  22          HD11      LEU  22  -0.370 -10.837  -3.774
  180   HD12  LEU  22          HD12      LEU  22  -1.100  -9.498  -4.658
  181   HD13  LEU  22          HD13      LEU  22  -1.059 -11.108  -5.374
  182   HD21  LEU  22          HD21      LEU  22  -2.490 -12.913  -4.465
  183   HD22  LEU  22          HD22      LEU  22  -3.605 -12.580  -3.139
  184   HD23  LEU  22          HD23      LEU  22  -1.869 -12.665  -2.832
  185    H    LEU  23           H        LEU  23  -5.311  -8.369  -3.029
  186    HA   LEU  23           HA       LEU  23  -4.563  -6.224  -1.391
  187    HB2  LEU  23           HB2      LEU  23  -6.802  -6.483  -3.393
  188    HB3  LEU  23           HB3      LEU  23  -6.375  -4.974  -2.604
  189    HG   LEU  23           HG       LEU  23  -4.589  -6.589  -4.433
  190   HD11  LEU  23          HD11      LEU  23  -6.355  -5.415  -5.627
  191   HD12  LEU  23          HD12      LEU  23  -4.781  -4.673  -5.938
  192   HD13  LEU  23          HD13      LEU  23  -5.913  -3.909  -4.820
  193   HD21  LEU  23          HD21      LEU  23  -4.073  -3.962  -3.043
  194   HD22  LEU  23          HD22      LEU  23  -3.020  -4.724  -4.235
  195   HD23  LEU  23          HD23      LEU  23  -3.296  -5.502  -2.677
  196    H    ARG  24           H        ARG  24  -7.579  -8.121  -1.503
  197    HA   ARG  24           HA       ARG  24  -8.825  -6.702   0.630
  198    HB2  ARG  24           HB2      ARG  24 -10.407  -8.614   0.693
  199    HB3  ARG  24           HB3      ARG  24 -10.190  -7.946  -0.918
  200    HG2  ARG  24           HG2      ARG  24  -8.630  -9.778  -1.439
  201    HG3  ARG  24           HG3      ARG  24  -8.942 -10.463   0.158
  202    HD2  ARG  24           HD2      ARG  24 -11.066  -9.956  -1.919
  203    HD3  ARG  24           HD3      ARG  24 -10.262 -11.505  -1.677
  204    HE   ARG  24           HE       ARG  24 -11.240 -10.815   0.796
  205   HH11  ARG  24          HH11      ARG  24 -12.644 -11.233  -2.395
  206   HH12  ARG  24          HH12      ARG  24 -14.149 -11.864  -1.787
  207   HH21  ARG  24          HH21      ARG  24 -13.217 -11.641   1.592
  208   HH22  ARG  24          HH22      ARG  24 -14.479 -12.084   0.475
  209    H    LYS  25           H        LYS  25  -6.119  -8.336   0.757
  210    HA   LYS  25           HA       LYS  25  -6.572  -9.488   3.426
  211    HB2  LYS  25           HB2      LYS  25  -4.716 -10.238   1.196
  212    HB3  LYS  25           HB3      LYS  25  -4.279 -10.617   2.855
  213    HG2  LYS  25           HG2      LYS  25  -6.116 -12.054   3.126
  214    HG3  LYS  25           HG3      LYS  25  -6.914 -11.436   1.680
  215    HD2  LYS  25           HD2      LYS  25  -5.734 -13.738   1.580
  216    HD3  LYS  25           HD3      LYS  25  -5.512 -12.604   0.250
  217    HE2  LYS  25           HE2      LYS  25  -3.345 -12.048   0.931
  218    HE3  LYS  25           HE3      LYS  25  -3.583 -12.719   2.547
  219    HZ1  LYS  25           HZ1      LYS  25  -3.308 -14.859   1.800
  220    HZ2  LYS  25           HZ2      LYS  25  -2.230 -14.038   0.777
  221    HZ3  LYS  25           HZ3      LYS  25  -3.758 -14.497   0.208
  222    H    VAL  26           H        VAL  26  -5.389  -6.858   1.851
  223    HA   VAL  26           HA       VAL  26  -3.073  -6.272   3.391
  224    HB   VAL  26           HB       VAL  26  -4.903  -4.583   1.672
  225   HG11  VAL  26          HG11      VAL  26  -3.198  -2.843   1.754
  226   HG12  VAL  26          HG12      VAL  26  -2.302  -3.782   2.949
  227   HG13  VAL  26          HG13      VAL  26  -3.901  -3.152   3.340
  228   HG21  VAL  26          HG21      VAL  26  -3.595  -6.240   0.469
  229   HG22  VAL  26          HG22      VAL  26  -2.120  -5.644   1.228
  230   HG23  VAL  26          HG23      VAL  26  -3.015  -4.612   0.112
  231    H    ILE  27           H        ILE  27  -2.906  -4.706   5.055
  232    HA   ILE  27           HA       ILE  27  -5.441  -4.176   6.460
  233    HB   ILE  27           HB       ILE  27  -4.064  -4.075   8.567
  234   HG12  ILE  27          HG12      ILE  27  -2.005  -5.404   6.785
  235   HG13  ILE  27          HG13      ILE  27  -1.842  -3.842   7.581
  236   HG21  ILE  27          HG21      ILE  27  -4.033  -6.516   8.845
  237   HG22  ILE  27          HG22      ILE  27  -4.244  -6.703   7.104
  238   HG23  ILE  27          HG23      ILE  27  -5.511  -5.946   8.070
  239   HD11  ILE  27          HD11      ILE  27  -0.585  -5.539   8.756
  240   HD12  ILE  27          HD12      ILE  27  -2.040  -6.520   8.941
  241   HD13  ILE  27          HD13      ILE  27  -1.916  -4.962   9.759
  242    H    GLN  28           H        GLN  28  -2.267  -2.902   5.598
  243    HA   GLN  28           HA       GLN  28  -3.327  -0.201   5.771
  244    HB2  GLN  28           HB2      GLN  28  -1.064  -1.224   7.460
  245    HB3  GLN  28           HB3      GLN  28  -1.080   0.452   6.931
  246    HG2  GLN  28           HG2      GLN  28  -3.267  -0.887   8.507
  247    HG3  GLN  28           HG3      GLN  28  -2.010   0.147   9.184
  248   HE21  GLN  28          HE21      GLN  28  -4.915   0.444   9.178
  249   HE22  GLN  28          HE22      GLN  28  -5.232   1.984   8.450
  250    H    VAL  29           H        VAL  29  -2.066   1.347   4.634
  251    HA   VAL  29           HA       VAL  29  -0.090   0.189   2.782
  252    HB   VAL  29           HB       VAL  29  -1.562   2.817   2.494
  253   HG11  VAL  29          HG11      VAL  29  -0.719   2.770   0.189
  254   HG12  VAL  29          HG12      VAL  29   0.162   1.287   0.546
  255   HG13  VAL  29          HG13      VAL  29   0.596   2.787   1.364
  256   HG21  VAL  29          HG21      VAL  29  -3.137   0.982   2.314
  257   HG22  VAL  29          HG22      VAL  29  -2.094   0.175   1.145
  258   HG23  VAL  29          HG23      VAL  29  -2.862   1.706   0.730
  259    H    GLU  30           H        GLU  30   1.969   0.688   3.171
  260    HA   GLU  30           HA       GLU  30   2.476   2.934   4.988
  261    HB2  GLU  30           HB2      GLU  30   4.641   1.767   5.464
  262    HB3  GLU  30           HB3      GLU  30   3.205   0.890   5.970
  263    HG2  GLU  30           HG2      GLU  30   3.418  -0.346   3.719
  264    HG3  GLU  30           HG3      GLU  30   5.055   0.316   3.693
  265    H    LEU  31           H        LEU  31   3.137   4.695   4.022
  266    HA   LEU  31           HA       LEU  31   4.304   4.588   1.387
  267    HB2  LEU  31           HB2      LEU  31   2.683   6.319   1.868
  268    HB3  LEU  31           HB3      LEU  31   3.652   6.904   3.206
  269    HG   LEU  31           HG       LEU  31   5.385   7.657   1.667
  270   HD11  LEU  31          HD11      LEU  31   3.574   6.593  -0.497
  271   HD12  LEU  31          HD12      LEU  31   5.168   5.973  -0.064
  272   HD13  LEU  31          HD13      LEU  31   5.007   7.585  -0.762
  273   HD21  LEU  31          HD21      LEU  31   2.627   8.569   0.863
  274   HD22  LEU  31          HD22      LEU  31   4.130   9.437   0.554
  275   HD23  LEU  31          HD23      LEU  31   3.578   9.192   2.211
  276    H    GLN  32           H        GLN  32   6.312   3.900   1.347
  277    HA   GLN  32           HA       GLN  32   8.354   4.700   3.186
  278    HB2  GLN  32           HB2      GLN  32   8.607   2.603   2.082
  279    HB3  GLN  32           HB3      GLN  32   8.373   3.335   0.501
  280    HG2  GLN  32           HG2      GLN  32  10.492   4.525   0.751
  281    HG3  GLN  32           HG3      GLN  32  10.728   3.759   2.322
  282   HE21  GLN  32          HE21      GLN  32  12.209   3.654  -0.258
  283   HE22  GLN  32          HE22      GLN  32  12.370   1.967  -0.597
  284    H    GLU  33           H        GLU  33   8.767   6.845   3.275
  285    HA   GLU  33           HA       GLU  33   8.577   8.493   0.937
  286    HB2  GLU  33           HB2      GLU  33   9.552   9.082   3.728
  287    HB3  GLU  33           HB3      GLU  33   9.435  10.290   2.454
  288    HG2  GLU  33           HG2      GLU  33   6.990   9.679   2.280
  289    HG3  GLU  33           HG3      GLU  33   7.211   8.772   3.777
  290    H    ALA  34           H        ALA  34  10.281   9.885   0.163
  291    HA   ALA  34           HA       ALA  34  12.645   8.328  -0.398
  292    HB1  ALA  34           HB1      ALA  34  11.508   9.615  -2.155
  293    HB2  ALA  34           HB2      ALA  34  13.197  10.084  -1.978
  294    HB3  ALA  34           HB3      ALA  34  11.925  11.110  -1.317
  295    H    ASP  35           H        ASP  35  11.901  10.142   2.181
  296    HA   ASP  35           HA       ASP  35  14.709  10.595   2.749
  297    HB2  ASP  35           HB2      ASP  35  14.090  12.765   1.909
  298    HB3  ASP  35           HB3      ASP  35  12.631  12.788   2.893
  299    H    GLY  36           H        GLY  36  11.385  10.798   3.956
  300    HA2  GLY  36           HA2      GLY  36  11.941  10.800   6.688
  301    HA3  GLY  36           HA3      GLY  36  10.457  10.207   5.966
  302    H    ASP  37           H        ASP  37  10.851   7.956   4.839
  303    HA   ASP  37           HA       ASP  37  11.667   6.224   7.016
  304    HB2  ASP  37           HB2      ASP  37  10.506   5.468   4.327
  305    HB3  ASP  37           HB3      ASP  37  10.603   4.447   5.757
  306    H    CYS  38           H        CYS  38  12.439   6.645   3.603
  307    HA   CYS  38           HA       CYS  38  15.011   5.281   4.003
  308    HB2  CYS  38           HB2      CYS  38  13.327   3.694   3.062
  309    HB3  CYS  38           HB3      CYS  38  13.072   4.803   1.722
  310    H    HIS  39           H        HIS  39  16.112   5.571   1.545
  311    HA   HIS  39           HA       HIS  39  15.841   8.448   0.991
  312    HB2  HIS  39           HB2      HIS  39  18.054   8.296  -0.116
  313    HB3  HIS  39           HB3      HIS  39  18.112   7.845   1.581
  314    HD1  HIS  39           HD1      HIS  39  19.111   5.631   2.130
  315    HD2  HIS  39           HD2      HIS  39  18.236   6.012  -1.919
  316    HE1  HIS  39           HE1      HIS  39  20.116   3.608   1.024
  317    HE2  HIS  39           HE2      HIS  39  19.799   4.001  -1.445
  318    H    LEU  40           H        LEU  40  14.264   6.054   0.054
  319    HA   LEU  40           HA       LEU  40  14.080   6.903  -2.730
  320    HB2  LEU  40           HB2      LEU  40  15.527   4.873  -2.656
  321    HB3  LEU  40           HB3      LEU  40  14.229   4.002  -1.870
  322    HG   LEU  40           HG       LEU  40  13.715   5.222  -4.553
  323   HD11  LEU  40          HD11      LEU  40  15.153   2.606  -4.093
  324   HD12  LEU  40          HD12      LEU  40  15.864   4.062  -4.792
  325   HD13  LEU  40          HD13      LEU  40  14.573   3.214  -5.643
  326   HD21  LEU  40          HD21      LEU  40  12.801   2.691  -3.177
  327   HD22  LEU  40          HD22      LEU  40  12.287   3.227  -4.775
  328   HD23  LEU  40          HD23      LEU  40  11.865   4.178  -3.351
  329    H    GLN  41           H        GLN  41  11.979   7.153  -3.308
  330    HA   GLN  41           HA       GLN  41   9.992   6.715  -1.254
  331    HB2  GLN  41           HB2      GLN  41  10.035   8.829  -2.527
  332    HB3  GLN  41           HB3      GLN  41   9.702   7.941  -4.006
  333    HG2  GLN  41           HG2      GLN  41   7.556   7.197  -3.026
  334    HG3  GLN  41           HG3      GLN  41   7.892   8.192  -1.613
  335   HE21  GLN  41          HE21      GLN  41   6.064   9.429  -1.934
  336   HE22  GLN  41          HE22      GLN  41   5.927  10.589  -3.210
  337    H    ALA  42           H        ALA  42   8.544   5.132  -1.184
  338    HA   ALA  42           HA       ALA  42   7.824   3.674  -3.600
  339    HB1  ALA  42           HB1      ALA  42   8.973   2.279  -1.185
  340    HB2  ALA  42           HB2      ALA  42   9.754   2.437  -2.760
  341    HB3  ALA  42           HB3      ALA  42   8.274   1.489  -2.599
  342    H    PHE  43           H        PHE  43   5.830   2.695  -3.480
  343    HA   PHE  43           HA       PHE  43   4.263   3.295  -1.078
  344    HB2  PHE  43           HB2      PHE  43   3.573   2.812  -3.946
  345    HB3  PHE  43           HB3      PHE  43   2.375   2.441  -2.712
  346    HD1  PHE  43           HD2      PHE  43   1.410   4.204  -1.349
  347    HD2  PHE  43           HD1      PHE  43   4.160   5.081  -4.472
  348    HE1  PHE  43           HE2      PHE  43   0.711   6.565  -1.290
  349    HE2  PHE  43           HE1      PHE  43   3.466   7.444  -4.425
  350    HZ   PHE  43           HZ       PHE  43   1.741   8.184  -2.833
  351    H    VAL  44           H        VAL  44   4.518   1.694   0.354
  352    HA   VAL  44           HA       VAL  44   4.781  -1.038  -0.658
  353    HB   VAL  44           HB       VAL  44   5.347  -0.008   2.127
  354   HG11  VAL  44          HG11      VAL  44   4.951  -2.416   2.030
  355   HG12  VAL  44          HG12      VAL  44   6.645  -2.068   2.374
  356   HG13  VAL  44          HG13      VAL  44   6.160  -2.573   0.757
  357   HG21  VAL  44          HG21      VAL  44   7.718  -0.060   1.449
  358   HG22  VAL  44          HG22      VAL  44   6.775   1.124   0.544
  359   HG23  VAL  44          HG23      VAL  44   7.213  -0.410  -0.207
  360    H    LEU  45           H        LEU  45   3.291  -2.559  -0.272
  361    HA   LEU  45           HA       LEU  45   0.890  -1.725   1.191
  362    HB2  LEU  45           HB2      LEU  45   1.322  -3.884  -0.868
  363    HB3  LEU  45           HB3      LEU  45  -0.184  -3.655   0.004
  364    HG   LEU  45           HG       LEU  45   1.100  -1.684  -1.884
  365   HD11  LEU  45          HD11      LEU  45   0.032  -3.521  -3.041
  366   HD12  LEU  45          HD12      LEU  45  -0.928  -2.052  -3.218
  367   HD13  LEU  45          HD13      LEU  45  -1.432  -3.304  -2.083
  368   HD21  LEU  45          HD21      LEU  45  -0.868  -0.306  -1.500
  369   HD22  LEU  45          HD22      LEU  45   0.032  -0.554  -0.004
  370   HD23  LEU  45          HD23      LEU  45  -1.452  -1.460  -0.302
  371    H    HIS  46           H        HIS  46   0.424  -2.573   3.077
  372    HA   HIS  46           HA       HIS  46   2.090  -4.817   3.969
  373    HB2  HIS  46           HB2      HIS  46   2.008  -2.483   5.162
  374    HB3  HIS  46           HB3      HIS  46   0.508  -3.103   5.848
  375    HD1  HIS  46           HD1      HIS  46   4.183  -3.412   6.030
  376    HD2  HIS  46           HD2      HIS  46   0.837  -5.340   7.584
  377    HE1  HIS  46           HE1      HIS  46   5.041  -4.885   7.888
  378    HE2  HIS  46           HE2      HIS  46   3.029  -6.207   8.651
  379    H    LEU  47           H        LEU  47   1.086  -6.665   3.716
  380    HA   LEU  47           HA       LEU  47  -1.785  -6.891   4.160
  381    HB2  LEU  47           HB2      LEU  47   0.286  -8.915   3.295
  382    HB3  LEU  47           HB3      LEU  47  -1.407  -9.290   3.533
  383    HG   LEU  47           HG       LEU  47  -1.889  -7.532   1.737
  384   HD11  LEU  47          HD11      LEU  47   1.047  -7.948   1.194
  385   HD12  LEU  47          HD12      LEU  47   0.296  -6.446   1.733
  386   HD13  LEU  47          HD13      LEU  47  -0.092  -7.103   0.143
  387   HD21  LEU  47          HD21      LEU  47  -1.498  -9.136  -0.051
  388   HD22  LEU  47          HD22      LEU  47  -2.105  -9.939   1.399
  389   HD23  LEU  47          HD23      LEU  47  -0.393 -10.038   0.988
  390    H    ALA  48           H        ALA  48  -2.461  -8.857   5.529
  391    HA   ALA  48           HA       ALA  48  -1.501  -8.292   8.153
  392    HB1  ALA  48           HB1      ALA  48  -3.847  -8.787   7.723
  393    HB2  ALA  48           HB2      ALA  48  -3.166  -9.897   8.910
  394    HB3  ALA  48           HB3      ALA  48  -3.419 -10.432   7.249
  395    H    GLN  49           H        GLN  49  -0.304 -10.363   5.803
  396    HA   GLN  49           HA       GLN  49   1.257 -11.709   7.851
  397    HB2  GLN  49           HB2      GLN  49   1.160 -13.791   6.248
  398    HB3  GLN  49           HB3      GLN  49  -0.022 -13.537   7.517
  399    HG2  GLN  49           HG2      GLN  49  -1.017 -14.299   5.421
  400    HG3  GLN  49           HG3      GLN  49  -1.624 -12.729   5.932
  401   HE21  GLN  49          HE21      GLN  49  -1.607 -11.128   4.529
  402   HE22  GLN  49          HE22      GLN  49  -0.777 -11.135   3.008
  403    H    ARG  50           H        ARG  50   1.556  -9.645   5.443
  404    HA   ARG  50           HA       ARG  50   4.272 -10.317   4.923
  405    HB2  ARG  50           HB2      ARG  50   4.188 -10.856   2.589
  406    HB3  ARG  50           HB3      ARG  50   3.118 -11.960   3.439
  407    HG2  ARG  50           HG2      ARG  50   1.202 -10.542   2.768
  408    HG3  ARG  50           HG3      ARG  50   2.315  -9.551   1.825
  409    HD2  ARG  50           HD2      ARG  50   1.656 -12.459   1.426
  410    HD3  ARG  50           HD3      ARG  50   1.278 -11.116   0.349
  411    HE   ARG  50           HE       ARG  50   4.092 -11.418   0.834
  412   HH11  ARG  50          HH11      ARG  50   1.418 -12.526  -1.138
  413   HH12  ARG  50          HH12      ARG  50   2.438 -13.092  -2.426
  414   HH21  ARG  50          HH21      ARG  50   5.431 -12.157  -0.837
  415   HH22  ARG  50          HH22      ARG  50   4.734 -12.889  -2.249
  416    H    SER  51           H        SER  51   5.264  -8.847   3.260
  417    HA   SER  51           HA       SER  51   3.761  -6.344   2.906
  418    HB2  SER  51           HB2      SER  51   6.704  -6.432   3.598
  419    HB3  SER  51           HB3      SER  51   5.642  -5.025   3.575
  420    HG   SER  51           HG       SER  51   6.124  -5.905   5.698
  421    H    ILE  52           H        ILE  52   4.061  -5.347   0.944
  422    HA   ILE  52           HA       ILE  52   6.092  -6.479  -0.871
  423    HB   ILE  52           HB       ILE  52   3.225  -5.864  -1.629
  424   HG12  ILE  52          HG12      ILE  52   4.675  -8.521  -1.537
  425   HG13  ILE  52          HG13      ILE  52   3.506  -7.973  -0.341
  426   HG21  ILE  52          HG21      ILE  52   4.757  -5.315  -3.428
  427   HG22  ILE  52          HG22      ILE  52   3.849  -6.771  -3.835
  428   HG23  ILE  52          HG23      ILE  52   5.522  -6.899  -3.291
  429   HD11  ILE  52          HD11      ILE  52   1.770  -7.934  -2.062
  430   HD12  ILE  52          HD12      ILE  52   2.500  -9.532  -1.902
  431   HD13  ILE  52          HD13      ILE  52   2.946  -8.491  -3.253
  432    H    CYS  53           H        CYS  53   7.207  -4.950  -2.025
  433    HA   CYS  53           HA       CYS  53   6.456  -2.167  -1.454
  434    HB2  CYS  53           HB2      CYS  53   9.096  -3.402  -2.267
  435    HB3  CYS  53           HB3      CYS  53   8.837  -1.668  -2.106
  436    H    ILE  54           H        ILE  54   5.617  -0.970  -2.968
  437    HA   ILE  54           HA       ILE  54   5.874  -1.817  -5.768
  438    HB   ILE  54           HB       ILE  54   3.627  -0.871  -4.151
  439   HG12  ILE  54          HG12      ILE  54   3.805  -2.294  -6.812
  440   HG13  ILE  54          HG13      ILE  54   3.698  -3.066  -5.232
  441   HG21  ILE  54          HG21      ILE  54   3.984   0.309  -6.899
  442   HG22  ILE  54          HG22      ILE  54   3.917   1.185  -5.370
  443   HG23  ILE  54          HG23      ILE  54   2.488   0.337  -5.965
  444   HD11  ILE  54          HD11      ILE  54   1.587  -1.286  -6.434
  445   HD12  ILE  54          HD12      ILE  54   1.480  -2.166  -4.909
  446   HD13  ILE  54          HD13      ILE  54   1.559  -3.050  -6.431
  447    H    HIS  55           H        HIS  55   6.551  -0.423  -7.291
  448    HA   HIS  55           HA       HIS  55   7.863   2.003  -6.584
  449    HB2  HIS  55           HB2      HIS  55   8.731   0.777  -8.444
  450    HB3  HIS  55           HB3      HIS  55   7.152   0.696  -9.219
  451    HD1  HIS  55           HD1      HIS  55   6.526   2.562 -10.775
  452    HD2  HIS  55           HD2      HIS  55  10.005   3.358  -8.638
  453    HE1  HIS  55           HE1      HIS  55   7.474   4.653 -11.788
  454    HE2  HIS  55           HE2      HIS  55   9.665   5.038 -10.582
  455    HA   PRO  56           HA       PRO  56   4.217   4.643  -6.528
  456    HB2  PRO  56           HB2      PRO  56   6.271   6.725  -7.086
  457    HB3  PRO  56           HB3      PRO  56   5.041   6.671  -5.817
  458    HG2  PRO  56           HG2      PRO  56   7.594   6.211  -5.240
  459    HG3  PRO  56           HG3      PRO  56   6.307   5.261  -4.471
  460    HD2  PRO  56           HD2      PRO  56   8.140   4.506  -6.711
  461    HD3  PRO  56           HD3      PRO  56   7.564   3.523  -5.350
  462    H    GLN  57           H        GLN  57   3.211   6.225  -8.035
  463    HA   GLN  57           HA       GLN  57   2.372   6.629 -10.102
  464    HB2  GLN  57           HB2      GLN  57   5.271   6.271 -10.869
  465    HB3  GLN  57           HB3      GLN  57   4.028   6.559 -12.075
  466    HG2  GLN  57           HG2      GLN  57   5.144   8.620 -11.534
  467    HG3  GLN  57           HG3      GLN  57   3.473   8.685 -10.984
  468   HE21  GLN  57          HE21      GLN  57   3.042   8.794  -8.796
  469   HE22  GLN  57          HE22      GLN  57   4.266   9.110  -7.617
  470    H    ASN  58           H        ASN  58   1.523   4.488  -9.265
  471    HA   ASN  58           HA       ASN  58   1.823   2.436 -11.326
  472    HB2  ASN  58           HB2      ASN  58   3.315   1.958  -9.311
  473    HB3  ASN  58           HB3      ASN  58   1.830   1.744  -8.391
  474   HD21  ASN  58          HD21      ASN  58   3.883   0.481 -10.854
  475   HD22  ASN  58          HD22      ASN  58   3.142  -1.084 -10.956
  476    HA   PRO  59           HA       PRO  59  -2.592   2.717 -11.141
  477    HB2  PRO  59           HB2      PRO  59  -2.445  -0.025 -12.269
  478    HB3  PRO  59           HB3      PRO  59  -3.285   1.403 -12.882
  479    HG2  PRO  59           HG2      PRO  59  -1.044   0.532 -14.028
  480    HG3  PRO  59           HG3      PRO  59  -1.380   2.266 -13.865
  481    HD2  PRO  59           HD2      PRO  59   0.468   0.539 -12.281
  482    HD3  PRO  59           HD3      PRO  59   0.671   2.222 -12.808
  483    H    SER  60           H        SER  60  -0.866  -0.145  -9.967
  484    HA   SER  60           HA       SER  60  -3.111  -1.380  -8.777
  485    HB2  SER  60           HB2      SER  60  -0.979  -2.548  -9.333
  486    HB3  SER  60           HB3      SER  60  -0.211  -1.718  -7.985
  487    HG   SER  60           HG       SER  60  -1.963  -2.706  -6.685
  488    H    LEU  61           H        LEU  61  -0.760   0.962  -7.563
  489    HA   LEU  61           HA       LEU  61  -1.708   0.717  -4.851
  490    HB2  LEU  61           HB2      LEU  61   0.626   1.601  -5.955
  491    HB3  LEU  61           HB3      LEU  61  -0.163   3.113  -5.566
  492    HG   LEU  61           HG       LEU  61   1.247   2.567  -3.742
  493   HD11  LEU  61          HD11      LEU  61  -1.582   1.857  -3.008
  494   HD12  LEU  61          HD12      LEU  61  -0.911   3.484  -3.118
  495   HD13  LEU  61          HD13      LEU  61  -0.318   2.366  -1.890
  496   HD21  LEU  61          HD21      LEU  61  -0.096  -0.131  -3.666
  497   HD22  LEU  61          HD22      LEU  61   1.106   0.462  -2.513
  498   HD23  LEU  61          HD23      LEU  61   1.553   0.199  -4.202
  499    H    SER  62           H        SER  62  -2.000   3.113  -7.461
  500    HA   SER  62           HA       SER  62  -3.514   5.015  -6.069
  501    HB2  SER  62           HB2      SER  62  -2.419   5.311  -8.323
  502    HB3  SER  62           HB3      SER  62  -3.736   4.366  -9.019
  503    HG   SER  62           HG       SER  62  -3.734   6.953  -7.963
  504    H    GLN  63           H        GLN  63  -4.573   2.363  -8.195
  505    HA   GLN  63           HA       GLN  63  -7.339   2.703  -7.755
  506    HB2  GLN  63           HB2      GLN  63  -5.728   0.300  -8.601
  507    HB3  GLN  63           HB3      GLN  63  -7.484   0.292  -8.520
  508    HG2  GLN  63           HG2      GLN  63  -7.590   2.061 -10.181
  509    HG3  GLN  63           HG3      GLN  63  -5.830   2.134 -10.235
  510   HE21  GLN  63          HE21      GLN  63  -5.485  -0.748 -10.081
  511   HE22  GLN  63          HE22      GLN  63  -5.941  -1.380 -11.622
  512    H    TRP  64           H        TRP  64  -4.815   1.117  -5.945
  513    HA   TRP  64           HA       TRP  64  -6.537  -0.454  -4.338
  514    HB2  TRP  64           HB2      TRP  64  -4.197  -1.049  -4.443
  515    HB3  TRP  64           HB3      TRP  64  -3.734   0.513  -3.768
  516    HD1  TRP  64           HD1      TRP  64  -2.873   0.056  -1.401
  517    HE1  TRP  64           HE1      TRP  64  -3.723  -1.248   0.645
  518    HE3  TRP  64           HE3      TRP  64  -6.986  -2.149  -3.484
  519    HZ2  TRP  64           HZ2      TRP  64  -5.856  -2.966   1.296
  520    HZ3  TRP  64           HZ3      TRP  64  -8.386  -3.591  -2.078
  521    HH2  TRP  64           HH2      TRP  64  -7.830  -3.993   0.261
  522    H    PHE  65           H        PHE  65  -5.268   2.832  -4.017
  523    HA   PHE  65           HA       PHE  65  -6.165   3.364  -1.434
  524    HB2  PHE  65           HB2      PHE  65  -5.617   5.028  -3.833
  525    HB3  PHE  65           HB3      PHE  65  -6.590   5.762  -2.564
  526    HD1  PHE  65           HD1      PHE  65  -3.745   3.384  -2.254
  527    HD2  PHE  65           HD2      PHE  65  -5.188   7.331  -1.590
  528    HE1  PHE  65           HE1      PHE  65  -1.714   3.912  -0.975
  529    HE2  PHE  65           HE2      PHE  65  -3.157   7.863  -0.310
  530    HZ   PHE  65           HZ       PHE  65  -1.416   6.152  -0.003
  531    H    GLU  66           H        GLU  66  -7.902   3.674  -4.514
  532    HA   GLU  66           HA       GLU  66 -10.400   4.411  -3.410
  533    HB2  GLU  66           HB2      GLU  66  -9.992   2.793  -5.927
  534    HB3  GLU  66           HB3      GLU  66 -11.330   3.866  -5.550
  535    HG2  GLU  66           HG2      GLU  66  -9.867   5.786  -5.692
  536    HG3  GLU  66           HG3      GLU  66  -8.484   4.733  -5.986
  537    H    HIS  67           H        HIS  67  -9.022   1.288  -4.334
  538    HA   HIS  67           HA       HIS  67 -11.333  -0.233  -3.815
  539    HB2  HIS  67           HB2      HIS  67  -8.433  -1.024  -4.038
  540    HB3  HIS  67           HB3      HIS  67  -9.719  -2.195  -3.772
  541    HD1  HIS  67           HD1      HIS  67  -8.555  -2.969  -6.201
  542    HD2  HIS  67           HD2      HIS  67 -11.078   0.332  -6.167
  543    HE1  HIS  67           HE1      HIS  67  -9.247  -2.624  -8.593
  544    HE2  HIS  67           HE2      HIS  67 -10.635  -0.518  -8.564
  545    H    GLN  68           H        GLN  68  -8.520   0.492  -1.760
  546    HA   GLN  68           HA       GLN  68  -9.167  -1.350   0.265
  547    HB2  GLN  68           HB2      GLN  68  -7.582  -0.197   1.657
  548    HB3  GLN  68           HB3      GLN  68  -6.946  -0.288   0.023
  549    HG2  GLN  68           HG2      GLN  68  -7.598   2.036  -0.355
  550    HG3  GLN  68           HG3      GLN  68  -8.227   2.119   1.291
  551   HE21  GLN  68          HE21      GLN  68  -6.141   3.706   0.092
  552   HE22  GLN  68          HE22      GLN  68  -4.719   3.441   1.033
  553    H    GLU  69           H        GLU  69 -10.119   2.001  -0.258
  554    HA   GLU  69           HA       GLU  69 -11.465   2.538   2.103
  555    HB2  GLU  69           HB2      GLU  69 -11.199   4.195   0.321
  556    HB3  GLU  69           HB3      GLU  69 -12.249   3.264  -0.735
  557    HG2  GLU  69           HG2      GLU  69 -13.551   5.044   0.065
  558    HG3  GLU  69           HG3      GLU  69 -14.074   3.630   0.977
  559    H    ARG  70           H        ARG  70 -12.492   0.678  -0.718
  560    HA   ARG  70           HA       ARG  70 -14.918  -0.117   0.756
  561    HB2  ARG  70           HB2      ARG  70 -15.864  -0.571  -1.549
  562    HB3  ARG  70           HB3      ARG  70 -15.601   1.113  -1.126
  563    HG2  ARG  70           HG2      ARG  70 -13.312   0.769  -2.325
  564    HG3  ARG  70           HG3      ARG  70 -14.132  -0.605  -3.070
  565    HD2  ARG  70           HD2      ARG  70 -14.311   1.394  -4.464
  566    HD3  ARG  70           HD3      ARG  70 -15.894   0.876  -3.884
  567    HE   ARG  70           HE       ARG  70 -15.657   2.670  -2.161
  568   HH11  ARG  70          HH11      ARG  70 -13.917   2.898  -5.204
  569   HH12  ARG  70          HH12      ARG  70 -13.799   4.627  -5.131
  570   HH21  ARG  70          HH21      ARG  70 -15.493   4.920  -2.075
  571   HH22  ARG  70          HH22      ARG  70 -14.706   5.783  -3.367
  572    H    LYS  71           H        LYS  71 -12.232  -1.485   0.820
  573    HA   LYS  71           HA       LYS  71 -12.956  -3.985  -0.527
  574    HB2  LYS  71           HB2      LYS  71 -10.746  -2.961  -1.081
  575    HB3  LYS  71           HB3      LYS  71 -10.253  -3.259   0.577
  576    HG2  LYS  71           HG2      LYS  71  -9.400  -4.960  -0.947
  577    HG3  LYS  71           HG3      LYS  71 -10.498  -5.650   0.249
  578    HD2  LYS  71           HD2      LYS  71 -10.876  -6.549  -2.020
  579    HD3  LYS  71           HD3      LYS  71 -12.290  -5.713  -1.377
  580    HE2  LYS  71           HE2      LYS  71 -11.747  -3.741  -2.685
  581    HE3  LYS  71           HE3      LYS  71 -10.280  -4.517  -3.281
  582    HZ1  LYS  71           HZ1      LYS  71 -12.241  -4.564  -4.817
  583    HZ2  LYS  71           HZ2      LYS  71 -12.983  -5.639  -3.740
  584    HZ3  LYS  71           HZ3      LYS  71 -11.527  -6.072  -4.503
  585    H    LEU  72           H        LEU  72 -10.617  -4.239   1.984
  586    HA   LEU  72           HA       LEU  72 -12.119  -5.967   3.553
  587    HB2  LEU  72           HB2      LEU  72 -10.505  -4.934   5.459
  588    HB3  LEU  72           HB3      LEU  72 -10.062  -6.219   4.370
  589    HG   LEU  72           HG       LEU  72  -8.317  -4.496   4.724
  590   HD11  LEU  72          HD11      LEU  72  -9.194  -5.638   2.263
  591   HD12  LEU  72          HD12      LEU  72  -7.557  -5.330   2.848
  592   HD13  LEU  72          HD13      LEU  72  -8.424  -4.074   1.964
  593   HD21  LEU  72          HD21      LEU  72 -10.220  -2.684   3.245
  594   HD22  LEU  72          HD22      LEU  72  -8.510  -2.350   3.508
  595   HD23  LEU  72          HD23      LEU  72  -9.602  -2.485   4.884
  596    H    HIS  73           H        HIS  73 -12.499  -2.686   3.111
  597    HA   HIS  73           HA       HIS  73 -13.843  -1.087   3.988
  598    HB2  HIS  73           HB2      HIS  73 -15.407  -3.206   3.989
  599    HB3  HIS  73           HB3      HIS  73 -15.205  -3.111   5.733
  600    HD1  HIS  73           HD1      HIS  73 -16.977  -1.570   2.890
  601    HD2  HIS  73           HD2      HIS  73 -16.330  -0.748   6.920
  602    HE1  HIS  73           HE1      HIS  73 -18.662   0.199   3.508
  603    HE2  HIS  73           HE2      HIS  73 -18.363   0.550   5.986
  604    H    GLY  74           H        GLY  74 -11.400  -2.181   5.296
  605    HA2  GLY  74           HA2      GLY  74 -11.728  -1.957   8.132
  606    HA3  GLY  74           HA3      GLY  74 -10.198  -1.998   7.267
  607    H    THR  75           H        THR  75 -11.256   0.279   5.617
  608    HA   THR  75           HA       THR  75 -11.128   2.494   5.447
  609    HB   THR  75           HB       THR  75 -11.889   3.983   7.212
  610    HG1  THR  75           HG1      THR  75 -11.395   1.790   8.803
  611   HG21  THR  75          HG21      THR  75 -13.558   2.932   5.795
  612   HG22  THR  75          HG22      THR  75 -14.185   3.111   7.434
  613   HG23  THR  75          HG23      THR  75 -13.626   1.535   6.870
  614    H    LEU  76           H        LEU  76  -9.795   4.243   5.713
  615    HA   LEU  76           HA       LEU  76  -7.270   3.564   7.055
  616    HB2  LEU  76           HB2      LEU  76  -7.914   4.828   4.403
  617    HB3  LEU  76           HB3      LEU  76  -6.333   5.004   5.136
  618    HG   LEU  76           HG       LEU  76  -6.292   3.269   3.459
  619   HD11  LEU  76          HD11      LEU  76  -5.408   1.425   4.792
  620   HD12  LEU  76          HD12      LEU  76  -6.124   2.137   6.239
  621   HD13  LEU  76          HD13      LEU  76  -4.845   2.992   5.375
  622   HD21  LEU  76          HD21      LEU  76  -8.625   2.608   3.472
  623   HD22  LEU  76          HD22      LEU  76  -8.422   1.879   5.066
  624   HD23  LEU  76          HD23      LEU  76  -7.570   1.209   3.674
  625    HA   PRO  77           HA       PRO  77  -6.807   7.754   8.842
  626    HB2  PRO  77           HB2      PRO  77  -5.093   8.149   6.470
  627    HB3  PRO  77           HB3      PRO  77  -4.830   8.735   8.109
  628    HG2  PRO  77           HG2      PRO  77  -3.542   6.587   7.260
  629    HG3  PRO  77           HG3      PRO  77  -4.244   6.610   8.890
  630    HD2  PRO  77           HD2      PRO  77  -5.138   5.149   6.470
  631    HD3  PRO  77           HD3      PRO  77  -5.377   4.756   8.184
  632    H    LYS  78           H        LYS  78  -8.298   9.324   8.627
  633    HA   LYS  78           HA       LYS  78  -9.701   9.644   6.136
  634    HB2  LYS  78           HB2      LYS  78 -10.892   9.743   8.278
  635    HB3  LYS  78           HB3      LYS  78  -9.946  11.145   8.754
  636    HG2  LYS  78           HG2      LYS  78 -12.218  11.726   8.022
  637    HG3  LYS  78           HG3      LYS  78 -10.972  12.482   7.033
  638    HD2  LYS  78           HD2      LYS  78 -11.352  10.981   5.243
  639    HD3  LYS  78           HD3      LYS  78 -12.327   9.913   6.253
  640    HE2  LYS  78           HE2      LYS  78 -13.675  11.284   4.694
  641    HE3  LYS  78           HE3      LYS  78 -14.084  11.549   6.388
  642    HZ1  LYS  78           HZ1      LYS  78 -13.926  13.597   5.005
  643    HZ2  LYS  78           HZ2      LYS  78 -12.258  13.329   4.859
  644    HZ3  LYS  78           HZ3      LYS  78 -12.940  13.610   6.385
  645    H    LEU  79           H        LEU  79  -7.858  10.307   4.870
  646    HA   LEU  79           HA       LEU  79  -7.448  13.186   5.102
  647    HB2  LEU  79           HB2      LEU  79  -5.241  12.758   3.887
  648    HB3  LEU  79           HB3      LEU  79  -5.334  12.385   5.595
  649    HG   LEU  79           HG       LEU  79  -5.824   9.971   4.853
  650   HD11  LEU  79          HD11      LEU  79  -6.264  10.446   2.503
  651   HD12  LEU  79          HD12      LEU  79  -4.910   9.332   2.693
  652   HD13  LEU  79          HD13      LEU  79  -4.611  11.026   2.304
  653   HD21  LEU  79          HD21      LEU  79  -3.775  10.696   5.928
  654   HD22  LEU  79          HD22      LEU  79  -3.124  11.210   4.372
  655   HD23  LEU  79          HD23      LEU  79  -3.437   9.500   4.675
  656    H    ASN  80           H        ASN  80  -8.706  10.795   3.361
  657    HA   ASN  80           HA       ASN  80  -9.767  10.632   1.388
  658    HB2  ASN  80           HB2      ASN  80  -9.309  13.603   1.396
  659    HB3  ASN  80           HB3      ASN  80 -10.012  12.800  -0.002
  660   HD21  ASN  80          HD21      ASN  80 -11.579  10.868   1.376
  661   HD22  ASN  80          HD22      ASN  80 -12.846  11.698   2.199
  662    H    PHE  81           H        PHE  81  -9.166   9.813  -0.486
  663    HA   PHE  81           HA       PHE  81  -6.272   9.922  -0.885
  664    HB2  PHE  81           HB2      PHE  81  -8.035   7.875  -2.172
  665    HB3  PHE  81           HB3      PHE  81  -6.379   7.745  -1.605
  666    HD1  PHE  81           HD2      PHE  81  -5.938   7.672   0.875
  667    HD2  PHE  81           HD1      PHE  81  -9.808   7.175  -0.823
  668    HE1  PHE  81           HE2      PHE  81  -6.707   6.596   2.952
  669    HE2  PHE  81           HE1      PHE  81 -10.582   6.098   1.246
  670    HZ   PHE  81           HZ       PHE  81  -9.032   5.806   3.138
  671    H    GLY  82           H        GLY  82  -8.591  11.659  -2.033
  672    HA2  GLY  82           HA2      GLY  82  -8.698  11.170  -4.819
  673    HA3  GLY  82           HA3      GLY  82  -9.172  12.657  -4.013
  674    H    MET  83           H        MET  83  -6.215  12.530  -2.925
  675    HA   MET  83           HA       MET  83  -5.205  14.275  -4.979
  676    HB2  MET  83           HB2      MET  83  -3.488  14.858  -3.501
  677    HB3  MET  83           HB3      MET  83  -4.848  14.531  -2.442
  678    HG2  MET  83           HG2      MET  83  -2.589  12.625  -3.023
  679    HG3  MET  83           HG3      MET  83  -2.749  13.623  -1.581
  680    HE1  MET  83           HE1      MET  83  -3.394   9.992  -0.247
  681    HE2  MET  83           HE2      MET  83  -2.394  11.437  -0.115
  682    HE3  MET  83           HE3      MET  83  -2.298  10.428  -1.558
  683    H    LEU  84           H        LEU  84  -5.108  10.969  -4.381
  684    HA   LEU  84           HA       LEU  84  -2.729  10.650  -6.094
  685    HB2  LEU  84           HB2      LEU  84  -2.541   9.758  -3.760
  686    HB3  LEU  84           HB3      LEU  84  -3.838   8.639  -4.137
  687    HG   LEU  84           HG       LEU  84  -2.363   7.750  -6.004
  688   HD11  LEU  84          HD11      LEU  84  -0.831   9.599  -6.202
  689   HD12  LEU  84          HD12      LEU  84   0.052   8.144  -5.739
  690   HD13  LEU  84          HD13      LEU  84  -0.305   9.383  -4.534
  691   HD21  LEU  84          HD21      LEU  84  -2.706   6.587  -3.869
  692   HD22  LEU  84          HD22      LEU  84  -1.337   7.465  -3.186
  693   HD23  LEU  84          HD23      LEU  84  -1.084   6.334  -4.516
  694    H    ARG  85           H        ARG  85  -6.083  10.010  -5.719
  695    HA   ARG  85           HA       ARG  85  -6.468   7.697  -7.170
  696    HB2  ARG  85           HB2      ARG  85  -8.195  10.132  -6.856
  697    HB3  ARG  85           HB3      ARG  85  -8.725   8.741  -7.787
  698    HG2  ARG  85           HG2      ARG  85  -8.387   7.344  -5.749
  699    HG3  ARG  85           HG3      ARG  85  -8.067   8.833  -4.854
  700    HD2  ARG  85           HD2      ARG  85 -10.396   8.138  -4.597
  701    HD3  ARG  85           HD3      ARG  85 -10.282   9.677  -5.452
  702    HE   ARG  85           HE       ARG  85 -10.478   7.251  -7.074
  703   HH11  ARG  85          HH11      ARG  85 -12.112  10.049  -5.710
  704   HH12  ARG  85          HH12      ARG  85 -13.410  10.006  -6.870
  705   HH21  ARG  85          HH21      ARG  85 -12.166   7.180  -8.562
  706   HH22  ARG  85          HH22      ARG  85 -13.445   8.362  -8.505
  707    H    LYS  86           H        LYS  86  -5.581   7.249  -9.044
  708    HA   LYS  86           HA       LYS  86  -5.192   7.228 -11.274
  709    HB2  LYS  86           HB2      LYS  86  -7.346   9.347 -11.439
  710    HB3  LYS  86           HB3      LYS  86  -6.787   8.314 -12.749
  711    HG2  LYS  86           HG2      LYS  86  -8.134   7.319 -10.243
  712    HG3  LYS  86           HG3      LYS  86  -8.949   7.605 -11.781
  713    HD2  LYS  86           HD2      LYS  86  -7.928   5.812 -12.810
  714    HD3  LYS  86           HD3      LYS  86  -6.548   5.832 -11.713
  715    HE2  LYS  86           HE2      LYS  86  -8.108   3.896 -11.413
  716    HE3  LYS  86           HE3      LYS  86  -7.821   4.849  -9.961
  717    HZ1  LYS  86           HZ1      LYS  86 -10.154   4.285 -10.220
  718    HZ2  LYS  86           HZ2      LYS  86 -10.206   5.076 -11.720
  719    HZ3  LYS  86           HZ3      LYS  86  -9.927   5.957 -10.299
  720    H    MET  87           H        MET  87  -4.103   9.323  -9.346
  721    HA   MET  87           HA       MET  87  -3.234  11.384 -11.230
  722    HB2  MET  87           HB2      MET  87  -4.260  11.812  -8.865
  723    HB3  MET  87           HB3      MET  87  -2.655  11.378  -8.302
  724    HG2  MET  87           HG2      MET  87  -2.827  13.762  -8.470
  725    HG3  MET  87           HG3      MET  87  -1.698  13.159  -9.682
  726    HE1  MET  87           HE1      MET  87  -5.362  14.474  -9.051
  727    HE2  MET  87           HE2      MET  87  -5.609  12.906  -9.820
  728    HE3  MET  87           HE3      MET  87  -6.037  14.386 -10.678
  729    H    GLY  88           H        GLY  88  -2.129   8.908  -9.052
  730    HA2  GLY  88           HA2      GLY  88   0.293   8.532 -10.537
  731    HA3  GLY  88           HA3      GLY  88   0.562   9.214  -8.935
  Start of MODEL    8
    1    H1   PHE   1           HT1      PHE   1  10.869 -13.167  -0.817
    2    H2   PHE   1           HT2      PHE   1  10.399 -13.858   0.659
    3    H3   PHE   1           HT3      PHE   1  11.993 -14.035   0.111
    4    HA   PHE   1           HA       PHE   1  11.878 -12.397   1.855
    5    HB2  PHE   1           HB2      PHE   1  13.568 -12.103   0.121
    6    HB3  PHE   1           HB3      PHE   1  12.410 -11.264  -0.904
    7    HD1  PHE   1           HD2      PHE   1  13.935 -11.026   2.487
    8    HD2  PHE   1           HD1      PHE   1  12.380  -8.963  -0.895
    9    HE1  PHE   1           HE2      PHE   1  14.592  -8.882   3.498
   10    HE2  PHE   1           HE1      PHE   1  13.036  -6.816   0.110
   11    HZ   PHE   1           HZ       PHE   1  14.142  -6.773   2.309
   12    H    LEU   2           H        LEU   2  10.109 -11.715   2.874
   13    HA   LEU   2           HA       LEU   2   8.388  -9.789   1.475
   14    HB2  LEU   2           HB2      LEU   2   6.759 -10.131   3.211
   15    HB3  LEU   2           HB3      LEU   2   7.271 -11.696   2.620
   16    HG   LEU   2           HG       LEU   2   8.928 -11.512   4.714
   17   HD11  LEU   2          HD11      LEU   2   7.773 -10.513   6.623
   18   HD12  LEU   2          HD12      LEU   2   6.516  -9.902   5.547
   19   HD13  LEU   2          HD13      LEU   2   8.167  -9.303   5.402
   20   HD21  LEU   2          HD21      LEU   2   6.032 -12.325   4.878
   21   HD22  LEU   2          HD22      LEU   2   7.311 -12.828   5.981
   22   HD23  LEU   2          HD23      LEU   2   7.361 -13.324   4.290
   23    H    LEU   3           H        LEU   3   8.162  -7.699   2.251
   24    HA   LEU   3           HA       LEU   3  10.369  -6.689   3.744
   25    HB2  LEU   3           HB2      LEU   3   7.855  -5.447   2.666
   26    HB3  LEU   3           HB3      LEU   3   8.943  -4.542   3.698
   27    HG   LEU   3           HG       LEU   3   9.449  -3.979   1.439
   28   HD11  LEU   3          HD11      LEU   3  11.509  -5.920   2.470
   29   HD12  LEU   3          HD12      LEU   3  11.354  -4.225   2.939
   30   HD13  LEU   3          HD13      LEU   3  11.786  -4.646   1.282
   31   HD21  LEU   3          HD21      LEU   3  10.089  -5.631  -0.238
   32   HD22  LEU   3          HD22      LEU   3   8.447  -5.920   0.338
   33   HD23  LEU   3          HD23      LEU   3   9.774  -6.931   0.910
   34    HA   PRO   4           HA       PRO   4   8.857  -7.641   7.802
   35    HB2  PRO   4           HB2      PRO   4  10.562  -5.269   8.430
   36    HB3  PRO   4           HB3      PRO   4  10.522  -6.859   9.201
   37    HG2  PRO   4           HG2      PRO   4  12.485  -6.211   7.520
   38    HG3  PRO   4           HG3      PRO   4  11.798  -7.846   7.535
   39    HD2  PRO   4           HD2      PRO   4  11.409  -5.642   5.571
   40    HD3  PRO   4           HD3      PRO   4  11.433  -7.402   5.307
   41    HA   PRO   5           HA       PRO   5   5.375  -4.896   7.778
   42    HB2  PRO   5           HB2      PRO   5   5.142  -5.899  10.575
   43    HB3  PRO   5           HB3      PRO   5   3.927  -5.850   9.292
   44    HG2  PRO   5           HG2      PRO   5   5.090  -8.143   9.937
   45    HG3  PRO   5           HG3      PRO   5   4.784  -7.740   8.237
   46    HD2  PRO   5           HD2      PRO   5   7.349  -7.631   9.779
   47    HD3  PRO   5           HD3      PRO   5   7.060  -8.144   8.102
   48    H    SER   6           H        SER   6   5.419  -2.785   8.056
   49    HA   SER   6           HA       SER   6   5.595  -0.729   8.983
   50    HB2  SER   6           HB2      SER   6   6.068  -2.217  11.578
   51    HB3  SER   6           HB3      SER   6   5.711  -0.497  11.429
   52    HG   SER   6           HG       SER   6   3.727  -1.190  10.333
   53    H    THR   7           H        THR   7   7.911  -2.329   7.997
   54    HA   THR   7           HA       THR   7  10.026  -0.665   9.200
   55    HB   THR   7           HB       THR   7  10.447  -3.304   7.785
   56    HG1  THR   7           HG1      THR   7   9.243  -3.388   9.855
   57   HG21  THR   7          HG21      THR   7  12.665  -3.212   8.823
   58   HG22  THR   7          HG22      THR   7  12.270  -1.654   9.549
   59   HG23  THR   7          HG23      THR   7  12.392  -1.807   7.797
   60    H    ALA   8           H        ALA   8   9.831   1.062   7.809
   61    HA   ALA   8           HA       ALA   8   9.461   0.577   4.979
   62    HB1  ALA   8           HB1      ALA   8   9.545   3.180   6.498
   63    HB2  ALA   8           HB2      ALA   8   8.094   2.272   6.074
   64    HB3  ALA   8           HB3      ALA   8   9.092   2.981   4.805
   65    H    CYS   9           H        CYS   9  11.501  -0.308   4.513
   66    HA   CYS   9           HA       CYS   9  13.174   1.730   3.383
   67    HB2  CYS   9           HB2      CYS   9  14.240   1.471   5.603
   68    HB3  CYS   9           HB3      CYS   9  14.428  -0.254   5.302
   69    H    CYS  10           H        CYS  10  12.832   0.986   1.387
   70    HA   CYS  10           HA       CYS  10  13.073  -1.913   0.940
   71    HB2  CYS  10           HB2      CYS  10  10.846  -0.317   0.572
   72    HB3  CYS  10           HB3      CYS  10  11.537  -0.415  -1.047
   73    H    THR  11           H        THR  11  14.774  -2.454  -0.272
   74    HA   THR  11           HA       THR  11  16.097  -0.416  -1.857
   75    HB   THR  11           HB       THR  11  17.814  -2.268  -2.188
   76    HG1  THR  11           HG1      THR  11  17.183  -4.182  -1.562
   77   HG21  THR  11          HG21      THR  11  17.164  -1.477   0.655
   78   HG22  THR  11          HG22      THR  11  18.056  -0.486  -0.498
   79   HG23  THR  11          HG23      THR  11  18.732  -2.019   0.057
   80    H    GLN  12           H        GLN  12  13.557  -2.249  -2.509
   81    HA   GLN  12           HA       GLN  12  14.062  -2.244  -5.325
   82    HB2  GLN  12           HB2      GLN  12  13.262  -4.726  -5.471
   83    HB3  GLN  12           HB3      GLN  12  14.953  -4.358  -5.201
   84    HG2  GLN  12           HG2      GLN  12  14.217  -6.209  -3.819
   85    HG3  GLN  12           HG3      GLN  12  14.700  -4.836  -2.828
   86   HE21  GLN  12          HE21      GLN  12  13.233  -3.892  -1.516
   87   HE22  GLN  12          HE22      GLN  12  11.612  -4.440  -1.303
   88    H    LEU  13           H        LEU  13  12.150  -2.731  -6.597
   89    HA   LEU  13           HA       LEU  13   9.647  -2.438  -5.065
   90    HB2  LEU  13           HB2      LEU  13  10.342  -1.174  -7.723
   91    HB3  LEU  13           HB3      LEU  13   8.790  -1.058  -6.917
   92    HG   LEU  13           HG       LEU  13  11.378   0.039  -5.815
   93   HD11  LEU  13          HD11      LEU  13   9.077   1.426  -7.184
   94   HD12  LEU  13          HD12      LEU  13  10.717   1.250  -7.806
   95   HD13  LEU  13          HD13      LEU  13  10.418   2.234  -6.373
   96   HD21  LEU  13          HD21      LEU  13   9.737  -0.591  -4.105
   97   HD22  LEU  13          HD22      LEU  13   8.520   0.395  -4.914
   98   HD23  LEU  13          HD23      LEU  13   9.940   1.157  -4.200
   99    H    TYR  14           H        TYR  14   7.888  -3.631  -5.799
  100    HA   TYR  14           HA       TYR  14   8.539  -6.030  -7.165
  101    HB2  TYR  14           HB2      TYR  14   6.740  -5.784  -5.425
  102    HB3  TYR  14           HB3      TYR  14   5.767  -4.940  -6.625
  103    HD1  TYR  14           HD1      TYR  14   7.815  -8.075  -6.624
  104    HD2  TYR  14           HD2      TYR  14   4.063  -6.248  -7.444
  105    HE1  TYR  14           HE1      TYR  14   6.951 -10.231  -7.432
  106    HE2  TYR  14           HE2      TYR  14   3.189  -8.396  -8.255
  107    HH   TYR  14           HH       TYR  14   4.784 -11.353  -7.751
  108    H    ARG  15           H        ARG  15   7.027  -3.027  -8.145
  109    HA   ARG  15           HA       ARG  15   6.686  -2.071 -10.175
  110    HB2  ARG  15           HB2      ARG  15   8.753  -4.133 -10.927
  111    HB3  ARG  15           HB3      ARG  15   8.162  -2.919 -12.054
  112    HG2  ARG  15           HG2      ARG  15   9.005  -1.149 -10.663
  113    HG3  ARG  15           HG3      ARG  15   9.467  -2.306  -9.414
  114    HD2  ARG  15           HD2      ARG  15  10.562  -2.389 -12.211
  115    HD3  ARG  15           HD3      ARG  15  11.322  -1.468 -10.916
  116    HE   ARG  15           HE       ARG  15  11.314  -3.782  -9.742
  117   HH11  ARG  15          HH11      ARG  15  11.768  -3.248 -13.171
  118   HH12  ARG  15          HH12      ARG  15  12.853  -4.590 -13.379
  119   HH21  ARG  15          HH21      ARG  15  12.778  -5.526  -9.988
  120   HH22  ARG  15          HH22      ARG  15  13.434  -5.881 -11.565
  121    H    LYS  16           H        LYS  16   4.998  -4.343  -9.346
  122    HA   LYS  16           HA       LYS  16   3.760  -4.858 -11.930
  123    HB2  LYS  16           HB2      LYS  16   5.250  -6.782 -11.536
  124    HB3  LYS  16           HB3      LYS  16   4.499  -7.044  -9.969
  125    HG2  LYS  16           HG2      LYS  16   2.347  -7.472 -11.134
  126    HG3  LYS  16           HG3      LYS  16   3.210  -7.350 -12.671
  127    HD2  LYS  16           HD2      LYS  16   4.660  -9.202 -12.005
  128    HD3  LYS  16           HD3      LYS  16   3.810  -9.318 -10.463
  129    HE2  LYS  16           HE2      LYS  16   2.999 -11.012 -11.996
  130    HE3  LYS  16           HE3      LYS  16   1.730  -9.833 -11.667
  131    HZ1  LYS  16           HZ1      LYS  16   1.943 -10.478 -14.034
  132    HZ2  LYS  16           HZ2      LYS  16   3.478  -9.751 -14.066
  133    HZ3  LYS  16           HZ3      LYS  16   2.096  -8.812 -13.769
  134    HA   PRO  17           HA       PRO  17   0.140  -3.931  -9.479
  135    HB2  PRO  17           HB2      PRO  17  -1.265  -5.523 -11.548
  136    HB3  PRO  17           HB3      PRO  17  -1.550  -3.860 -11.025
  137    HG2  PRO  17           HG2      PRO  17  -0.401  -4.379 -13.377
  138    HG3  PRO  17           HG3      PRO  17   0.118  -3.002 -12.387
  139    HD2  PRO  17           HD2      PRO  17   1.420  -5.671 -12.759
  140    HD3  PRO  17           HD3      PRO  17   2.161  -4.061 -12.639
  141    H    LEU  18           H        LEU  18  -1.112  -4.996  -7.986
  142    HA   LEU  18           HA       LEU  18  -0.383  -7.791  -7.576
  143    HB2  LEU  18           HB2      LEU  18  -1.756  -5.843  -5.722
  144    HB3  LEU  18           HB3      LEU  18  -1.216  -7.457  -5.294
  145    HG   LEU  18           HG       LEU  18   0.574  -5.162  -6.111
  146   HD11  LEU  18          HD11      LEU  18   0.147  -6.453  -3.416
  147   HD12  LEU  18          HD12      LEU  18  -0.390  -4.842  -3.896
  148   HD13  LEU  18          HD13      LEU  18   1.334  -5.201  -3.792
  149   HD21  LEU  18          HD21      LEU  18   2.411  -6.645  -5.461
  150   HD22  LEU  18          HD22      LEU  18   1.486  -7.304  -6.811
  151   HD23  LEU  18          HD23      LEU  18   1.258  -7.951  -5.187
  152    H    SER  19           H        SER  19  -2.026  -9.307  -6.814
  153    HA   SER  19           HA       SER  19  -4.373  -9.157  -8.472
  154    HB2  SER  19           HB2      SER  19  -3.566 -11.296  -6.493
  155    HB3  SER  19           HB3      SER  19  -4.766 -11.449  -7.778
  156    HG   SER  19           HG       SER  19  -2.726 -10.708  -9.095
  157    H    ASP  20           H        ASP  20  -6.484  -8.944  -7.823
  158    HA   ASP  20           HA       ASP  20  -6.900  -7.282  -5.598
  159    HB2  ASP  20           HB2      ASP  20  -8.304  -7.352  -7.679
  160    HB3  ASP  20           HB3      ASP  20  -9.029  -8.830  -7.056
  161    H    LYS  21           H        LYS  21  -7.141 -10.723  -5.953
  162    HA   LYS  21           HA       LYS  21  -8.779 -11.294  -3.738
  163    HB2  LYS  21           HB2      LYS  21  -6.594 -13.004  -4.931
  164    HB3  LYS  21           HB3      LYS  21  -7.880 -13.564  -3.873
  165    HG2  LYS  21           HG2      LYS  21  -9.523 -12.846  -5.595
  166    HG3  LYS  21           HG3      LYS  21  -8.165 -12.479  -6.662
  167    HD2  LYS  21           HD2      LYS  21  -7.417 -14.812  -6.484
  168    HD3  LYS  21           HD3      LYS  21  -8.805 -15.169  -5.456
  169    HE2  LYS  21           HE2      LYS  21 -10.288 -14.453  -7.321
  170    HE3  LYS  21           HE3      LYS  21  -8.858 -14.287  -8.338
  171    HZ1  LYS  21           HZ1      LYS  21  -9.770 -16.407  -8.774
  172    HZ2  LYS  21           HZ2      LYS  21  -9.950 -16.761  -7.128
  173    HZ3  LYS  21           HZ3      LYS  21  -8.401 -16.684  -7.813
  174    H    LEU  22           H        LEU  22  -5.241 -11.159  -4.061
  175    HA   LEU  22           HA       LEU  22  -4.819 -11.574  -1.265
  176    HB2  LEU  22           HB2      LEU  22  -2.486 -11.115  -1.699
  177    HB3  LEU  22           HB3      LEU  22  -3.118 -12.206  -2.911
  178    HG   LEU  22           HG       LEU  22  -3.382 -10.003  -4.326
  179   HD11  LEU  22          HD11      LEU  22  -1.174  -9.270  -2.407
  180   HD12  LEU  22          HD12      LEU  22  -2.743  -8.475  -2.536
  181   HD13  LEU  22          HD13      LEU  22  -1.603  -8.396  -3.878
  182   HD21  LEU  22          HD21      LEU  22  -1.140 -10.392  -5.236
  183   HD22  LEU  22          HD22      LEU  22  -1.999 -11.901  -4.932
  184   HD23  LEU  22          HD23      LEU  22  -0.740 -11.366  -3.819
  185    H    LEU  23           H        LEU  23  -5.431  -8.881  -3.324
  186    HA   LEU  23           HA       LEU  23  -4.477  -6.785  -1.742
  187    HB2  LEU  23           HB2      LEU  23  -6.605  -6.996  -3.824
  188    HB3  LEU  23           HB3      LEU  23  -6.435  -5.509  -2.924
  189    HG   LEU  23           HG       LEU  23  -4.333  -6.795  -4.677
  190   HD11  LEU  23          HD11      LEU  23  -4.611  -4.790  -6.047
  191   HD12  LEU  23          HD12      LEU  23  -5.892  -4.232  -4.972
  192   HD13  LEU  23          HD13      LEU  23  -6.118  -5.700  -5.924
  193   HD21  LEU  23          HD21      LEU  23  -3.008  -4.773  -4.227
  194   HD22  LEU  23          HD22      LEU  23  -3.266  -5.737  -2.773
  195   HD23  LEU  23          HD23      LEU  23  -4.207  -4.268  -3.033
  196    H    ARG  24           H        ARG  24  -7.707  -8.338  -1.752
  197    HA   ARG  24           HA       ARG  24  -8.881  -6.590   0.096
  198    HB2  ARG  24           HB2      ARG  24 -10.626  -8.192   0.350
  199    HB3  ARG  24           HB3      ARG  24 -10.084  -8.275  -1.318
  200    HG2  ARG  24           HG2      ARG  24  -8.725 -10.262  -0.725
  201    HG3  ARG  24           HG3      ARG  24  -9.425 -10.206   0.894
  202    HD2  ARG  24           HD2      ARG  24 -10.903 -10.602  -1.704
  203    HD3  ARG  24           HD3      ARG  24 -10.620 -11.816  -0.459
  204    HE   ARG  24           HE       ARG  24 -12.151  -9.417   0.234
  205   HH11  ARG  24          HH11      ARG  24 -12.051 -12.863  -0.329
  206   HH12  ARG  24          HH12      ARG  24 -13.629 -13.155   0.338
  207   HH21  ARG  24          HH21      ARG  24 -14.241  -9.782   1.100
  208   HH22  ARG  24          HH22      ARG  24 -14.879 -11.400   1.140
  209    H    LYS  25           H        LYS  25  -6.343  -8.662   0.649
  210    HA   LYS  25           HA       LYS  25  -6.948  -9.096   3.485
  211    HB2  LYS  25           HB2      LYS  25  -4.439  -9.981   2.124
  212    HB3  LYS  25           HB3      LYS  25  -5.228 -10.667   3.535
  213    HG2  LYS  25           HG2      LYS  25  -7.090 -11.400   2.028
  214    HG3  LYS  25           HG3      LYS  25  -6.082 -10.910   0.664
  215    HD2  LYS  25           HD2      LYS  25  -5.529 -13.050   2.705
  216    HD3  LYS  25           HD3      LYS  25  -5.727 -13.234   0.962
  217    HE2  LYS  25           HE2      LYS  25  -3.667 -12.007   0.579
  218    HE3  LYS  25           HE3      LYS  25  -3.482 -11.759   2.315
  219    HZ1  LYS  25           HZ1      LYS  25  -3.321 -14.159   2.596
  220    HZ2  LYS  25           HZ2      LYS  25  -2.108 -13.579   1.563
  221    HZ3  LYS  25           HZ3      LYS  25  -3.455 -14.381   0.917
  222    H    VAL  26           H        VAL  26  -5.516  -6.812   1.541
  223    HA   VAL  26           HA       VAL  26  -3.211  -6.192   3.139
  224    HB   VAL  26           HB       VAL  26  -4.607  -4.433   1.103
  225   HG11  VAL  26          HG11      VAL  26  -3.121  -3.215   2.613
  226   HG12  VAL  26          HG12      VAL  26  -2.463  -3.269   0.977
  227   HG13  VAL  26          HG13      VAL  26  -1.813  -4.331   2.226
  228   HG21  VAL  26          HG21      VAL  26  -2.884  -5.211  -0.471
  229   HG22  VAL  26          HG22      VAL  26  -3.914  -6.532   0.084
  230   HG23  VAL  26          HG23      VAL  26  -2.292  -6.337   0.750
  231    H    ILE  27           H        ILE  27  -3.190  -5.064   4.979
  232    HA   ILE  27           HA       ILE  27  -5.799  -4.097   5.890
  233    HB   ILE  27           HB       ILE  27  -4.908  -4.378   8.171
  234   HG12  ILE  27          HG12      ILE  27  -2.476  -5.491   6.745
  235   HG13  ILE  27          HG13      ILE  27  -2.527  -4.008   7.693
  236   HG21  ILE  27          HG21      ILE  27  -4.841  -6.851   8.129
  237   HG22  ILE  27          HG22      ILE  27  -4.692  -6.795   6.369
  238   HG23  ILE  27          HG23      ILE  27  -6.151  -6.185   7.153
  239   HD11  ILE  27          HD11      ILE  27  -1.501  -5.787   8.957
  240   HD12  ILE  27          HD12      ILE  27  -2.921  -6.806   8.729
  241   HD13  ILE  27          HD13      ILE  27  -3.037  -5.335   9.697
  242    H    GLN  28           H        GLN  28  -2.635  -2.966   5.128
  243    HA   GLN  28           HA       GLN  28  -3.400  -0.287   5.994
  244    HB2  GLN  28           HB2      GLN  28  -0.904  -1.708   6.922
  245    HB3  GLN  28           HB3      GLN  28  -1.056   0.043   6.935
  246    HG2  GLN  28           HG2      GLN  28  -2.859  -1.867   8.406
  247    HG3  GLN  28           HG3      GLN  28  -1.524  -0.962   9.121
  248   HE21  GLN  28          HE21      GLN  28  -4.404  -0.932   9.684
  249   HE22  GLN  28          HE22      GLN  28  -4.913   0.715   9.498
  250    H    VAL  29           H        VAL  29  -2.204   1.395   5.003
  251    HA   VAL  29           HA       VAL  29  -0.498   0.598   2.737
  252    HB   VAL  29           HB       VAL  29  -2.466   2.902   2.742
  253   HG11  VAL  29          HG11      VAL  29  -1.849   3.172   0.396
  254   HG12  VAL  29          HG12      VAL  29  -0.678   1.862   0.543
  255   HG13  VAL  29          HG13      VAL  29  -0.443   3.360   1.443
  256   HG21  VAL  29          HG21      VAL  29  -3.687   1.636   1.044
  257   HG22  VAL  29          HG22      VAL  29  -3.608   0.753   2.571
  258   HG23  VAL  29          HG23      VAL  29  -2.557   0.295   1.230
  259    H    GLU  30           H        GLU  30   1.501   1.397   2.998
  260    HA   GLU  30           HA       GLU  30   1.792   3.842   4.603
  261    HB2  GLU  30           HB2      GLU  30   3.940   2.770   5.467
  262    HB3  GLU  30           HB3      GLU  30   2.421   2.143   6.091
  263    HG2  GLU  30           HG2      GLU  30   2.702   0.424   4.116
  264    HG3  GLU  30           HG3      GLU  30   4.403   0.877   4.273
  265    H    LEU  31           H        LEU  31   3.443   5.236   4.067
  266    HA   LEU  31           HA       LEU  31   4.473   4.851   1.345
  267    HB2  LEU  31           HB2      LEU  31   3.087   6.800   1.564
  268    HB3  LEU  31           HB3      LEU  31   3.969   7.333   2.982
  269    HG   LEU  31           HG       LEU  31   5.965   7.723   1.567
  270   HD11  LEU  31          HD11      LEU  31   5.521   6.105  -0.187
  271   HD12  LEU  31          HD12      LEU  31   5.718   7.721  -0.869
  272   HD13  LEU  31          HD13      LEU  31   4.106   7.026  -0.699
  273   HD21  LEU  31          HD21      LEU  31   3.462   9.120   0.637
  274   HD22  LEU  31          HD22      LEU  31   5.109   9.709   0.427
  275   HD23  LEU  31          HD23      LEU  31   4.429   9.552   2.047
  276    H    GLN  32           H        GLN  32   6.542   4.518   1.038
  277    HA   GLN  32           HA       GLN  32   8.460   5.120   3.169
  278    HB2  GLN  32           HB2      GLN  32   8.256   2.883   1.746
  279    HB3  GLN  32           HB3      GLN  32   9.212   3.797   0.587
  280    HG2  GLN  32           HG2      GLN  32   9.945   2.976   3.379
  281    HG3  GLN  32           HG3      GLN  32  10.712   2.509   1.864
  282   HE21  GLN  32          HE21      GLN  32  11.986   4.035   0.772
  283   HE22  GLN  32          HE22      GLN  32  12.666   5.390   1.597
  284    H    GLU  33           H        GLU  33   9.597   6.964   3.028
  285    HA   GLU  33           HA       GLU  33   8.987   8.735   0.848
  286    HB2  GLU  33           HB2      GLU  33  10.697   9.179   3.298
  287    HB3  GLU  33           HB3      GLU  33  10.130  10.427   2.191
  288    HG2  GLU  33           HG2      GLU  33   7.820   9.900   2.774
  289    HG3  GLU  33           HG3      GLU  33   8.388   8.653   3.886
  290    H    ALA  34           H        ALA  34  10.694  10.117  -0.131
  291    HA   ALA  34           HA       ALA  34  12.567   8.349  -1.413
  292    HB1  ALA  34           HB1      ALA  34  11.288  10.006  -2.682
  293    HB2  ALA  34           HB2      ALA  34  13.025  10.223  -2.886
  294    HB3  ALA  34           HB3      ALA  34  12.117  11.301  -1.823
  295    H    ASP  35           H        ASP  35  12.801   9.708   1.458
  296    HA   ASP  35           HA       ASP  35  15.599   9.574   1.647
  297    HB2  ASP  35           HB2      ASP  35  15.582  11.700   0.432
  298    HB3  ASP  35           HB3      ASP  35  14.469  12.386   1.613
  299    H    GLY  36           H        GLY  36  16.226   9.470   3.751
  300    HA2  GLY  36           HA2      GLY  36  15.583  10.382   6.067
  301    HA3  GLY  36           HA3      GLY  36  14.031   9.633   5.703
  302    H    ASP  37           H        ASP  37  13.741   7.640   6.419
  303    HA   ASP  37           HA       ASP  37  15.771   6.110   7.663
  304    HB2  ASP  37           HB2      ASP  37  13.229   5.916   7.980
  305    HB3  ASP  37           HB3      ASP  37  13.225   4.982   6.485
  306    H    CYS  38           H        CYS  38  14.204   5.941   4.530
  307    HA   CYS  38           HA       CYS  38  16.536   4.542   3.436
  308    HB2  CYS  38           HB2      CYS  38  14.171   3.258   3.935
  309    HB3  CYS  38           HB3      CYS  38  13.917   3.823   2.287
  310    H    HIS  39           H        HIS  39  17.233   5.539   1.593
  311    HA   HIS  39           HA       HIS  39  15.709   7.887   0.812
  312    HB2  HIS  39           HB2      HIS  39  17.851   8.412  -0.529
  313    HB3  HIS  39           HB3      HIS  39  17.891   8.532   1.224
  314    HD1  HIS  39           HD1      HIS  39  19.375   6.877   2.499
  315    HD2  HIS  39           HD2      HIS  39  19.421   6.345  -1.632
  316    HE1  HIS  39           HE1      HIS  39  21.311   5.337   2.029
  317    HE2  HIS  39           HE2      HIS  39  21.416   5.157  -0.483
  318    H    LEU  40           H        LEU  40  14.109   6.457  -0.226
  319    HA   LEU  40           HA       LEU  40  14.202   7.024  -2.949
  320    HB2  LEU  40           HB2      LEU  40  14.204   4.896  -4.035
  321    HB3  LEU  40           HB3      LEU  40  15.669   5.041  -3.101
  322    HG   LEU  40           HG       LEU  40  15.015   2.812  -2.910
  323   HD11  LEU  40          HD11      LEU  40  15.680   3.699  -0.774
  324   HD12  LEU  40          HD12      LEU  40  14.460   2.441  -0.577
  325   HD13  LEU  40          HD13      LEU  40  14.010   4.141  -0.414
  326   HD21  LEU  40          HD21      LEU  40  12.214   3.720  -2.303
  327   HD22  LEU  40          HD22      LEU  40  12.779   2.048  -2.265
  328   HD23  LEU  40          HD23      LEU  40  12.780   2.945  -3.784
  329    H    GLN  41           H        GLN  41  12.149   6.962  -3.857
  330    HA   GLN  41           HA       GLN  41  10.090   6.939  -1.834
  331    HB2  GLN  41           HB2      GLN  41  10.253   8.745  -3.547
  332    HB3  GLN  41           HB3      GLN  41   9.835   7.567  -4.784
  333    HG2  GLN  41           HG2      GLN  41   7.690   7.165  -3.618
  334    HG3  GLN  41           HG3      GLN  41   8.112   8.436  -2.474
  335   HE21  GLN  41          HE21      GLN  41   9.375  10.074  -4.584
  336   HE22  GLN  41          HE22      GLN  41   8.064  10.755  -5.481
  337    H    ALA  42           H        ALA  42   8.665   5.383  -1.459
  338    HA   ALA  42           HA       ALA  42   7.957   3.483  -3.556
  339    HB1  ALA  42           HB1      ALA  42   9.900   2.459  -2.486
  340    HB2  ALA  42           HB2      ALA  42   8.433   1.540  -2.144
  341    HB3  ALA  42           HB3      ALA  42   9.117   2.602  -0.913
  342    H    PHE  43           H        PHE  43   5.886   2.779  -3.377
  343    HA   PHE  43           HA       PHE  43   4.404   3.530  -0.955
  344    HB2  PHE  43           HB2      PHE  43   3.634   3.094  -3.804
  345    HB3  PHE  43           HB3      PHE  43   2.437   2.759  -2.559
  346    HD1  PHE  43           HD1      PHE  43   4.505   5.374  -4.115
  347    HD2  PHE  43           HD2      PHE  43   1.399   4.503  -1.342
  348    HE1  PHE  43           HE1      PHE  43   3.927   7.765  -4.020
  349    HE2  PHE  43           HE2      PHE  43   0.819   6.890  -1.236
  350    HZ   PHE  43           HZ       PHE  43   2.080   8.527  -2.576
  351    H    VAL  44           H        VAL  44   4.192   1.973   0.506
  352    HA   VAL  44           HA       VAL  44   4.599  -0.786  -0.412
  353    HB   VAL  44           HB       VAL  44   4.987   0.262   2.394
  354   HG11  VAL  44          HG11      VAL  44   4.675  -2.163   2.207
  355   HG12  VAL  44          HG12      VAL  44   6.321  -1.759   2.697
  356   HG13  VAL  44          HG13      VAL  44   5.989  -2.240   1.032
  357   HG21  VAL  44          HG21      VAL  44   7.389   0.322   1.862
  358   HG22  VAL  44          HG22      VAL  44   6.461   1.465   0.885
  359   HG23  VAL  44          HG23      VAL  44   7.012  -0.055   0.179
  360    H    LEU  45           H        LEU  45   3.015  -2.186  -0.267
  361    HA   LEU  45           HA       LEU  45   0.596  -1.445   1.194
  362    HB2  LEU  45           HB2      LEU  45   1.100  -3.561  -0.900
  363    HB3  LEU  45           HB3      LEU  45  -0.434  -3.347  -0.074
  364    HG   LEU  45           HG       LEU  45   0.912  -1.335  -1.882
  365   HD11  LEU  45          HD11      LEU  45  -0.100  -3.203  -3.083
  366   HD12  LEU  45          HD12      LEU  45  -1.003  -1.710  -3.338
  367   HD13  LEU  45          HD13      LEU  45  -1.619  -2.935  -2.226
  368   HD21  LEU  45          HD21      LEU  45  -0.261  -0.263  -0.016
  369   HD22  LEU  45          HD22      LEU  45  -1.720  -1.163  -0.425
  370   HD23  LEU  45          HD23      LEU  45  -1.073   0.027  -1.554
  371    H    HIS  46           H        HIS  46   0.034  -2.363   3.003
  372    HA   HIS  46           HA       HIS  46   1.859  -4.373   4.102
  373    HB2  HIS  46           HB2      HIS  46   1.470  -2.093   5.176
  374    HB3  HIS  46           HB3      HIS  46  -0.138  -2.664   5.586
  375    HD1  HIS  46           HD1      HIS  46   2.607  -1.957   7.325
  376    HD2  HIS  46           HD2      HIS  46   0.583  -5.564   6.876
  377    HE1  HIS  46           HE1      HIS  46   3.191  -3.324   9.360
  378    HE2  HIS  46           HE2      HIS  46   1.819  -5.425   9.143
  379    H    LEU  47           H        LEU  47   1.004  -6.328   3.490
  380    HA   LEU  47           HA       LEU  47  -1.799  -6.908   3.928
  381    HB2  LEU  47           HB2      LEU  47   0.504  -8.676   3.094
  382    HB3  LEU  47           HB3      LEU  47  -1.136  -9.254   3.310
  383    HG   LEU  47           HG       LEU  47  -1.735  -7.417   1.555
  384   HD11  LEU  47          HD11      LEU  47   0.417  -6.329   1.471
  385   HD12  LEU  47          HD12      LEU  47   0.053  -7.060  -0.092
  386   HD13  LEU  47          HD13      LEU  47   1.198  -7.839   1.001
  387   HD21  LEU  47          HD21      LEU  47  -2.007  -9.818   1.219
  388   HD22  LEU  47          HD22      LEU  47  -0.300  -9.961   0.793
  389   HD23  LEU  47          HD23      LEU  47  -1.392  -9.041  -0.241
  390    H    ALA  48           H        ALA  48  -2.201  -9.076   5.166
  391    HA   ALA  48           HA       ALA  48  -1.701  -8.363   7.849
  392    HB1  ALA  48           HB1      ALA  48  -3.777  -9.425   7.121
  393    HB2  ALA  48           HB2      ALA  48  -3.014 -10.306   8.445
  394    HB3  ALA  48           HB3      ALA  48  -2.890 -10.914   6.792
  395    H    GLN  49           H        GLN  49   0.048 -10.320   5.689
  396    HA   GLN  49           HA       GLN  49   1.667 -11.308   7.919
  397    HB2  GLN  49           HB2      GLN  49   1.706 -13.300   5.885
  398    HB3  GLN  49           HB3      GLN  49   1.171 -13.437   7.545
  399    HG2  GLN  49           HG2      GLN  49  -0.555 -14.203   6.050
  400    HG3  GLN  49           HG3      GLN  49  -1.082 -12.754   6.894
  401   HE21  GLN  49          HE21      GLN  49   1.143 -12.506   4.243
  402   HE22  GLN  49          HE22      GLN  49   0.027 -11.882   3.089
  403    H    ARG  50           H        ARG  50   1.829  -9.278   5.513
  404    HA   ARG  50           HA       ARG  50   4.620  -9.533   5.095
  405    HB2  ARG  50           HB2      ARG  50   4.643 -10.044   2.691
  406    HB3  ARG  50           HB3      ARG  50   3.981 -11.380   3.622
  407    HG2  ARG  50           HG2      ARG  50   1.730 -10.742   2.998
  408    HG3  ARG  50           HG3      ARG  50   2.348  -9.337   2.129
  409    HD2  ARG  50           HD2      ARG  50   1.805 -11.186   0.621
  410    HD3  ARG  50           HD3      ARG  50   3.521 -10.784   0.575
  411    HE   ARG  50           HE       ARG  50   3.551 -12.758   2.335
  412   HH11  ARG  50          HH11      ARG  50   1.915 -12.531  -0.760
  413   HH12  ARG  50          HH12      ARG  50   1.849 -14.252  -0.977
  414   HH21  ARG  50          HH21      ARG  50   3.530 -14.997   2.001
  415   HH22  ARG  50          HH22      ARG  50   2.794 -15.656   0.568
  416    H    SER  51           H        SER  51   5.436  -7.925   3.493
  417    HA   SER  51           HA       SER  51   3.476  -5.835   2.859
  418    HB2  SER  51           HB2      SER  51   6.287  -5.194   3.759
  419    HB3  SER  51           HB3      SER  51   4.913  -4.100   3.607
  420    HG   SER  51           HG       SER  51   5.649  -5.707   5.686
  421    H    ILE  52           H        ILE  52   3.728  -4.897   0.881
  422    HA   ILE  52           HA       ILE  52   5.951  -5.916  -0.777
  423    HB   ILE  52           HB       ILE  52   3.112  -5.380  -1.683
  424   HG12  ILE  52          HG12      ILE  52   4.574  -8.011  -1.378
  425   HG13  ILE  52          HG13      ILE  52   3.346  -7.408  -0.269
  426   HG21  ILE  52          HG21      ILE  52   3.831  -6.390  -3.807
  427   HG22  ILE  52          HG22      ILE  52   5.481  -6.492  -3.188
  428   HG23  ILE  52          HG23      ILE  52   4.727  -4.916  -3.436
  429   HD11  ILE  52          HD11      ILE  52   1.700  -7.464  -2.084
  430   HD12  ILE  52          HD12      ILE  52   2.408  -9.049  -1.776
  431   HD13  ILE  52          HD13      ILE  52   2.937  -8.104  -3.168
  432    H    CYS  53           H        CYS  53   7.005  -4.413  -2.050
  433    HA   CYS  53           HA       CYS  53   6.202  -1.635  -1.576
  434    HB2  CYS  53           HB2      CYS  53   8.844  -2.773  -2.502
  435    HB3  CYS  53           HB3      CYS  53   8.510  -1.059  -2.270
  436    H    ILE  54           H        ILE  54   5.306  -0.532  -3.092
  437    HA   ILE  54           HA       ILE  54   5.438  -1.515  -5.855
  438    HB   ILE  54           HB       ILE  54   3.250  -0.884  -4.169
  439   HG12  ILE  54          HG12      ILE  54   3.241  -1.408  -7.145
  440   HG13  ILE  54          HG13      ILE  54   3.434  -2.656  -5.918
  441   HG21  ILE  54          HG21      ILE  54   3.525   1.445  -4.807
  442   HG22  ILE  54          HG22      ILE  54   2.017   0.771  -5.426
  443   HG23  ILE  54          HG23      ILE  54   3.392   0.998  -6.509
  444   HD11  ILE  54          HD11      ILE  54   1.037  -0.881  -6.296
  445   HD12  ILE  54          HD12      ILE  54   1.226  -2.080  -5.017
  446   HD13  ILE  54          HD13      ILE  54   1.157  -2.592  -6.705
  447    H    HIS  55           H        HIS  55   5.798  -0.052  -7.524
  448    HA   HIS  55           HA       HIS  55   7.358   2.239  -6.977
  449    HB2  HIS  55           HB2      HIS  55   7.729   1.157  -9.065
  450    HB3  HIS  55           HB3      HIS  55   6.018   1.200  -9.480
  451    HD1  HIS  55           HD1      HIS  55   5.169   3.217 -10.702
  452    HD2  HIS  55           HD2      HIS  55   9.078   3.689  -9.374
  453    HE1  HIS  55           HE1      HIS  55   5.962   5.374 -11.715
  454    HE2  HIS  55           HE2      HIS  55   8.276   5.722 -10.765
  455    HA   PRO  56           HA       PRO  56   4.227   5.179  -5.865
  456    HB2  PRO  56           HB2      PRO  56   5.594   7.394  -6.869
  457    HB3  PRO  56           HB3      PRO  56   5.752   6.732  -5.239
  458    HG2  PRO  56           HG2      PRO  56   7.483   6.306  -7.640
  459    HG3  PRO  56           HG3      PRO  56   7.947   6.480  -5.936
  460    HD2  PRO  56           HD2      PRO  56   7.922   4.084  -7.114
  461    HD3  PRO  56           HD3      PRO  56   7.374   4.274  -5.435
  462    H    GLN  57           H        GLN  57   2.511   6.096  -6.829
  463    HA   GLN  57           HA       GLN  57   1.056   6.824  -8.398
  464    HB2  GLN  57           HB2      GLN  57   3.538   7.227 -10.061
  465    HB3  GLN  57           HB3      GLN  57   1.926   7.697 -10.579
  466    HG2  GLN  57           HG2      GLN  57   1.743   9.232  -8.716
  467    HG3  GLN  57           HG3      GLN  57   3.328   8.734  -8.125
  468   HE21  GLN  57          HE21      GLN  57   5.171   9.379  -9.222
  469   HE22  GLN  57          HE22      GLN  57   5.147  10.670 -10.383
  470    H    ASN  58           H        ASN  58   2.391   3.970  -8.373
  471    HA   ASN  58           HA       ASN  58   1.748   2.925 -10.945
  472    HB2  ASN  58           HB2      ASN  58   2.836   1.905  -8.514
  473    HB3  ASN  58           HB3      ASN  58   1.472   0.890  -8.967
  474   HD21  ASN  58          HD21      ASN  58   1.599  -0.363 -10.792
  475   HD22  ASN  58          HD22      ASN  58   3.059  -0.581 -11.696
  476    HA   PRO  59           HA       PRO  59  -2.642   2.907 -10.942
  477    HB2  PRO  59           HB2      PRO  59  -2.971   0.394 -12.139
  478    HB3  PRO  59           HB3      PRO  59  -2.802   1.936 -12.983
  479    HG2  PRO  59           HG2      PRO  59  -0.740  -0.141 -12.399
  480    HG3  PRO  59           HG3      PRO  59  -0.935   0.877 -13.837
  481    HD2  PRO  59           HD2      PRO  59   0.949   1.417 -12.031
  482    HD3  PRO  59           HD3      PRO  59   0.034   2.729 -12.806
  483    H    SER  60           H        SER  60  -1.020  -0.076  -9.913
  484    HA   SER  60           HA       SER  60  -3.241  -1.257  -8.673
  485    HB2  SER  60           HB2      SER  60  -1.103  -2.421  -9.307
  486    HB3  SER  60           HB3      SER  60  -0.347  -1.669  -7.904
  487    HG   SER  60           HG       SER  60  -2.353  -2.711  -6.822
  488    H    LEU  61           H        LEU  61  -1.066   1.230  -7.583
  489    HA   LEU  61           HA       LEU  61  -1.746   0.939  -4.793
  490    HB2  LEU  61           HB2      LEU  61   0.415   1.928  -5.954
  491    HB3  LEU  61           HB3      LEU  61  -0.513   3.412  -5.952
  492    HG   LEU  61           HG       LEU  61   1.036   3.283  -4.048
  493   HD11  LEU  61          HD11      LEU  61  -1.849   3.132  -3.214
  494   HD12  LEU  61          HD12      LEU  61  -1.008   4.570  -3.791
  495   HD13  LEU  61          HD13      LEU  61  -0.528   3.818  -2.271
  496   HD21  LEU  61          HD21      LEU  61   1.095   0.891  -3.712
  497   HD22  LEU  61          HD22      LEU  61  -0.601   0.894  -3.224
  498   HD23  LEU  61          HD23      LEU  61   0.608   1.701  -2.220
  499    H    SER  62           H        SER  62  -2.490   3.207  -7.421
  500    HA   SER  62           HA       SER  62  -4.238   4.875  -5.978
  501    HB2  SER  62           HB2      SER  62  -3.252   5.597  -8.067
  502    HB3  SER  62           HB3      SER  62  -4.023   4.274  -8.934
  503    HG   SER  62           HG       SER  62  -5.436   5.791  -9.321
  504    H    GLN  63           H        GLN  63  -4.883   2.169  -8.178
  505    HA   GLN  63           HA       GLN  63  -7.665   2.131  -7.891
  506    HB2  GLN  63           HB2      GLN  63  -5.742  -0.112  -8.533
  507    HB3  GLN  63           HB3      GLN  63  -7.489  -0.229  -8.689
  508    HG2  GLN  63           HG2      GLN  63  -7.521   1.430 -10.405
  509    HG3  GLN  63           HG3      GLN  63  -5.819   1.805 -10.144
  510   HE21  GLN  63          HE21      GLN  63  -7.077  -1.457 -10.150
  511   HE22  GLN  63          HE22      GLN  63  -6.318  -1.950 -11.623
  512    H    TRP  64           H        TRP  64  -5.105   0.914  -5.851
  513    HA   TRP  64           HA       TRP  64  -6.739  -0.829  -4.343
  514    HB2  TRP  64           HB2      TRP  64  -4.311  -1.077  -4.261
  515    HB3  TRP  64           HB3      TRP  64  -4.159   0.516  -3.522
  516    HD1  TRP  64           HD1      TRP  64  -3.495   0.120  -1.073
  517    HE1  TRP  64           HE1      TRP  64  -4.373  -1.351   0.852
  518    HE3  TRP  64           HE3      TRP  64  -6.991  -2.595  -3.637
  519    HZ2  TRP  64           HZ2      TRP  64  -6.298  -3.369   1.230
  520    HZ3  TRP  64           HZ3      TRP  64  -8.314  -4.255  -2.418
  521    HH2  TRP  64           HH2      TRP  64  -7.975  -4.637  -0.035
  522    H    PHE  65           H        PHE  65  -5.944   2.605  -4.015
  523    HA   PHE  65           HA       PHE  65  -7.102   3.091  -1.535
  524    HB2  PHE  65           HB2      PHE  65  -7.065   4.825  -4.011
  525    HB3  PHE  65           HB3      PHE  65  -7.669   5.383  -2.456
  526    HD1  PHE  65           HD1      PHE  65  -5.797   4.507  -0.509
  527    HD2  PHE  65           HD2      PHE  65  -5.069   5.807  -4.490
  528    HE1  PHE  65           HE1      PHE  65  -3.523   5.192   0.135
  529    HE2  PHE  65           HE2      PHE  65  -2.792   6.486  -3.856
  530    HZ   PHE  65           HZ       PHE  65  -2.018   6.188  -1.541
  531    H    GLU  66           H        GLU  66  -8.611   2.901  -4.719
  532    HA   GLU  66           HA       GLU  66 -11.270   3.411  -3.871
  533    HB2  GLU  66           HB2      GLU  66 -10.428   1.723  -6.227
  534    HB3  GLU  66           HB3      GLU  66 -11.926   2.623  -6.038
  535    HG2  GLU  66           HG2      GLU  66 -10.816   4.697  -6.299
  536    HG3  GLU  66           HG3      GLU  66  -9.231   3.937  -6.168
  537    H    HIS  67           H        HIS  67  -9.459   0.433  -4.479
  538    HA   HIS  67           HA       HIS  67 -11.667  -1.291  -4.133
  539    HB2  HIS  67           HB2      HIS  67  -8.698  -1.772  -4.177
  540    HB3  HIS  67           HB3      HIS  67  -9.849  -3.079  -3.916
  541    HD1  HIS  67           HD1      HIS  67  -9.375  -4.288  -6.138
  542    HD2  HIS  67           HD2      HIS  67 -10.536  -0.309  -6.599
  543    HE1  HIS  67           HE1      HIS  67  -9.771  -3.963  -8.603
  544    HE2  HIS  67           HE2      HIS  67 -10.374  -1.528  -8.867
  545    H    GLN  68           H        GLN  68  -8.983  -0.465  -1.906
  546    HA   GLN  68           HA       GLN  68  -9.840  -2.146   0.193
  547    HB2  GLN  68           HB2      GLN  68  -8.373  -0.908   1.629
  548    HB3  GLN  68           HB3      GLN  68  -7.591  -1.063   0.064
  549    HG2  GLN  68           HG2      GLN  68  -8.301   1.225  -0.488
  550    HG3  GLN  68           HG3      GLN  68  -9.010   1.368   1.119
  551   HE21  GLN  68          HE21      GLN  68  -6.925   2.944  -0.078
  552   HE22  GLN  68          HE22      GLN  68  -5.536   2.785   0.933
  553    H    GLU  69           H        GLU  69 -10.858   0.974  -0.886
  554    HA   GLU  69           HA       GLU  69 -12.135   1.957   1.383
  555    HB2  GLU  69           HB2      GLU  69 -11.721   3.251  -0.673
  556    HB3  GLU  69           HB3      GLU  69 -12.928   2.291  -1.512
  557    HG2  GLU  69           HG2      GLU  69 -14.653   3.148  -0.018
  558    HG3  GLU  69           HG3      GLU  69 -13.440   4.111   0.826
  559    H    ARG  70           H        ARG  70 -13.244  -0.378  -1.047
  560    HA   ARG  70           HA       ARG  70 -15.657  -0.710   0.603
  561    HB2  ARG  70           HB2      ARG  70 -16.906  -1.382  -1.284
  562    HB3  ARG  70           HB3      ARG  70 -16.033   0.066  -1.747
  563    HG2  ARG  70           HG2      ARG  70 -14.386  -1.336  -2.924
  564    HG3  ARG  70           HG3      ARG  70 -15.336  -2.764  -2.507
  565    HD2  ARG  70           HD2      ARG  70 -17.290  -1.380  -3.591
  566    HD3  ARG  70           HD3      ARG  70 -15.963  -0.544  -4.394
  567    HE   ARG  70           HE       ARG  70 -15.653  -3.344  -4.652
  568   HH11  ARG  70          HH11      ARG  70 -17.549  -0.649  -5.866
  569   HH12  ARG  70          HH12      ARG  70 -17.975  -1.459  -7.350
  570   HH21  ARG  70          HH21      ARG  70 -16.208  -4.397  -6.617
  571   HH22  ARG  70          HH22      ARG  70 -17.206  -3.573  -7.778
  572    H    LYS  71           H        LYS  71 -12.854  -2.049   0.615
  573    HA   LYS  71           HA       LYS  71 -13.918  -4.800   0.802
  574    HB2  LYS  71           HB2      LYS  71 -11.092  -3.929   0.171
  575    HB3  LYS  71           HB3      LYS  71 -11.579  -5.591   0.463
  576    HG2  LYS  71           HG2      LYS  71 -13.012  -5.547  -1.479
  577    HG3  LYS  71           HG3      LYS  71 -12.601  -3.852  -1.756
  578    HD2  LYS  71           HD2      LYS  71 -10.186  -4.615  -1.872
  579    HD3  LYS  71           HD3      LYS  71 -10.819  -6.261  -1.964
  580    HE2  LYS  71           HE2      LYS  71 -11.628  -4.050  -3.835
  581    HE3  LYS  71           HE3      LYS  71 -10.307  -5.173  -4.166
  582    HZ1  LYS  71           HZ1      LYS  71 -12.645  -5.658  -5.086
  583    HZ2  LYS  71           HZ2      LYS  71 -12.993  -6.211  -3.522
  584    HZ3  LYS  71           HZ3      LYS  71 -11.745  -6.927  -4.420
  585    H    LEU  72           H        LEU  72 -11.554  -5.794   2.168
  586    HA   LEU  72           HA       LEU  72 -11.012  -6.294   4.295
  587    HB2  LEU  72           HB2      LEU  72 -11.066  -3.291   4.420
  588    HB3  LEU  72           HB3      LEU  72 -10.575  -4.272   5.784
  589    HG   LEU  72           HG       LEU  72  -8.742  -5.217   4.393
  590   HD11  LEU  72          HD11      LEU  72  -9.560  -3.098   2.403
  591   HD12  LEU  72          HD12      LEU  72  -9.738  -4.837   2.176
  592   HD13  LEU  72          HD13      LEU  72  -8.129  -4.126   2.308
  593   HD21  LEU  72          HD21      LEU  72  -7.354  -3.240   4.511
  594   HD22  LEU  72          HD22      LEU  72  -8.415  -3.337   5.919
  595   HD23  LEU  72          HD23      LEU  72  -8.788  -2.221   4.603
  596    H    HIS  73           H        HIS  73 -12.813  -3.473   5.298
  597    HA   HIS  73           HA       HIS  73 -15.196  -4.823   6.078
  598    HB2  HIS  73           HB2      HIS  73 -13.568  -5.678   7.796
  599    HB3  HIS  73           HB3      HIS  73 -13.285  -4.018   8.294
  600    HD1  HIS  73           HD1      HIS  73 -16.023  -6.638   8.290
  601    HD2  HIS  73           HD2      HIS  73 -15.065  -3.028  10.122
  602    HE1  HIS  73           HE1      HIS  73 -17.754  -6.305  10.086
  603    HE2  HIS  73           HE2      HIS  73 -17.232  -4.053  11.098
  604    H    GLY  74           H        GLY  74 -13.703  -2.274   4.978
  605    HA2  GLY  74           HA2      GLY  74 -14.226  -0.013   4.902
  606    HA3  GLY  74           HA3      GLY  74 -15.438  -0.279   6.151
  607    H    THR  75           H        THR  75 -12.748  -1.761   7.217
  608    HA   THR  75           HA       THR  75 -12.111   0.361   9.077
  609    HB   THR  75           HB       THR  75 -10.547  -1.407  10.026
  610    HG1  THR  75           HG1      THR  75 -10.435  -2.642   8.044
  611   HG21  THR  75          HG21      THR  75 -12.772  -0.992  10.956
  612   HG22  THR  75          HG22      THR  75 -12.370  -2.709  11.020
  613   HG23  THR  75          HG23      THR  75 -13.476  -2.106   9.784
  614    H    LEU  76           H        LEU  76 -10.748   1.876   8.386
  615    HA   LEU  76           HA       LEU  76  -8.214   1.163   7.200
  616    HB2  LEU  76           HB2      LEU  76 -10.287   2.825   5.767
  617    HB3  LEU  76           HB3      LEU  76  -8.582   2.915   5.392
  618    HG   LEU  76           HG       LEU  76 -10.228   0.402   5.171
  619   HD11  LEU  76          HD11      LEU  76 -10.164   0.782   2.772
  620   HD12  LEU  76          HD12      LEU  76  -9.310   2.306   3.022
  621   HD13  LEU  76          HD13      LEU  76 -10.970   2.120   3.590
  622   HD21  LEU  76          HD21      LEU  76  -8.302  -0.438   3.937
  623   HD22  LEU  76          HD22      LEU  76  -7.834   0.047   5.567
  624   HD23  LEU  76          HD23      LEU  76  -7.456   1.088   4.197
  625    HA   PRO  77           HA       PRO  77  -7.178   4.891   9.392
  626    HB2  PRO  77           HB2      PRO  77  -4.798   5.445   8.335
  627    HB3  PRO  77           HB3      PRO  77  -5.049   3.957   9.263
  628    HG2  PRO  77           HG2      PRO  77  -5.041   4.327   6.286
  629    HG3  PRO  77           HG3      PRO  77  -4.186   3.111   7.256
  630    HD2  PRO  77           HD2      PRO  77  -6.571   2.631   6.027
  631    HD3  PRO  77           HD3      PRO  77  -6.067   1.823   7.528
  632    H    LYS  78           H        LYS  78  -6.740   7.225   8.971
  633    HA   LYS  78           HA       LYS  78  -8.289   8.141   6.742
  634    HB2  LYS  78           HB2      LYS  78  -6.829   9.512   8.968
  635    HB3  LYS  78           HB3      LYS  78  -7.346  10.446   7.571
  636    HG2  LYS  78           HG2      LYS  78  -9.020  10.659   9.240
  637    HG3  LYS  78           HG3      LYS  78  -9.667   9.620   7.972
  638    HD2  LYS  78           HD2      LYS  78  -9.133   7.648   9.323
  639    HD3  LYS  78           HD3      LYS  78  -8.493   8.696  10.589
  640    HE2  LYS  78           HE2      LYS  78 -10.718   9.742  10.808
  641    HE3  LYS  78           HE3      LYS  78 -11.339   8.638   9.584
  642    HZ1  LYS  78           HZ1      LYS  78 -11.848   7.889  11.835
  643    HZ2  LYS  78           HZ2      LYS  78 -10.195   7.824  12.207
  644    HZ3  LYS  78           HZ3      LYS  78 -10.839   6.778  11.039
  645    H    LEU  79           H        LEU  79  -7.242   7.437   4.914
  646    HA   LEU  79           HA       LEU  79  -4.530   8.358   4.420
  647    HB2  LEU  79           HB2      LEU  79  -6.394   6.729   2.694
  648    HB3  LEU  79           HB3      LEU  79  -4.734   7.122   2.293
  649    HG   LEU  79           HG       LEU  79  -5.667   5.365   4.563
  650   HD11  LEU  79          HD11      LEU  79  -5.777   4.327   2.368
  651   HD12  LEU  79          HD12      LEU  79  -4.482   3.621   3.335
  652   HD13  LEU  79          HD13      LEU  79  -4.101   4.778   2.062
  653   HD21  LEU  79          HD21      LEU  79  -2.879   6.227   3.799
  654   HD22  LEU  79          HD22      LEU  79  -3.272   4.962   4.965
  655   HD23  LEU  79          HD23      LEU  79  -3.738   6.633   5.286
  656    H    ASN  80           H        ASN  80  -4.705  10.535   4.234
  657    HA   ASN  80           HA       ASN  80  -6.663  11.733   2.474
  658    HB2  ASN  80           HB2      ASN  80  -4.393  12.899   4.091
  659    HB3  ASN  80           HB3      ASN  80  -5.498  13.862   3.113
  660   HD21  ASN  80          HD21      ASN  80  -5.170  11.867   5.965
  661   HD22  ASN  80          HD22      ASN  80  -6.642  12.380   6.716
  662    H    PHE  81           H        PHE  81  -5.119   9.955   1.111
  663    HA   PHE  81           HA       PHE  81  -2.937  11.299  -0.216
  664    HB2  PHE  81           HB2      PHE  81  -4.216   8.583  -0.557
  665    HB3  PHE  81           HB3      PHE  81  -2.932   9.162  -1.611
  666    HD1  PHE  81           HD1      PHE  81  -3.587   8.970   2.071
  667    HD2  PHE  81           HD2      PHE  81  -0.838   8.394  -1.122
  668    HE1  PHE  81           HE1      PHE  81  -1.903   8.169   3.672
  669    HE2  PHE  81           HE2      PHE  81   0.853   7.593   0.472
  670    HZ   PHE  81           HZ       PHE  81   0.322   7.479   2.873
  671    H    GLY  82           H        GLY  82  -5.007  12.888  -0.578
  672    HA2  GLY  82           HA2      GLY  82  -6.641  12.371  -2.833
  673    HA3  GLY  82           HA3      GLY  82  -6.310  13.954  -2.142
  674    H    MET  83           H        MET  83  -3.356  13.313  -2.523
  675    HA   MET  83           HA       MET  83  -3.133  14.457  -5.157
  676    HB2  MET  83           HB2      MET  83  -0.816  14.704  -4.705
  677    HB3  MET  83           HB3      MET  83  -1.649  15.046  -3.197
  678    HG2  MET  83           HG2      MET  83  -0.327  12.432  -3.886
  679    HG3  MET  83           HG3      MET  83   0.388  13.704  -2.899
  680    HE1  MET  83           HE1      MET  83  -0.455  10.802  -0.358
  681    HE2  MET  83           HE2      MET  83   0.822  11.853  -0.971
  682    HE3  MET  83           HE3      MET  83   0.088  10.649  -2.028
  683    H    LEU  84           H        LEU  84  -3.514  11.371  -4.029
  684    HA   LEU  84           HA       LEU  84  -2.052  10.200  -6.300
  685    HB2  LEU  84           HB2      LEU  84  -1.874   9.544  -3.651
  686    HB3  LEU  84           HB3      LEU  84  -3.067   8.390  -4.214
  687    HG   LEU  84           HG       LEU  84  -0.795   7.461  -4.242
  688   HD11  LEU  84          HD11      LEU  84  -2.429   6.624  -5.843
  689   HD12  LEU  84          HD12      LEU  84  -0.797   6.596  -6.516
  690   HD13  LEU  84          HD13      LEU  84  -1.931   7.859  -7.000
  691   HD21  LEU  84          HD21      LEU  84   0.852   8.290  -5.853
  692   HD22  LEU  84          HD22      LEU  84   0.458   9.498  -4.631
  693   HD23  LEU  84          HD23      LEU  84  -0.224   9.629  -6.252
  694    H    ARG  85           H        ARG  85  -5.130  10.649  -4.792
  695    HA   ARG  85           HA       ARG  85  -6.599   8.647  -6.117
  696    HB2  ARG  85           HB2      ARG  85  -7.380  11.300  -4.922
  697    HB3  ARG  85           HB3      ARG  85  -8.559  10.251  -5.696
  698    HG2  ARG  85           HG2      ARG  85  -6.822   9.324  -3.427
  699    HG3  ARG  85           HG3      ARG  85  -8.384  10.108  -3.181
  700    HD2  ARG  85           HD2      ARG  85  -9.332   8.333  -4.747
  701    HD3  ARG  85           HD3      ARG  85  -7.796   7.490  -4.540
  702    HE   ARG  85           HE       ARG  85  -8.420   7.742  -2.024
  703   HH11  ARG  85          HH11      ARG  85 -10.624   7.068  -4.671
  704   HH12  ARG  85          HH12      ARG  85 -11.771   6.227  -3.680
  705   HH21  ARG  85          HH21      ARG  85  -9.925   6.632  -0.718
  706   HH22  ARG  85          HH22      ARG  85 -11.381   5.988  -1.418
  707    H    LYS  86           H        LYS  86  -7.236   8.448  -8.147
  708    HA   LYS  86           HA       LYS  86  -7.659   8.870 -10.336
  709    HB2  LYS  86           HB2      LYS  86  -9.229  10.543  -9.258
  710    HB3  LYS  86           HB3      LYS  86  -8.016  11.764  -9.618
  711    HG2  LYS  86           HG2      LYS  86  -8.212  11.282 -11.994
  712    HG3  LYS  86           HG3      LYS  86  -9.395  10.018 -11.650
  713    HD2  LYS  86           HD2      LYS  86 -10.407  12.176 -12.366
  714    HD3  LYS  86           HD3      LYS  86 -10.944  11.628 -10.774
  715    HE2  LYS  86           HE2      LYS  86  -9.258  13.092  -9.743
  716    HE3  LYS  86           HE3      LYS  86  -8.826  13.688 -11.344
  717    HZ1  LYS  86           HZ1      LYS  86 -11.107  14.481 -11.612
  718    HZ2  LYS  86           HZ2      LYS  86 -10.355  15.201 -10.276
  719    HZ3  LYS  86           HZ3      LYS  86 -11.484  13.957 -10.042
  720    H    MET  87           H        MET  87  -4.997   9.633  -8.881
  721    HA   MET  87           HA       MET  87  -3.730  11.269 -10.909
  722    HB2  MET  87           HB2      MET  87  -3.165  11.539  -8.523
  723    HB3  MET  87           HB3      MET  87  -2.589   9.880  -8.477
  724    HG2  MET  87           HG2      MET  87  -0.722  11.383  -8.624
  725    HG3  MET  87           HG3      MET  87  -0.856  10.474 -10.129
  726    HE1  MET  87           HE1      MET  87  -1.627  13.934  -8.376
  727    HE2  MET  87           HE2      MET  87  -3.180  13.437  -9.047
  728    HE3  MET  87           HE3      MET  87  -2.335  14.832  -9.718
  729    H    GLY  88           H        GLY  88  -3.790   7.985  -9.748
  730    HA2  GLY  88           HA2      GLY  88  -2.287   7.118 -12.128
  731    HA3  GLY  88           HA3      GLY  88  -2.440   6.183 -10.644
  Start of MODEL    9
    1    H1   PHE   1           HT1      PHE   1  16.365 -13.519   3.887
    2    H2   PHE   1           HT2      PHE   1  17.465 -13.565   2.600
    3    H3   PHE   1           HT3      PHE   1  16.000 -14.413   2.495
    4    HA   PHE   1           HA       PHE   1  16.289 -11.466   2.655
    5    HB2  PHE   1           HB2      PHE   1  16.988 -12.442   0.472
    6    HB3  PHE   1           HB3      PHE   1  15.416 -13.225   0.343
    7    HD1  PHE   1           HD1      PHE   1  17.113  -9.941   0.435
    8    HD2  PHE   1           HD2      PHE   1  13.538 -12.067  -0.475
    9    HE1  PHE   1           HE1      PHE   1  16.211  -7.941  -0.677
   10    HE2  PHE   1           HE2      PHE   1  12.631 -10.069  -1.585
   11    HZ   PHE   1           HZ       PHE   1  13.967  -8.004  -1.688
   12    H    LEU   2           H        LEU   2  14.718 -10.832   3.919
   13    HA   LEU   2           HA       LEU   2  12.011 -11.309   3.022
   14    HB2  LEU   2           HB2      LEU   2  12.355 -13.074   4.713
   15    HB3  LEU   2           HB3      LEU   2  12.838 -11.857   5.877
   16    HG   LEU   2           HG       LEU   2  10.554 -10.850   5.671
   17   HD11  LEU   2          HD11      LEU   2   9.990 -13.377   4.127
   18   HD12  LEU   2          HD12      LEU   2   9.929 -11.729   3.501
   19   HD13  LEU   2          HD13      LEU   2   8.774 -12.250   4.727
   20   HD21  LEU   2          HD21      LEU   2   9.465 -12.553   7.051
   21   HD22  LEU   2          HD22      LEU   2  11.139 -12.283   7.537
   22   HD23  LEU   2          HD23      LEU   2  10.715 -13.712   6.595
   23    H    LEU   3           H        LEU   3  10.861  -9.477   3.178
   24    HA   LEU   3           HA       LEU   3  12.065  -7.156   4.409
   25    HB2  LEU   3           HB2      LEU   3   9.575  -7.625   2.804
   26    HB3  LEU   3           HB3      LEU   3   9.751  -6.143   3.718
   27    HG   LEU   3           HG       LEU   3  10.389  -5.754   1.431
   28   HD11  LEU   3          HD11      LEU   3  12.654  -4.893   1.761
   29   HD12  LEU   3          HD12      LEU   3  12.794  -5.842   3.242
   30   HD13  LEU   3          HD13      LEU   3  11.608  -4.541   3.137
   31   HD21  LEU   3          HD21      LEU   3  12.258  -6.908   0.378
   32   HD22  LEU   3          HD22      LEU   3  10.979  -8.043   0.814
   33   HD23  LEU   3          HD23      LEU   3  12.437  -7.936   1.801
   34    HA   PRO   4           HA       PRO   4  10.216  -8.395   8.307
   35    HB2  PRO   4           HB2      PRO   4  11.550  -5.940   9.250
   36    HB3  PRO   4           HB3      PRO   4  11.741  -7.606   9.806
   37    HG2  PRO   4           HG2      PRO   4  13.650  -6.373   8.385
   38    HG3  PRO   4           HG3      PRO   4  13.316  -8.104   8.192
   39    HD2  PRO   4           HD2      PRO   4  12.511  -5.812   6.443
   40    HD3  PRO   4           HD3      PRO   4  13.076  -7.440   5.988
   41    HA   PRO   5           HA       PRO   5   6.565  -5.932   8.489
   42    HB2  PRO   5           HB2      PRO   5   6.754  -6.318  11.432
   43    HB3  PRO   5           HB3      PRO   5   5.423  -6.691  10.330
   44    HG2  PRO   5           HG2      PRO   5   6.946  -8.632  11.331
   45    HG3  PRO   5           HG3      PRO   5   6.367  -8.696   9.655
   46    HD2  PRO   5           HD2      PRO   5   9.078  -7.989  10.701
   47    HD3  PRO   5           HD3      PRO   5   8.632  -8.904   9.246
   48    H    SER   6           H        SER   6   6.520  -3.803   8.309
   49    HA   SER   6           HA       SER   6   6.701  -1.588   8.726
   50    HB2  SER   6           HB2      SER   6   7.467  -2.441  11.529
   51    HB3  SER   6           HB3      SER   6   7.017  -0.808  11.037
   52    HG   SER   6           HG       SER   6   5.437  -3.037  11.489
   53    H    THR   7           H        THR   7   9.077  -3.474   8.148
   54    HA   THR   7           HA       THR   7  11.150  -1.417   8.525
   55    HB   THR   7           HB       THR   7  11.638  -4.341   7.932
   56    HG1  THR   7           HG1      THR   7  10.648  -3.411  10.141
   57   HG21  THR   7          HG21      THR   7  13.480  -2.806   7.385
   58   HG22  THR   7          HG22      THR   7  13.898  -3.856   8.740
   59   HG23  THR   7          HG23      THR   7  13.438  -2.178   9.033
   60    H    ALA   8           H        ALA   8   9.670  -0.644   6.636
   61    HA   ALA   8           HA       ALA   8  10.244  -2.033   4.134
   62    HB1  ALA   8           HB1      ALA   8   8.265   0.166   4.711
   63    HB2  ALA   8           HB2      ALA   8   7.908  -1.559   4.627
   64    HB3  ALA   8           HB3      ALA   8   8.440  -0.698   3.184
   65    H    CYS   9           H        CYS   9  12.446  -1.296   4.025
   66    HA   CYS   9           HA       CYS   9  12.422   1.239   2.537
   67    HB2  CYS   9           HB2      CYS   9  13.994   1.410   4.430
   68    HB3  CYS   9           HB3      CYS   9  14.826  -0.041   3.874
   69    H    CYS  10           H        CYS  10  11.571   0.077   0.816
   70    HA   CYS  10           HA       CYS  10  12.795  -2.356  -0.068
   71    HB2  CYS  10           HB2      CYS  10  10.644  -0.648  -1.332
   72    HB3  CYS  10           HB3      CYS  10  11.087  -2.276  -1.839
   73    H    THR  11           H        THR  11  14.630  -2.376  -1.143
   74    HA   THR  11           HA       THR  11  15.223  -0.325  -3.111
   75    HB   THR  11           HB       THR  11  17.225  -2.071  -3.435
   76    HG1  THR  11           HG1      THR  11  17.244  -2.507  -0.789
   77   HG21  THR  11          HG21      THR  11  17.451   0.273  -2.719
   78   HG22  THR  11          HG22      THR  11  18.501  -0.796  -1.789
   79   HG23  THR  11          HG23      THR  11  17.006  -0.192  -1.076
   80    H    GLN  12           H        GLN  12  13.617  -3.234  -2.879
   81    HA   GLN  12           HA       GLN  12  13.710  -3.616  -5.779
   82    HB2  GLN  12           HB2      GLN  12  12.578  -5.893  -5.063
   83    HB3  GLN  12           HB3      GLN  12  14.321  -5.697  -5.054
   84    HG2  GLN  12           HG2      GLN  12  13.814  -6.808  -3.063
   85    HG3  GLN  12           HG3      GLN  12  14.107  -5.139  -2.589
   86   HE21  GLN  12          HE21      GLN  12  12.455  -3.978  -1.647
   87   HE22  GLN  12          HE22      GLN  12  10.922  -4.651  -1.248
   88    H    LEU  13           H        LEU  13  11.722  -3.957  -6.888
   89    HA   LEU  13           HA       LEU  13   9.321  -3.088  -5.438
   90    HB2  LEU  13           HB2      LEU  13  10.352  -1.872  -8.002
   91    HB3  LEU  13           HB3      LEU  13   8.759  -1.574  -7.337
   92    HG   LEU  13           HG       LEU  13  11.360  -0.848  -5.980
   93   HD11  LEU  13          HD11      LEU  13  10.768   1.457  -6.527
   94   HD12  LEU  13          HD12      LEU  13   9.356   0.889  -7.417
   95   HD13  LEU  13          HD13      LEU  13  10.977   0.491  -7.987
   96   HD21  LEU  13          HD21      LEU  13   9.517  -1.322  -4.429
   97   HD22  LEU  13          HD22      LEU  13   8.507  -0.156  -5.286
   98   HD23  LEU  13          HD23      LEU  13   9.951   0.388  -4.432
   99    H    TYR  14           H        TYR  14   7.499  -4.087  -6.054
  100    HA   TYR  14           HA       TYR  14   7.696  -6.356  -7.771
  101    HB2  TYR  14           HB2      TYR  14   6.245  -6.173  -5.715
  102    HB3  TYR  14           HB3      TYR  14   5.182  -5.116  -6.637
  103    HD1  TYR  14           HD1      TYR  14   6.813  -8.461  -7.031
  104    HD2  TYR  14           HD2      TYR  14   3.316  -6.101  -7.558
  105    HE1  TYR  14           HE1      TYR  14   5.612 -10.440  -7.861
  106    HE2  TYR  14           HE2      TYR  14   2.107  -8.072  -8.398
  107    HH   TYR  14           HH       TYR  14   2.404 -10.200  -9.254
  108    H    ARG  15           H        ARG  15   5.951  -3.266  -7.988
  109    HA   ARG  15           HA       ARG  15   5.475  -1.929  -9.759
  110    HB2  ARG  15           HB2      ARG  15   7.292  -3.875 -11.130
  111    HB3  ARG  15           HB3      ARG  15   6.445  -2.638 -12.045
  112    HG2  ARG  15           HG2      ARG  15   7.547  -0.895 -10.896
  113    HG3  ARG  15           HG3      ARG  15   8.179  -2.005  -9.677
  114    HD2  ARG  15           HD2      ARG  15   9.810  -1.244 -11.452
  115    HD3  ARG  15           HD3      ARG  15   9.681  -2.983 -11.201
  116    HE   ARG  15           HE       ARG  15   7.910  -2.337 -13.232
  117   HH11  ARG  15          HH11      ARG  15  11.358  -2.108 -12.682
  118   HH12  ARG  15          HH12      ARG  15  11.772  -2.390 -14.349
  119   HH21  ARG  15          HH21      ARG  15   8.430  -2.736 -15.398
  120   HH22  ARG  15          HH22      ARG  15  10.092  -2.775 -15.901
  121    H    LYS  16           H        LYS  16   4.742  -5.312  -9.994
  122    HA   LYS  16           HA       LYS  16   2.818  -4.927 -12.121
  123    HB2  LYS  16           HB2      LYS  16   3.393  -7.346 -10.404
  124    HB3  LYS  16           HB3      LYS  16   2.326  -7.323 -11.800
  125    HG2  LYS  16           HG2      LYS  16   4.302  -6.645 -13.179
  126    HG3  LYS  16           HG3      LYS  16   5.307  -6.961 -11.761
  127    HD2  LYS  16           HD2      LYS  16   4.422  -9.268 -11.698
  128    HD3  LYS  16           HD3      LYS  16   3.515  -8.929 -13.172
  129    HE2  LYS  16           HE2      LYS  16   5.485 -10.065 -13.832
  130    HE3  LYS  16           HE3      LYS  16   5.708  -8.371 -14.265
  131    HZ1  LYS  16           HZ1      LYS  16   7.065  -8.064 -12.308
  132    HZ2  LYS  16           HZ2      LYS  16   7.684  -9.339 -13.232
  133    HZ3  LYS  16           HZ3      LYS  16   6.797  -9.668 -11.825
  134    HA   PRO  17           HA       PRO  17  -0.800  -4.274  -9.567
  135    HB2  PRO  17           HB2      PRO  17  -2.170  -6.224 -11.329
  136    HB3  PRO  17           HB3      PRO  17  -2.582  -4.540 -10.984
  137    HG2  PRO  17           HG2      PRO  17  -1.552  -5.247 -13.343
  138    HG3  PRO  17           HG3      PRO  17  -1.103  -3.717 -12.566
  139    HD2  PRO  17           HD2      PRO  17   0.422  -6.291 -12.708
  140    HD3  PRO  17           HD3      PRO  17   1.008  -4.620 -12.866
  141    H    LEU  18           H        LEU  18  -1.789  -5.300  -7.850
  142    HA   LEU  18           HA       LEU  18  -0.687  -7.925  -7.237
  143    HB2  LEU  18           HB2      LEU  18  -2.103  -5.871  -5.547
  144    HB3  LEU  18           HB3      LEU  18  -1.639  -7.453  -4.949
  145    HG   LEU  18           HG       LEU  18   0.243  -5.315  -5.953
  146   HD11  LEU  18          HD11      LEU  18   1.007  -5.243  -3.623
  147   HD12  LEU  18          HD12      LEU  18  -0.253  -6.394  -3.180
  148   HD13  LEU  18          HD13      LEU  18  -0.691  -4.790  -3.770
  149   HD21  LEU  18          HD21      LEU  18   0.835  -8.033  -4.794
  150   HD22  LEU  18          HD22      LEU  18   2.023  -6.812  -5.248
  151   HD23  LEU  18          HD23      LEU  18   1.025  -7.575  -6.485
  152    H    SER  19           H        SER  19  -1.835  -9.729  -6.960
  153    HA   SER  19           HA       SER  19  -4.297 -10.112  -8.171
  154    HB2  SER  19           HB2      SER  19  -3.053 -11.750  -5.951
  155    HB3  SER  19           HB3      SER  19  -4.278 -12.303  -7.095
  156    HG   SER  19           HG       SER  19  -2.681 -11.743  -8.768
  157    H    ASP  20           H        ASP  20  -6.357  -9.859  -7.545
  158    HA   ASP  20           HA       ASP  20  -6.883  -8.106  -5.421
  159    HB2  ASP  20           HB2      ASP  20  -9.228  -8.326  -5.983
  160    HB3  ASP  20           HB3      ASP  20  -8.269  -8.223  -7.453
  161    H    LYS  21           H        LYS  21  -6.936 -11.597  -5.547
  162    HA   LYS  21           HA       LYS  21  -8.511 -11.988  -3.218
  163    HB2  LYS  21           HB2      LYS  21  -6.442 -13.808  -4.464
  164    HB3  LYS  21           HB3      LYS  21  -7.600 -14.283  -3.228
  165    HG2  LYS  21           HG2      LYS  21  -8.294 -13.298  -5.989
  166    HG3  LYS  21           HG3      LYS  21  -8.300 -14.981  -5.464
  167    HD2  LYS  21           HD2      LYS  21 -10.053 -14.490  -3.850
  168    HD3  LYS  21           HD3      LYS  21 -10.007 -12.784  -4.290
  169    HE2  LYS  21           HE2      LYS  21 -10.799 -15.077  -6.080
  170    HE3  LYS  21           HE3      LYS  21 -11.883 -13.887  -5.366
  171    HZ1  LYS  21           HZ1      LYS  21 -11.504 -13.211  -7.575
  172    HZ2  LYS  21           HZ2      LYS  21  -9.831 -13.446  -7.458
  173    HZ3  LYS  21           HZ3      LYS  21 -10.566 -12.167  -6.618
  174    H    LEU  22           H        LEU  22  -4.979 -11.833  -3.709
  175    HA   LEU  22           HA       LEU  22  -4.477 -11.996  -0.888
  176    HB2  LEU  22           HB2      LEU  22  -2.160 -11.521  -1.414
  177    HB3  LEU  22           HB3      LEU  22  -2.787 -12.759  -2.477
  178    HG   LEU  22           HG       LEU  22  -3.130 -10.750  -4.136
  179   HD11  LEU  22          HD11      LEU  22  -0.901  -9.717  -2.386
  180   HD12  LEU  22          HD12      LEU  22  -2.510  -9.008  -2.517
  181   HD13  LEU  22          HD13      LEU  22  -1.437  -9.025  -3.917
  182   HD21  LEU  22          HD21      LEU  22  -0.435 -11.947  -3.510
  183   HD22  LEU  22          HD22      LEU  22  -0.885 -11.166  -5.027
  184   HD23  LEU  22          HD23      LEU  22  -1.684 -12.660  -4.532
  185    H    LEU  23           H        LEU  23  -5.192  -9.525  -3.155
  186    HA   LEU  23           HA       LEU  23  -4.015  -7.317  -1.865
  187    HB2  LEU  23           HB2      LEU  23  -4.781  -7.532  -4.276
  188    HB3  LEU  23           HB3      LEU  23  -6.411  -7.270  -3.693
  189    HG   LEU  23           HG       LEU  23  -5.847  -5.035  -2.967
  190   HD11  LEU  23          HD11      LEU  23  -3.560  -5.460  -2.246
  191   HD12  LEU  23          HD12      LEU  23  -3.640  -4.079  -3.337
  192   HD13  LEU  23          HD13      LEU  23  -3.056  -5.637  -3.923
  193   HD21  LEU  23          HD21      LEU  23  -5.335  -4.010  -5.131
  194   HD22  LEU  23          HD22      LEU  23  -6.495  -5.327  -5.308
  195   HD23  LEU  23          HD23      LEU  23  -4.805  -5.574  -5.750
  196    H    ARG  24           H        ARG  24  -7.126  -8.901  -1.466
  197    HA   ARG  24           HA       ARG  24  -8.381  -6.797  -0.031
  198    HB2  ARG  24           HB2      ARG  24  -9.995  -8.516   0.711
  199    HB3  ARG  24           HB3      ARG  24  -9.728  -8.543  -1.027
  200    HG2  ARG  24           HG2      ARG  24  -8.346 -10.482  -0.852
  201    HG3  ARG  24           HG3      ARG  24  -8.365 -10.394   0.910
  202    HD2  ARG  24           HD2      ARG  24 -10.835 -10.785  -0.768
  203    HD3  ARG  24           HD3      ARG  24  -9.890 -12.116  -0.100
  204    HE   ARG  24           HE       ARG  24 -11.053 -10.057   1.659
  205   HH11  ARG  24          HH11      ARG  24 -10.735 -13.406   0.666
  206   HH12  ARG  24          HH12      ARG  24 -11.539 -14.022   2.085
  207   HH21  ARG  24          HH21      ARG  24 -12.126 -10.871   3.498
  208   HH22  ARG  24          HH22      ARG  24 -12.326 -12.592   3.685
  209    H    LYS  25           H        LYS  25  -5.809  -8.746   0.830
  210    HA   LYS  25           HA       LYS  25  -6.430  -8.559   3.691
  211    HB2  LYS  25           HB2      LYS  25  -4.360 -10.205   2.268
  212    HB3  LYS  25           HB3      LYS  25  -4.567 -10.148   4.007
  213    HG2  LYS  25           HG2      LYS  25  -6.723 -11.132   3.881
  214    HG3  LYS  25           HG3      LYS  25  -6.750 -10.981   2.123
  215    HD2  LYS  25           HD2      LYS  25  -4.783 -12.664   3.661
  216    HD3  LYS  25           HD3      LYS  25  -6.271 -13.282   2.937
  217    HE2  LYS  25           HE2      LYS  25  -5.458 -12.393   0.746
  218    HE3  LYS  25           HE3      LYS  25  -3.918 -12.047   1.533
  219    HZ1  LYS  25           HZ1      LYS  25  -3.696 -14.142   0.496
  220    HZ2  LYS  25           HZ2      LYS  25  -5.185 -14.690   1.097
  221    HZ3  LYS  25           HZ3      LYS  25  -3.877 -14.467   2.153
  222    H    VAL  26           H        VAL  26  -5.086  -6.679   1.483
  223    HA   VAL  26           HA       VAL  26  -2.761  -5.832   2.963
  224    HB   VAL  26           HB       VAL  26  -4.266  -4.333   0.809
  225   HG11  VAL  26          HG11      VAL  26  -1.481  -3.961   1.899
  226   HG12  VAL  26          HG12      VAL  26  -2.865  -2.922   2.237
  227   HG13  VAL  26          HG13      VAL  26  -2.222  -3.026   0.599
  228   HG21  VAL  26          HG21      VAL  26  -1.909  -6.203   0.640
  229   HG22  VAL  26          HG22      VAL  26  -2.371  -5.095  -0.647
  230   HG23  VAL  26          HG23      VAL  26  -3.479  -6.376  -0.148
  231    H    ILE  27           H        ILE  27  -3.213  -5.181   4.954
  232    HA   ILE  27           HA       ILE  27  -5.782  -4.019   5.551
  233    HB   ILE  27           HB       ILE  27  -5.057  -4.211   7.906
  234   HG12  ILE  27          HG12      ILE  27  -2.518  -5.312   6.669
  235   HG13  ILE  27          HG13      ILE  27  -2.659  -3.846   7.632
  236   HG21  ILE  27          HG21      ILE  27  -4.995  -6.675   7.945
  237   HG22  ILE  27          HG22      ILE  27  -4.688  -6.682   6.204
  238   HG23  ILE  27          HG23      ILE  27  -6.213  -6.049   6.833
  239   HD11  ILE  27          HD11      ILE  27  -3.065  -6.668   8.594
  240   HD12  ILE  27          HD12      ILE  27  -3.311  -5.220   9.570
  241   HD13  ILE  27          HD13      ILE  27  -1.704  -5.608   8.956
  242    H    GLN  28           H        GLN  28  -2.624  -2.877   4.934
  243    HA   GLN  28           HA       GLN  28  -3.451  -0.160   5.464
  244    HB2  GLN  28           HB2      GLN  28  -1.438  -1.581   7.137
  245    HB3  GLN  28           HB3      GLN  28  -1.108   0.092   6.709
  246    HG2  GLN  28           HG2      GLN  28  -3.643  -0.845   8.027
  247    HG3  GLN  28           HG3      GLN  28  -2.247  -0.206   8.894
  248   HE21  GLN  28          HE21      GLN  28  -4.986   0.814   8.715
  249   HE22  GLN  28          HE22      GLN  28  -4.844   2.429   8.106
  250    H    VAL  29           H        VAL  29  -2.023   1.418   4.557
  251    HA   VAL  29           HA       VAL  29  -0.036   0.315   2.683
  252    HB   VAL  29           HB       VAL  29  -1.847   1.210   1.369
  253   HG11  VAL  29          HG11      VAL  29  -2.591   3.533   1.532
  254   HG12  VAL  29          HG12      VAL  29  -1.527   3.776   2.918
  255   HG13  VAL  29          HG13      VAL  29  -2.880   2.651   3.033
  256   HG21  VAL  29          HG21      VAL  29  -0.704   2.929   0.068
  257   HG22  VAL  29          HG22      VAL  29   0.413   1.646   0.537
  258   HG23  VAL  29          HG23      VAL  29   0.432   3.189   1.392
  259    H    GLU  30           H        GLU  30   1.998   1.013   2.954
  260    HA   GLU  30           HA       GLU  30   2.380   3.202   4.880
  261    HB2  GLU  30           HB2      GLU  30   4.542   2.063   5.446
  262    HB3  GLU  30           HB3      GLU  30   3.095   1.171   5.890
  263    HG2  GLU  30           HG2      GLU  30   3.449  -0.026   3.609
  264    HG3  GLU  30           HG3      GLU  30   5.094   0.594   3.753
  265    H    LEU  31           H        LEU  31   3.497   4.919   4.267
  266    HA   LEU  31           HA       LEU  31   4.506   4.947   1.543
  267    HB2  LEU  31           HB2      LEU  31   3.019   6.749   2.097
  268    HB3  LEU  31           HB3      LEU  31   3.972   7.165   3.510
  269    HG   LEU  31           HG       LEU  31   5.809   7.916   2.088
  270   HD11  LEU  31          HD11      LEU  31   5.507   6.375   0.232
  271   HD12  LEU  31          HD12      LEU  31   5.548   8.044  -0.335
  272   HD13  LEU  31          HD13      LEU  31   4.010   7.190  -0.216
  273   HD21  LEU  31          HD21      LEU  31   4.699   9.852   1.045
  274   HD22  LEU  31          HD22      LEU  31   4.136   9.553   2.690
  275   HD23  LEU  31          HD23      LEU  31   3.137   9.078   1.315
  276    H    GLN  32           H        GLN  32   6.489   4.186   1.390
  277    HA   GLN  32           HA       GLN  32   8.592   4.893   3.227
  278    HB2  GLN  32           HB2      GLN  32   8.607   2.748   2.042
  279    HB3  GLN  32           HB3      GLN  32   8.655   3.589   0.499
  280    HG2  GLN  32           HG2      GLN  32  10.837   4.553   1.155
  281    HG3  GLN  32           HG3      GLN  32  10.786   3.561   2.613
  282   HE21  GLN  32          HE21      GLN  32  12.622   3.581   0.318
  283   HE22  GLN  32          HE22      GLN  32  12.617   1.967  -0.293
  284    H    GLU  33           H        GLU  33   9.240   6.967   3.250
  285    HA   GLU  33           HA       GLU  33   8.849   8.675   0.983
  286    HB2  GLU  33           HB2      GLU  33  10.155   9.142   3.661
  287    HB3  GLU  33           HB3      GLU  33   9.951  10.392   2.442
  288    HG2  GLU  33           HG2      GLU  33   7.560  10.203   2.571
  289    HG3  GLU  33           HG3      GLU  33   7.694   8.825   3.663
  290    H    ALA  34           H        ALA  34  10.554  10.034   0.074
  291    HA   ALA  34           HA       ALA  34  12.641   8.334  -0.920
  292    HB1  ALA  34           HB1      ALA  34  11.444   9.910  -2.371
  293    HB2  ALA  34           HB2      ALA  34  13.185  10.187  -2.390
  294    HB3  ALA  34           HB3      ALA  34  12.133  11.257  -1.463
  295    H    ASP  35           H        ASP  35  12.442  10.202   1.800
  296    HA   ASP  35           HA       ASP  35  15.207  10.002   2.395
  297    HB2  ASP  35           HB2      ASP  35  15.134  11.985   0.804
  298    HB3  ASP  35           HB3      ASP  35  14.200  12.832   2.033
  299    H    GLY  36           H        GLY  36  12.514   9.423   3.418
  300    HA2  GLY  36           HA2      GLY  36  12.324  11.117   5.801
  301    HA3  GLY  36           HA3      GLY  36  11.141   9.924   5.283
  302    H    ASP  37           H        ASP  37  11.281   7.853   6.015
  303    HA   ASP  37           HA       ASP  37  13.106   7.305   8.174
  304    HB2  ASP  37           HB2      ASP  37  11.048   5.582   6.777
  305    HB3  ASP  37           HB3      ASP  37  12.016   5.030   8.139
  306    H    CYS  38           H        CYS  38  13.152   6.980   4.817
  307    HA   CYS  38           HA       CYS  38  15.804   5.861   4.899
  308    HB2  CYS  38           HB2      CYS  38  13.894   3.977   4.704
  309    HB3  CYS  38           HB3      CYS  38  13.991   4.445   3.006
  310    H    HIS  39           H        HIS  39  16.643   5.808   2.499
  311    HA   HIS  39           HA       HIS  39  15.571   8.240   1.249
  312    HB2  HIS  39           HB2      HIS  39  17.942   8.309   1.994
  313    HB3  HIS  39           HB3      HIS  39  18.308   7.003   0.870
  314    HD1  HIS  39           HD1      HIS  39  17.770  10.674   1.056
  315    HD2  HIS  39           HD2      HIS  39  18.211   7.759  -1.886
  316    HE1  HIS  39           HE1      HIS  39  18.243  11.920  -1.074
  317    HE2  HIS  39           HE2      HIS  39  18.248  10.148  -2.866
  318    H    LEU  40           H        LEU  40  13.881   6.895   0.318
  319    HA   LEU  40           HA       LEU  40  14.213   6.588  -2.417
  320    HB2  LEU  40           HB2      LEU  40  15.532   4.538  -1.524
  321    HB3  LEU  40           HB3      LEU  40  13.959   3.872  -1.136
  322    HG   LEU  40           HG       LEU  40  14.547   4.787  -3.933
  323   HD11  LEU  40          HD11      LEU  40  16.401   3.336  -3.334
  324   HD12  LEU  40          HD12      LEU  40  15.311   2.512  -4.450
  325   HD13  LEU  40          HD13      LEU  40  15.277   2.117  -2.732
  326   HD21  LEU  40          HD21      LEU  40  12.243   4.208  -3.352
  327   HD22  LEU  40          HD22      LEU  40  12.779   2.627  -2.780
  328   HD23  LEU  40          HD23      LEU  40  12.923   3.043  -4.488
  329    H    GLN  41           H        GLN  41  12.181   6.970  -3.143
  330    HA   GLN  41           HA       GLN  41  10.023   6.680  -1.231
  331    HB2  GLN  41           HB2      GLN  41  10.182   8.776  -2.448
  332    HB3  GLN  41           HB3      GLN  41  10.033   7.925  -3.980
  333    HG2  GLN  41           HG2      GLN  41   7.783   7.314  -3.510
  334    HG3  GLN  41           HG3      GLN  41   7.916   7.876  -1.847
  335   HE21  GLN  41          HE21      GLN  41   7.842  10.075  -1.416
  336   HE22  GLN  41          HE22      GLN  41   7.275  11.220  -2.585
  337    H    ALA  42           H        ALA  42   8.673   5.090  -1.148
  338    HA   ALA  42           HA       ALA  42   7.815   3.714  -3.561
  339    HB1  ALA  42           HB1      ALA  42   9.024   2.240  -1.222
  340    HB2  ALA  42           HB2      ALA  42   9.721   2.378  -2.837
  341    HB3  ALA  42           HB3      ALA  42   8.214   1.493  -2.600
  342    H    PHE  43           H        PHE  43   5.687   3.240  -3.457
  343    HA   PHE  43           HA       PHE  43   4.319   3.569  -0.908
  344    HB2  PHE  43           HB2      PHE  43   3.464   3.465  -3.761
  345    HB3  PHE  43           HB3      PHE  43   2.308   2.927  -2.546
  346    HD1  PHE  43           HD1      PHE  43   4.279   5.791  -3.752
  347    HD2  PHE  43           HD2      PHE  43   1.240   4.452  -1.093
  348    HE1  PHE  43           HE1      PHE  43   3.651   8.127  -3.304
  349    HE2  PHE  43           HE2      PHE  43   0.604   6.787  -0.637
  350    HZ   PHE  43           HZ       PHE  43   1.811   8.629  -1.746
  351    H    VAL  44           H        VAL  44   4.574   1.866   0.351
  352    HA   VAL  44           HA       VAL  44   4.644  -0.785  -0.893
  353    HB   VAL  44           HB       VAL  44   5.606   0.027   1.858
  354   HG11  VAL  44          HG11      VAL  44   6.083  -2.475   0.239
  355   HG12  VAL  44          HG12      VAL  44   5.113  -2.348   1.706
  356   HG13  VAL  44          HG13      VAL  44   6.858  -2.093   1.776
  357   HG21  VAL  44          HG21      VAL  44   7.858  -0.051   0.877
  358   HG22  VAL  44          HG22      VAL  44   6.852   1.194   0.133
  359   HG23  VAL  44          HG23      VAL  44   7.143  -0.325  -0.713
  360    H    LEU  45           H        LEU  45   3.237  -2.372  -0.288
  361    HA   LEU  45           HA       LEU  45   0.946  -1.415   1.261
  362    HB2  LEU  45           HB2      LEU  45   1.222  -3.614  -0.774
  363    HB3  LEU  45           HB3      LEU  45  -0.223  -3.385   0.193
  364    HG   LEU  45           HG       LEU  45   0.937  -1.422  -1.784
  365   HD11  LEU  45          HD11      LEU  45  -1.145  -1.790  -2.996
  366   HD12  LEU  45          HD12      LEU  45  -1.622  -3.004  -1.806
  367   HD13  LEU  45          HD13      LEU  45  -0.214  -3.280  -2.832
  368   HD21  LEU  45          HD21      LEU  45   0.004  -0.269   0.148
  369   HD22  LEU  45          HD22      LEU  45  -1.498  -1.176  -0.027
  370   HD23  LEU  45          HD23      LEU  45  -1.004  -0.037  -1.279
  371    H    HIS  46           H        HIS  46   0.427  -2.211   3.141
  372    HA   HIS  46           HA       HIS  46   2.232  -4.230   4.262
  373    HB2  HIS  46           HB2      HIS  46   1.984  -1.923   5.293
  374    HB3  HIS  46           HB3      HIS  46   0.353  -2.393   5.755
  375    HD1  HIS  46           HD1      HIS  46   0.208  -3.233   8.082
  376    HD2  HIS  46           HD2      HIS  46   3.954  -3.924   6.412
  377    HE1  HIS  46           HE1      HIS  46   1.579  -4.279   9.904
  378    HE2  HIS  46           HE2      HIS  46   3.889  -4.467   8.937
  379    H    LEU  47           H        LEU  47   1.345  -6.184   3.809
  380    HA   LEU  47           HA       LEU  47  -1.475  -6.651   4.353
  381    HB2  LEU  47           HB2      LEU  47   0.689  -8.519   3.378
  382    HB3  LEU  47           HB3      LEU  47  -0.980  -8.986   3.629
  383    HG   LEU  47           HG       LEU  47  -1.513  -7.099   1.919
  384   HD11  LEU  47          HD11      LEU  47   0.254  -6.774   0.256
  385   HD12  LEU  47          HD12      LEU  47   1.381  -7.660   1.286
  386   HD13  LEU  47          HD13      LEU  47   0.706  -6.123   1.831
  387   HD21  LEU  47          HD21      LEU  47  -1.881  -9.487   1.550
  388   HD22  LEU  47          HD22      LEU  47  -0.189  -9.678   1.083
  389   HD23  LEU  47          HD23      LEU  47  -1.271  -8.701   0.091
  390    H    ALA  48           H        ALA  48  -2.088  -8.540   5.687
  391    HA   ALA  48           HA       ALA  48  -0.997  -8.269   8.301
  392    HB1  ALA  48           HB1      ALA  48  -2.671  -9.901   8.957
  393    HB2  ALA  48           HB2      ALA  48  -2.967 -10.300   7.266
  394    HB3  ALA  48           HB3      ALA  48  -3.371  -8.696   7.876
  395    H    GLN  49           H        GLN  49   0.616  -9.564   6.013
  396    HA   GLN  49           HA       GLN  49   1.673 -11.761   7.631
  397    HB2  GLN  49           HB2      GLN  49   1.312 -11.865   4.624
  398    HB3  GLN  49           HB3      GLN  49   2.077 -13.102   5.608
  399    HG2  GLN  49           HG2      GLN  49   0.092 -14.092   5.662
  400    HG3  GLN  49           HG3      GLN  49  -0.400 -12.813   6.770
  401   HE21  GLN  49          HE21      GLN  49  -0.236 -10.773   4.666
  402   HE22  GLN  49          HE22      GLN  49  -1.632 -10.999   3.677
  403    H    ARG  50           H        ARG  50   2.201  -9.690   4.797
  404    HA   ARG  50           HA       ARG  50   4.713  -8.765   5.756
  405    HB2  ARG  50           HB2      ARG  50   5.848  -9.641   3.529
  406    HB3  ARG  50           HB3      ARG  50   5.844 -10.602   4.997
  407    HG2  ARG  50           HG2      ARG  50   5.319 -12.032   3.175
  408    HG3  ARG  50           HG3      ARG  50   3.856 -11.813   4.127
  409    HD2  ARG  50           HD2      ARG  50   3.032 -10.184   2.511
  410    HD3  ARG  50           HD3      ARG  50   4.510 -10.361   1.564
  411    HE   ARG  50           HE       ARG  50   3.065 -12.827   2.030
  412   HH11  ARG  50          HH11      ARG  50   3.571 -10.111  -0.130
  413   HH12  ARG  50          HH12      ARG  50   2.884 -10.914  -1.509
  414   HH21  ARG  50          HH21      ARG  50   2.174 -13.882   0.226
  415   HH22  ARG  50          HH22      ARG  50   2.071 -13.064  -1.304
  416    H    SER  51           H        SER  51   5.781  -7.350   4.036
  417    HA   SER  51           HA       SER  51   3.622  -5.789   2.834
  418    HB2  SER  51           HB2      SER  51   6.493  -5.039   3.439
  419    HB3  SER  51           HB3      SER  51   5.251  -3.947   2.829
  420    HG   SER  51           HG       SER  51   4.810  -3.609   4.844
  421    H    ILE  52           H        ILE  52   3.595  -5.147   0.735
  422    HA   ILE  52           HA       ILE  52   5.574  -6.384  -1.075
  423    HB   ILE  52           HB       ILE  52   2.746  -5.491  -1.701
  424   HG12  ILE  52          HG12      ILE  52   3.897  -8.281  -1.471
  425   HG13  ILE  52          HG13      ILE  52   2.865  -7.515  -0.269
  426   HG21  ILE  52          HG21      ILE  52   4.753  -6.955  -3.416
  427   HG22  ILE  52          HG22      ILE  52   4.265  -5.272  -3.609
  428   HG23  ILE  52          HG23      ILE  52   3.092  -6.564  -3.867
  429   HD11  ILE  52          HD11      ILE  52   1.051  -7.417  -1.899
  430   HD12  ILE  52          HD12      ILE  52   1.616  -9.069  -1.643
  431   HD13  ILE  52          HD13      ILE  52   2.090  -8.190  -3.097
  432    H    CYS  53           H        CYS  53   6.645  -5.048  -2.530
  433    HA   CYS  53           HA       CYS  53   6.501  -2.228  -1.736
  434    HB2  CYS  53           HB2      CYS  53   8.742  -3.639  -3.191
  435    HB3  CYS  53           HB3      CYS  53   8.803  -2.057  -2.420
  436    H    ILE  54           H        ILE  54   5.742  -0.767  -3.080
  437    HA   ILE  54           HA       ILE  54   5.573  -1.431  -5.939
  438    HB   ILE  54           HB       ILE  54   3.484  -0.308  -4.093
  439   HG12  ILE  54          HG12      ILE  54   3.457  -2.550  -6.126
  440   HG13  ILE  54          HG13      ILE  54   3.560  -2.734  -4.377
  441   HG21  ILE  54          HG21      ILE  54   2.089   0.211  -6.037
  442   HG22  ILE  54          HG22      ILE  54   3.461  -0.127  -7.094
  443   HG23  ILE  54          HG23      ILE  54   3.538   1.216  -5.951
  444   HD11  ILE  54          HD11      ILE  54   1.236  -1.600  -5.911
  445   HD12  ILE  54          HD12      ILE  54   1.336  -1.737  -4.155
  446   HD13  ILE  54          HD13      ILE  54   1.323  -3.191  -5.155
  447    H    HIS  55           H        HIS  55   5.945   0.192  -7.379
  448    HA   HIS  55           HA       HIS  55   7.415   2.491  -6.556
  449    HB2  HIS  55           HB2      HIS  55   7.790   1.309  -8.707
  450    HB3  HIS  55           HB3      HIS  55   6.190   1.807  -9.250
  451    HD1  HIS  55           HD1      HIS  55   6.157   3.862 -10.633
  452    HD2  HIS  55           HD2      HIS  55   9.534   3.675  -8.209
  453    HE1  HIS  55           HE1      HIS  55   7.546   5.868 -11.248
  454    HE2  HIS  55           HE2      HIS  55   9.672   5.626  -9.904
  455    HA   PRO  56           HA       PRO  56   4.110   5.266  -5.462
  456    HB2  PRO  56           HB2      PRO  56   5.317   7.516  -6.717
  457    HB3  PRO  56           HB3      PRO  56   5.361   7.084  -5.008
  458    HG2  PRO  56           HG2      PRO  56   7.379   6.635  -7.119
  459    HG3  PRO  56           HG3      PRO  56   7.598   6.811  -5.372
  460    HD2  PRO  56           HD2      PRO  56   7.855   4.435  -6.615
  461    HD3  PRO  56           HD3      PRO  56   7.196   4.568  -4.973
  462    H    GLN  57           H        GLN  57   5.467   5.857  -8.717
  463    HA   GLN  57           HA       GLN  57   2.815   6.368  -9.745
  464    HB2  GLN  57           HB2      GLN  57   5.548   6.335 -10.994
  465    HB3  GLN  57           HB3      GLN  57   4.107   6.346 -11.996
  466    HG2  GLN  57           HG2      GLN  57   4.944   8.583 -11.754
  467    HG3  GLN  57           HG3      GLN  57   3.398   8.439 -10.923
  468   HE21  GLN  57          HE21      GLN  57   3.318   8.665  -8.713
  469   HE22  GLN  57          HE22      GLN  57   4.657   9.247  -7.779
  470    H    ASN  58           H        ASN  58   1.912   4.368  -9.129
  471    HA   ASN  58           HA       ASN  58   2.133   2.375 -11.242
  472    HB2  ASN  58           HB2      ASN  58   3.390   1.940  -8.804
  473    HB3  ASN  58           HB3      ASN  58   1.841   1.121  -8.623
  474   HD21  ASN  58          HD21      ASN  58   1.379  -0.652  -9.874
  475   HD22  ASN  58          HD22      ASN  58   2.580  -1.456 -10.826
  476    HA   PRO  59           HA       PRO  59  -2.178   3.254 -11.036
  477    HB2  PRO  59           HB2      PRO  59  -2.432   0.579 -12.317
  478    HB3  PRO  59           HB3      PRO  59  -3.072   2.143 -12.836
  479    HG2  PRO  59           HG2      PRO  59  -0.975   1.066 -14.067
  480    HG3  PRO  59           HG3      PRO  59  -1.053   2.811 -13.761
  481    HD2  PRO  59           HD2      PRO  59   0.523   0.707 -12.337
  482    HD3  PRO  59           HD3      PRO  59   0.971   2.377 -12.737
  483    H    SER  60           H        SER  60  -0.838   0.220  -9.983
  484    HA   SER  60           HA       SER  60  -3.081  -0.940  -8.808
  485    HB2  SER  60           HB2      SER  60  -1.291  -2.137  -7.396
  486    HB3  SER  60           HB3      SER  60  -1.228  -2.332  -9.146
  487    HG   SER  60           HG       SER  60   0.664  -1.410  -7.550
  488    H    LEU  61           H        LEU  61  -0.884   1.531  -7.590
  489    HA   LEU  61           HA       LEU  61  -1.787   1.213  -4.867
  490    HB2  LEU  61           HB2      LEU  61   0.514   2.109  -5.843
  491    HB3  LEU  61           HB3      LEU  61  -0.320   3.648  -5.771
  492    HG   LEU  61           HG       LEU  61   1.061   3.298  -3.789
  493   HD11  LEU  61          HD11      LEU  61  -0.988   4.593  -3.538
  494   HD12  LEU  61          HD12      LEU  61  -0.607   3.697  -2.067
  495   HD13  LEU  61          HD13      LEU  61  -1.875   3.118  -3.147
  496   HD21  LEU  61          HD21      LEU  61  -0.680   0.902  -3.243
  497   HD22  LEU  61          HD22      LEU  61   0.596   1.533  -2.198
  498   HD23  LEU  61          HD23      LEU  61   1.003   0.847  -3.773
  499    H    SER  62           H        SER  62  -2.194   3.687  -7.420
  500    HA   SER  62           HA       SER  62  -3.957   5.342  -6.001
  501    HB2  SER  62           HB2      SER  62  -2.933   6.059  -8.111
  502    HB3  SER  62           HB3      SER  62  -3.837   4.826  -8.989
  503    HG   SER  62           HG       SER  62  -5.694   6.070  -7.787
  504    H    GLN  63           H        GLN  63  -4.617   2.612  -8.175
  505    HA   GLN  63           HA       GLN  63  -7.418   2.659  -7.886
  506    HB2  GLN  63           HB2      GLN  63  -5.516   0.432  -8.606
  507    HB3  GLN  63           HB3      GLN  63  -7.264   0.233  -8.601
  508    HG2  GLN  63           HG2      GLN  63  -7.506   1.912 -10.309
  509    HG3  GLN  63           HG3      GLN  63  -5.784   2.274 -10.242
  510   HE21  GLN  63          HE21      GLN  63  -6.976  -0.993 -10.038
  511   HE22  GLN  63          HE22      GLN  63  -6.431  -1.498 -11.597
  512    H    TRP  64           H        TRP  64  -4.854   1.380  -5.898
  513    HA   TRP  64           HA       TRP  64  -6.511  -0.251  -4.290
  514    HB2  TRP  64           HB2      TRP  64  -4.047  -0.531  -4.364
  515    HB3  TRP  64           HB3      TRP  64  -3.871   1.003  -3.512
  516    HD1  TRP  64           HD1      TRP  64  -3.229   0.457  -1.062
  517    HE1  TRP  64           HE1      TRP  64  -4.091  -1.178   0.727
  518    HE3  TRP  64           HE3      TRP  64  -6.644  -2.130  -3.869
  519    HZ2  TRP  64           HZ2      TRP  64  -5.951  -3.281   0.922
  520    HZ3  TRP  64           HZ3      TRP  64  -7.921  -3.932  -2.800
  521    HH2  TRP  64           HH2      TRP  64  -7.577  -4.495  -0.456
  522    H    PHE  65           H        PHE  65  -5.593   3.162  -4.140
  523    HA   PHE  65           HA       PHE  65  -6.582   3.807  -1.624
  524    HB2  PHE  65           HB2      PHE  65  -6.770   5.400  -4.192
  525    HB3  PHE  65           HB3      PHE  65  -7.181   6.046  -2.609
  526    HD1  PHE  65           HD1      PHE  65  -4.980   4.918  -0.967
  527    HD2  PHE  65           HD2      PHE  65  -4.953   6.652  -4.853
  528    HE1  PHE  65           HE1      PHE  65  -2.648   5.632  -0.630
  529    HE2  PHE  65           HE2      PHE  65  -2.625   7.364  -4.526
  530    HZ   PHE  65           HZ       PHE  65  -1.467   6.863  -2.412
  531    H    GLU  66           H        GLU  66  -8.311   3.699  -4.710
  532    HA   GLU  66           HA       GLU  66 -10.880   4.192  -3.676
  533    HB2  GLU  66           HB2      GLU  66 -10.263   2.538  -6.119
  534    HB3  GLU  66           HB3      GLU  66 -11.711   3.480  -5.802
  535    HG2  GLU  66           HG2      GLU  66  -8.973   4.642  -6.195
  536    HG3  GLU  66           HG3      GLU  66 -10.189   4.497  -7.459
  537    H    HIS  67           H        HIS  67  -9.134   1.200  -4.387
  538    HA   HIS  67           HA       HIS  67 -11.342  -0.509  -3.906
  539    HB2  HIS  67           HB2      HIS  67  -8.395  -1.003  -4.235
  540    HB3  HIS  67           HB3      HIS  67  -9.506  -2.312  -3.841
  541    HD1  HIS  67           HD1      HIS  67  -7.847  -1.907  -6.586
  542    HD2  HIS  67           HD2      HIS  67 -11.899  -1.193  -5.941
  543    HE1  HIS  67           HE1      HIS  67  -8.942  -2.087  -8.845
  544    HE2  HIS  67           HE2      HIS  67 -11.406  -1.760  -8.415
  545    H    GLN  68           H        GLN  68  -8.581   0.444  -1.849
  546    HA   GLN  68           HA       GLN  68  -9.149  -1.440   0.184
  547    HB2  GLN  68           HB2      GLN  68  -7.606  -0.247   1.569
  548    HB3  GLN  68           HB3      GLN  68  -6.969  -0.252  -0.069
  549    HG2  GLN  68           HG2      GLN  68  -7.856   2.046  -0.361
  550    HG3  GLN  68           HG3      GLN  68  -8.328   2.034   1.337
  551   HE21  GLN  68          HE21      GLN  68  -6.469   3.782  -0.032
  552   HE22  GLN  68          HE22      GLN  68  -4.951   3.610   0.773
  553    H    GLU  69           H        GLU  69 -10.427   1.717  -0.543
  554    HA   GLU  69           HA       GLU  69 -11.712   2.205   1.917
  555    HB2  GLU  69           HB2      GLU  69 -11.501   3.940   0.195
  556    HB3  GLU  69           HB3      GLU  69 -12.566   3.026  -0.867
  557    HG2  GLU  69           HG2      GLU  69 -14.369   3.260   0.811
  558    HG3  GLU  69           HG3      GLU  69 -13.297   4.273   1.775
  559    H    ARG  70           H        ARG  70 -12.662   0.366  -0.951
  560    HA   ARG  70           HA       ARG  70 -15.050  -0.511   0.530
  561    HB2  ARG  70           HB2      ARG  70 -16.093  -0.983  -1.651
  562    HB3  ARG  70           HB3      ARG  70 -15.679   0.710  -1.444
  563    HG2  ARG  70           HG2      ARG  70 -13.667   0.350  -2.834
  564    HG3  ARG  70           HG3      ARG  70 -14.190  -1.318  -3.098
  565    HD2  ARG  70           HD2      ARG  70 -16.339  -0.413  -3.994
  566    HD3  ARG  70           HD3      ARG  70 -15.640   1.201  -3.896
  567    HE   ARG  70           HE       ARG  70 -14.047  -0.648  -5.413
  568   HH11  ARG  70          HH11      ARG  70 -16.766   1.555  -5.528
  569   HH12  ARG  70          HH12      ARG  70 -16.652   1.805  -7.247
  570   HH21  ARG  70          HH21      ARG  70 -13.905  -0.333  -7.687
  571   HH22  ARG  70          HH22      ARG  70 -15.018   0.751  -8.467
  572    H    LYS  71           H        LYS  71 -12.409  -1.685   0.769
  573    HA   LYS  71           HA       LYS  71 -13.256  -4.445   0.289
  574    HB2  LYS  71           HB2      LYS  71 -11.451  -3.469  -1.422
  575    HB3  LYS  71           HB3      LYS  71 -10.352  -3.831  -0.099
  576    HG2  LYS  71           HG2      LYS  71 -11.137  -6.177  -0.131
  577    HG3  LYS  71           HG3      LYS  71 -12.168  -5.786  -1.502
  578    HD2  LYS  71           HD2      LYS  71  -9.186  -5.372  -1.514
  579    HD3  LYS  71           HD3      LYS  71  -9.951  -6.870  -2.047
  580    HE2  LYS  71           HE2      LYS  71 -10.571  -4.151  -3.194
  581    HE3  LYS  71           HE3      LYS  71  -9.395  -5.269  -3.886
  582    HZ1  LYS  71           HZ1      LYS  71 -12.300  -5.800  -3.532
  583    HZ2  LYS  71           HZ2      LYS  71 -11.177  -6.894  -4.177
  584    HZ3  LYS  71           HZ3      LYS  71 -11.525  -5.452  -4.999
  585    H    LEU  72           H        LEU  72 -10.959  -5.651   1.453
  586    HA   LEU  72           HA       LEU  72 -10.701  -6.555   3.496
  587    HB2  LEU  72           HB2      LEU  72  -9.434  -4.837   5.018
  588    HB3  LEU  72           HB3      LEU  72  -8.688  -5.566   3.618
  589    HG   LEU  72           HG       LEU  72 -10.041  -2.908   3.348
  590   HD11  LEU  72          HD11      LEU  72  -7.220  -3.359   4.292
  591   HD12  LEU  72          HD12      LEU  72  -8.544  -2.762   5.296
  592   HD13  LEU  72          HD13      LEU  72  -7.973  -1.805   3.927
  593   HD21  LEU  72          HD21      LEU  72  -8.554  -2.663   1.526
  594   HD22  LEU  72          HD22      LEU  72  -9.214  -4.303   1.427
  595   HD23  LEU  72          HD23      LEU  72  -7.583  -4.041   2.049
  596    H    HIS  73           H        HIS  73 -11.006  -3.430   5.004
  597    HA   HIS  73           HA       HIS  73 -13.704  -3.981   5.847
  598    HB2  HIS  73           HB2      HIS  73 -13.229  -3.915   8.228
  599    HB3  HIS  73           HB3      HIS  73 -12.376  -5.235   7.449
  600    HD1  HIS  73           HD1      HIS  73 -11.849  -3.181  10.119
  601    HD2  HIS  73           HD2      HIS  73  -9.542  -3.956   6.746
  602    HE1  HIS  73           HE1      HIS  73  -9.479  -2.660  10.777
  603    HE2  HIS  73           HE2      HIS  73  -8.143  -2.927   8.660
  604    H    GLY  74           H        GLY  74 -12.281  -2.020   4.262
  605    HA2  GLY  74           HA2      GLY  74 -12.523   0.212   3.814
  606    HA3  GLY  74           HA3      GLY  74 -13.764   0.228   5.055
  607    H    THR  75           H        THR  75 -10.218  -0.151   5.022
  608    HA   THR  75           HA       THR  75 -10.071   2.082   6.926
  609    HB   THR  75           HB       THR  75  -8.160   0.816   8.025
  610    HG1  THR  75           HG1      THR  75  -7.923  -0.799   6.421
  611   HG21  THR  75          HG21      THR  75 -10.937  -0.355   8.267
  612   HG22  THR  75          HG22      THR  75 -10.366   1.102   9.080
  613   HG23  THR  75          HG23      THR  75  -9.656  -0.463   9.474
  614    H    LEU  76           H        LEU  76  -8.657   3.582   6.384
  615    HA   LEU  76           HA       LEU  76  -6.187   2.940   5.083
  616    HB2  LEU  76           HB2      LEU  76  -6.488   4.173   3.092
  617    HB3  LEU  76           HB3      LEU  76  -7.817   3.046   3.220
  618    HG   LEU  76           HG       LEU  76  -9.091   5.084   4.246
  619   HD11  LEU  76          HD11      LEU  76  -8.299   7.204   3.679
  620   HD12  LEU  76          HD12      LEU  76  -7.131   6.553   2.525
  621   HD13  LEU  76          HD13      LEU  76  -6.873   6.328   4.261
  622   HD21  LEU  76          HD21      LEU  76  -8.423   4.905   1.305
  623   HD22  LEU  76          HD22      LEU  76  -9.804   5.755   1.998
  624   HD23  LEU  76          HD23      LEU  76  -9.687   4.002   2.141
  625    HA   PRO  77           HA       PRO  77  -5.074   6.485   7.429
  626    HB2  PRO  77           HB2      PRO  77  -2.555   6.810   6.583
  627    HB3  PRO  77           HB3      PRO  77  -3.035   5.404   7.542
  628    HG2  PRO  77           HG2      PRO  77  -2.596   5.620   4.593
  629    HG3  PRO  77           HG3      PRO  77  -2.132   4.316   5.701
  630    HD2  PRO  77           HD2      PRO  77  -4.371   4.272   4.081
  631    HD3  PRO  77           HD3      PRO  77  -4.179   3.320   5.566
  632    H    LYS  78           H        LYS  78  -5.534   8.579   7.161
  633    HA   LYS  78           HA       LYS  78  -5.678   9.677   4.485
  634    HB2  LYS  78           HB2      LYS  78  -7.421  10.212   6.156
  635    HB3  LYS  78           HB3      LYS  78  -6.212  11.035   7.133
  636    HG2  LYS  78           HG2      LYS  78  -5.880  12.693   5.427
  637    HG3  LYS  78           HG3      LYS  78  -6.939  11.820   4.318
  638    HD2  LYS  78           HD2      LYS  78  -8.819  12.180   5.843
  639    HD3  LYS  78           HD3      LYS  78  -7.757  13.065   6.940
  640    HE2  LYS  78           HE2      LYS  78  -8.310  13.852   4.082
  641    HE3  LYS  78           HE3      LYS  78  -9.143  14.527   5.480
  642    HZ1  LYS  78           HZ1      LYS  78  -7.297  15.916   4.664
  643    HZ2  LYS  78           HZ2      LYS  78  -6.207  14.678   5.053
  644    HZ3  LYS  78           HZ3      LYS  78  -7.097  15.437   6.280
  645    H    LEU  79           H        LEU  79  -3.456   9.520   3.971
  646    HA   LEU  79           HA       LEU  79  -1.706  11.433   5.312
  647    HB2  LEU  79           HB2      LEU  79   0.142  10.377   4.302
  648    HB3  LEU  79           HB3      LEU  79  -0.902   9.096   4.876
  649    HG   LEU  79           HG       LEU  79  -1.010   9.977   2.001
  650   HD11  LEU  79          HD11      LEU  79   0.865   7.947   3.193
  651   HD12  LEU  79          HD12      LEU  79   1.325   9.520   2.547
  652   HD13  LEU  79          HD13      LEU  79   0.654   8.289   1.475
  653   HD21  LEU  79          HD21      LEU  79  -1.772   7.513   3.543
  654   HD22  LEU  79          HD22      LEU  79  -1.511   7.466   1.801
  655   HD23  LEU  79          HD23      LEU  79  -2.768   8.500   2.471
  656    H    ASN  80           H        ASN  80  -3.951  11.901   3.424
  657    HA   ASN  80           HA       ASN  80  -4.567  13.185   1.670
  658    HB2  ASN  80           HB2      ASN  80  -1.985  14.647   2.266
  659    HB3  ASN  80           HB3      ASN  80  -3.334  15.275   1.325
  660   HD21  ASN  80          HD21      ASN  80  -2.024  14.819   4.433
  661   HD22  ASN  80          HD22      ASN  80  -3.347  15.468   5.341
  662    H    PHE  81           H        PHE  81  -4.555  11.814  -0.008
  663    HA   PHE  81           HA       PHE  81  -2.055  11.513  -1.533
  664    HB2  PHE  81           HB2      PHE  81  -3.063   9.262  -2.187
  665    HB3  PHE  81           HB3      PHE  81  -2.469   9.413  -0.540
  666    HD1  PHE  81           HD2      PHE  81  -5.484   9.235  -2.642
  667    HD2  PHE  81           HD1      PHE  81  -3.953   9.272   1.330
  668    HE1  PHE  81           HE2      PHE  81  -7.673   8.503  -1.796
  669    HE2  PHE  81           HE1      PHE  81  -6.145   8.538   2.182
  670    HZ   PHE  81           HZ       PHE  81  -8.007   8.151   0.617
  671    H    GLY  82           H        GLY  82  -4.366  13.414  -1.816
  672    HA2  GLY  82           HA2      GLY  82  -5.927  12.611  -4.064
  673    HA3  GLY  82           HA3      GLY  82  -5.773  14.246  -3.437
  674    H    MET  83           H        MET  83  -2.751  13.823  -3.728
  675    HA   MET  83           HA       MET  83  -2.573  15.005  -6.353
  676    HB2  MET  83           HB2      MET  83  -0.321  15.517  -5.803
  677    HB3  MET  83           HB3      MET  83  -1.239  15.744  -4.321
  678    HG2  MET  83           HG2      MET  83   0.441  13.338  -5.010
  679    HG3  MET  83           HG3      MET  83   0.890  14.633  -3.905
  680    HE1  MET  83           HE1      MET  83   0.790  11.387  -3.374
  681    HE2  MET  83           HE2      MET  83   0.198  11.357  -1.714
  682    HE3  MET  83           HE3      MET  83   1.434  12.523  -2.184
  683    H    LEU  84           H        LEU  84  -2.695  11.875  -5.296
  684    HA   LEU  84           HA       LEU  84  -0.879  10.934  -7.420
  685    HB2  LEU  84           HB2      LEU  84  -0.230  10.335  -5.092
  686    HB3  LEU  84           HB3      LEU  84  -1.734   9.449  -4.934
  687    HG   LEU  84           HG       LEU  84  -0.999   7.964  -6.798
  688   HD11  LEU  84          HD11      LEU  84   1.603   9.451  -6.491
  689   HD12  LEU  84          HD12      LEU  84   0.537   9.489  -7.896
  690   HD13  LEU  84          HD13      LEU  84   1.355   7.991  -7.449
  691   HD21  LEU  84          HD21      LEU  84   0.888   8.113  -4.451
  692   HD22  LEU  84          HD22      LEU  84   0.588   6.700  -5.465
  693   HD23  LEU  84          HD23      LEU  84  -0.699   7.343  -4.446
  694    H    ARG  85           H        ARG  85  -4.114  11.024  -6.342
  695    HA   ARG  85           HA       ARG  85  -5.020   8.526  -7.281
  696    HB2  ARG  85           HB2      ARG  85  -6.571  11.083  -6.878
  697    HB3  ARG  85           HB3      ARG  85  -7.277   9.491  -7.107
  698    HG2  ARG  85           HG2      ARG  85  -6.279   8.712  -5.042
  699    HG3  ARG  85           HG3      ARG  85  -5.466  10.261  -4.825
  700    HD2  ARG  85           HD2      ARG  85  -7.322  10.419  -3.433
  701    HD3  ARG  85           HD3      ARG  85  -7.822  11.274  -4.889
  702    HE   ARG  85           HE       ARG  85  -8.661   8.659  -5.215
  703   HH11  ARG  85          HH11      ARG  85  -9.218  11.223  -2.884
  704   HH12  ARG  85          HH12      ARG  85 -10.844  10.706  -2.530
  705   HH21  ARG  85          HH21      ARG  85 -10.768   7.972  -4.718
  706   HH22  ARG  85          HH22      ARG  85 -11.724   8.882  -3.572
  707    H    LYS  86           H        LYS  86  -4.822   7.866  -9.259
  708    HA   LYS  86           HA       LYS  86  -4.748   7.748 -11.515
  709    HB2  LYS  86           HB2      LYS  86  -6.807   9.947 -11.343
  710    HB3  LYS  86           HB3      LYS  86  -6.391   9.081 -12.816
  711    HG2  LYS  86           HG2      LYS  86  -7.020   6.965 -11.531
  712    HG3  LYS  86           HG3      LYS  86  -7.779   8.058 -10.371
  713    HD2  LYS  86           HD2      LYS  86  -9.446   7.347 -11.946
  714    HD3  LYS  86           HD3      LYS  86  -9.077   9.046 -12.258
  715    HE2  LYS  86           HE2      LYS  86  -7.486   8.286 -14.035
  716    HE3  LYS  86           HE3      LYS  86  -8.088   6.648 -13.792
  717    HZ1  LYS  86           HZ1      LYS  86 -10.331   7.496 -14.353
  718    HZ2  LYS  86           HZ2      LYS  86  -9.223   7.613 -15.629
  719    HZ3  LYS  86           HZ3      LYS  86  -9.639   8.997 -14.740
  720    H    MET  87           H        MET  87  -3.188   9.828  -9.932
  721    HA   MET  87           HA       MET  87  -2.444  11.579 -12.179
  722    HB2  MET  87           HB2      MET  87  -2.063  11.912  -9.205
  723    HB3  MET  87           HB3      MET  87  -1.359  12.992 -10.409
  724    HG2  MET  87           HG2      MET  87  -3.635  13.513 -11.211
  725    HG3  MET  87           HG3      MET  87  -4.290  12.502  -9.926
  726    HE1  MET  87           HE1      MET  87  -5.794  14.370  -8.981
  727    HE2  MET  87           HE2      MET  87  -5.277  15.474 -10.257
  728    HE3  MET  87           HE3      MET  87  -5.245  15.996  -8.571
  729    H    GLY  88           H        GLY  88  -1.353   9.092 -10.079
  730    HA2  GLY  88           HA2      GLY  88   1.375   9.377 -11.174
  731    HA3  GLY  88           HA3      GLY  88   1.005   8.634  -9.622
  Start of MODEL   10
    1    H1   PHE   1           HT1      PHE   1  14.852  -8.950   0.728
    2    H2   PHE   1           HT2      PHE   1  14.582 -10.500   1.355
    3    H3   PHE   1           HT3      PHE   1  16.149  -9.851   1.345
    4    HA   PHE   1           HA       PHE   1  15.148  -9.791   3.553
    5    HB2  PHE   1           HB2      PHE   1  15.537  -7.360   3.981
    6    HB3  PHE   1           HB3      PHE   1  16.831  -8.140   3.084
    7    HD1  PHE   1           HD2      PHE   1  17.141  -7.665   0.691
    8    HD2  PHE   1           HD1      PHE   1  14.244  -5.600   3.026
    9    HE1  PHE   1           HE2      PHE   1  16.989  -5.925  -1.042
   10    HE2  PHE   1           HE1      PHE   1  14.091  -3.853   1.299
   11    HZ   PHE   1           HZ       PHE   1  15.462  -4.017  -0.739
   12    H    LEU   2           H        LEU   2  13.337  -9.824   4.627
   13    HA   LEU   2           HA       LEU   2  10.899  -8.791   3.549
   14    HB2  LEU   2           HB2      LEU   2   9.859  -9.495   5.608
   15    HB3  LEU   2           HB3      LEU   2  10.949 -10.754   5.064
   16    HG   LEU   2           HG       LEU   2  11.825  -8.765   7.144
   17   HD11  LEU   2          HD11      LEU   2  10.342 -11.347   7.631
   18   HD12  LEU   2          HD12      LEU   2   9.727  -9.723   7.939
   19   HD13  LEU   2          HD13      LEU   2  11.098 -10.337   8.864
   20   HD21  LEU   2          HD21      LEU   2  13.326 -10.554   7.801
   21   HD22  LEU   2          HD22      LEU   2  13.520 -10.203   6.084
   22   HD23  LEU   2          HD23      LEU   2  12.614 -11.627   6.597
   23    H    LEU   3           H        LEU   3   9.772  -6.950   4.208
   24    HA   LEU   3           HA       LEU   3  11.506  -4.924   5.374
   25    HB2  LEU   3           HB2      LEU   3   8.995  -4.758   3.737
   26    HB3  LEU   3           HB3      LEU   3   9.600  -3.370   4.622
   27    HG   LEU   3           HG       LEU   3  10.385  -3.135   2.403
   28   HD11  LEU   3          HD11      LEU   3  12.807  -3.223   2.657
   29   HD12  LEU   3          HD12      LEU   3  12.630  -4.285   4.055
   30   HD13  LEU   3          HD13      LEU   3  12.039  -2.627   4.129
   31   HD21  LEU   3          HD21      LEU   3  10.013  -5.428   1.649
   32   HD22  LEU   3          HD22      LEU   3  11.416  -5.963   2.578
   33   HD23  LEU   3          HD23      LEU   3  11.625  -4.863   1.213
   34    HA   PRO   4           HA       PRO   4   9.392  -5.500   9.285
   35    HB2  PRO   4           HB2      PRO   4  11.120  -3.153   9.865
   36    HB3  PRO   4           HB3      PRO   4  10.940  -4.664  10.762
   37    HG2  PRO   4           HG2      PRO   4  13.118  -4.205   9.296
   38    HG3  PRO   4           HG3      PRO   4  12.390  -5.821   9.362
   39    HD2  PRO   4           HD2      PRO   4  12.239  -3.762   7.198
   40    HD3  PRO   4           HD3      PRO   4  12.381  -5.534   7.066
   41    HA   PRO   5           HA       PRO   5   6.085  -2.649   8.849
   42    HB2  PRO   5           HB2      PRO   5   6.129  -2.472  11.820
   43    HB3  PRO   5           HB3      PRO   5   4.793  -2.880  10.735
   44    HG2  PRO   5           HG2      PRO   5   6.008  -4.777  12.139
   45    HG3  PRO   5           HG3      PRO   5   5.518  -5.073  10.460
   46    HD2  PRO   5           HD2      PRO   5   8.233  -4.495  11.569
   47    HD3  PRO   5           HD3      PRO   5   7.758  -5.611  10.271
   48    H    SER   6           H        SER   6   6.467  -0.676   8.121
   49    HA   SER   6           HA       SER   6   7.064   1.496   7.976
   50    HB2  SER   6           HB2      SER   6   5.666   1.502  10.168
   51    HB3  SER   6           HB3      SER   6   7.225   1.688  10.973
   52    HG   SER   6           HG       SER   6   6.419   3.363   8.836
   53    H    THR   7           H        THR   7   9.027  -0.617   8.132
   54    HA   THR   7           HA       THR   7  11.349   1.164   8.403
   55    HB   THR   7           HB       THR   7  11.513  -1.800   8.996
   56    HG1  THR   7           HG1      THR   7  10.486   0.179  10.564
   57   HG21  THR   7          HG21      THR   7  13.327   0.531   9.644
   58   HG22  THR   7          HG22      THR   7  13.608  -0.691   8.404
   59   HG23  THR   7          HG23      THR   7  13.616  -1.149  10.108
   60    H    ALA   8           H        ALA   8   9.711   0.761   6.241
   61    HA   ALA   8           HA       ALA   8  10.696  -1.442   4.643
   62    HB1  ALA   8           HB1      ALA   8   8.895  -0.876   3.102
   63    HB2  ALA   8           HB2      ALA   8   8.513   0.552   4.065
   64    HB3  ALA   8           HB3      ALA   8   8.290  -1.059   4.748
   65    H    CYS   9           H        CYS   9  12.800  -0.706   4.214
   66    HA   CYS   9           HA       CYS   9  12.913   1.540   2.335
   67    HB2  CYS   9           HB2      CYS   9  14.523   1.652   4.197
   68    HB3  CYS   9           HB3      CYS   9  15.185   0.094   3.716
   69    H    CYS  10           H        CYS  10  11.904   0.349   0.683
   70    HA   CYS  10           HA       CYS  10  13.055  -2.128  -0.213
   71    HB2  CYS  10           HB2      CYS  10  10.941  -0.351  -1.450
   72    HB3  CYS  10           HB3      CYS  10  11.369  -1.961  -2.020
   73    H    THR  11           H        THR  11  14.892  -2.183  -1.328
   74    HA   THR  11           HA       THR  11  15.563   0.008  -3.128
   75    HB   THR  11           HB       THR  11  17.680  -1.443  -3.461
   76    HG1  THR  11           HG1      THR  11  17.725  -2.637  -1.157
   77   HG21  THR  11          HG21      THR  11  17.667   0.616  -2.151
   78   HG22  THR  11          HG22      THR  11  18.670  -0.606  -1.369
   79   HG23  THR  11          HG23      THR  11  17.054  -0.263  -0.750
   80    H    GLN  12           H        GLN  12  13.673  -2.582  -3.287
   81    HA   GLN  12           HA       GLN  12  14.056  -2.846  -6.160
   82    HB2  GLN  12           HB2      GLN  12  13.209  -5.309  -5.783
   83    HB3  GLN  12           HB3      GLN  12  14.912  -4.907  -5.679
   84    HG2  GLN  12           HG2      GLN  12  14.336  -6.405  -3.909
   85    HG3  GLN  12           HG3      GLN  12  14.720  -4.829  -3.226
   86   HE21  GLN  12          HE21      GLN  12  13.184  -3.735  -2.116
   87   HE22  GLN  12          HE22      GLN  12  11.618  -4.355  -1.758
   88    H    LEU  13           H        LEU  13  12.188  -3.138  -7.374
   89    HA   LEU  13           HA       LEU  13   9.691  -2.671  -5.879
   90    HB2  LEU  13           HB2      LEU  13  10.525  -1.470  -8.524
   91    HB3  LEU  13           HB3      LEU  13   8.939  -1.288  -7.801
   92    HG   LEU  13           HG       LEU  13  11.519  -0.280  -6.598
   93   HD11  LEU  13          HD11      LEU  13   9.275   1.220  -7.943
   94   HD12  LEU  13          HD12      LEU  13  10.883   0.945  -8.618
   95   HD13  LEU  13          HD13      LEU  13  10.691   1.935  -7.170
   96   HD21  LEU  13          HD21      LEU  13  10.053   0.888  -5.023
   97   HD22  LEU  13          HD22      LEU  13   9.869  -0.861  -4.906
   98   HD23  LEU  13          HD23      LEU  13   8.650   0.098  -5.745
   99    H    TYR  14           H        TYR  14   7.868  -3.720  -6.566
  100    HA   TYR  14           HA       TYR  14   8.327  -6.146  -8.004
  101    HB2  TYR  14           HB2      TYR  14   6.769  -5.860  -6.034
  102    HB3  TYR  14           HB3      TYR  14   5.665  -5.024  -7.119
  103    HD1  TYR  14           HD1      TYR  14   7.732  -8.104  -7.560
  104    HD2  TYR  14           HD2      TYR  14   3.841  -6.391  -7.476
  105    HE1  TYR  14           HE1      TYR  14   6.770 -10.273  -8.210
  106    HE2  TYR  14           HE2      TYR  14   2.868  -8.551  -8.127
  107    HH   TYR  14           HH       TYR  14   4.684 -11.467  -8.116
  108    H    ARG  15           H        ARG  15   6.576  -3.147  -8.669
  109    HA   ARG  15           HA       ARG  15   5.899  -2.156 -10.596
  110    HB2  ARG  15           HB2      ARG  15   7.988  -4.026 -11.689
  111    HB3  ARG  15           HB3      ARG  15   7.103  -2.912 -12.721
  112    HG2  ARG  15           HG2      ARG  15   8.813  -2.132 -10.370
  113    HG3  ARG  15           HG3      ARG  15   9.282  -2.029 -12.068
  114    HD2  ARG  15           HD2      ARG  15   7.095  -0.508 -10.667
  115    HD3  ARG  15           HD3      ARG  15   8.577   0.141 -11.367
  116    HE   ARG  15           HE       ARG  15   6.650  -1.192 -13.133
  117   HH11  ARG  15          HH11      ARG  15   8.325   1.733 -12.140
  118   HH12  ARG  15          HH12      ARG  15   7.689   2.675 -13.462
  119   HH21  ARG  15          HH21      ARG  15   5.857   0.047 -14.859
  120   HH22  ARG  15          HH22      ARG  15   6.304   1.723 -15.000
  121    H    LYS  16           H        LYS  16   4.543  -4.653  -9.646
  122    HA   LYS  16           HA       LYS  16   3.103  -5.210 -12.130
  123    HB2  LYS  16           HB2      LYS  16   4.648  -7.055 -11.850
  124    HB3  LYS  16           HB3      LYS  16   4.128  -7.285 -10.189
  125    HG2  LYS  16           HG2      LYS  16   1.969  -8.033 -10.902
  126    HG3  LYS  16           HG3      LYS  16   2.338  -7.631 -12.582
  127    HD2  LYS  16           HD2      LYS  16   4.048  -9.317 -12.665
  128    HD3  LYS  16           HD3      LYS  16   3.863  -9.649 -10.941
  129    HE2  LYS  16           HE2      LYS  16   1.614 -10.470 -11.310
  130    HE3  LYS  16           HE3      LYS  16   1.717 -10.053 -13.022
  131    HZ1  LYS  16           HZ1      LYS  16   3.341 -11.708 -13.376
  132    HZ2  LYS  16           HZ2      LYS  16   2.122 -12.445 -12.458
  133    HZ3  LYS  16           HZ3      LYS  16   3.567 -11.964 -11.716
  134    HA   PRO  17           HA       PRO  17  -0.400  -4.326  -9.531
  135    HB2  PRO  17           HB2      PRO  17  -1.886  -5.863 -11.577
  136    HB3  PRO  17           HB3      PRO  17  -2.121  -4.202 -11.027
  137    HG2  PRO  17           HG2      PRO  17  -1.064  -4.722 -13.426
  138    HG3  PRO  17           HG3      PRO  17  -0.495  -3.361 -12.441
  139    HD2  PRO  17           HD2      PRO  17   0.760  -6.047 -12.866
  140    HD3  PRO  17           HD3      PRO  17   1.523  -4.445 -12.778
  141    H    LEU  18           H        LEU  18  -1.127  -5.408  -7.821
  142    HA   LEU  18           HA       LEU  18  -0.674  -8.253  -7.631
  143    HB2  LEU  18           HB2      LEU  18  -1.733  -6.261  -5.627
  144    HB3  LEU  18           HB3      LEU  18  -1.357  -7.936  -5.273
  145    HG   LEU  18           HG       LEU  18   0.665  -5.895  -6.206
  146   HD11  LEU  18          HD11      LEU  18  -0.188  -5.332  -3.993
  147   HD12  LEU  18          HD12      LEU  18   1.474  -5.918  -3.900
  148   HD13  LEU  18          HD13      LEU  18   0.139  -6.975  -3.440
  149   HD21  LEU  18          HD21      LEU  18   0.970  -8.708  -5.156
  150   HD22  LEU  18          HD22      LEU  18   2.296  -7.597  -5.497
  151   HD23  LEU  18          HD23      LEU  18   1.265  -8.167  -6.809
  152    H    SER  19           H        SER  19  -2.334  -9.705  -6.784
  153    HA   SER  19           HA       SER  19  -4.782  -9.507  -8.203
  154    HB2  SER  19           HB2      SER  19  -4.035 -11.389  -5.951
  155    HB3  SER  19           HB3      SER  19  -5.345 -11.616  -7.108
  156    HG   SER  19           HG       SER  19  -3.611 -11.505  -8.758
  157    H    ASP  20           H        ASP  20  -6.767  -8.850  -7.544
  158    HA   ASP  20           HA       ASP  20  -7.036  -7.050  -5.412
  159    HB2  ASP  20           HB2      ASP  20  -8.470  -7.165  -7.467
  160    HB3  ASP  20           HB3      ASP  20  -9.245  -8.586  -6.770
  161    H    LYS  21           H        LYS  21  -7.661 -10.492  -5.646
  162    HA   LYS  21           HA       LYS  21  -9.088 -10.883  -3.272
  163    HB2  LYS  21           HB2      LYS  21  -7.281 -12.610  -4.916
  164    HB3  LYS  21           HB3      LYS  21  -7.856 -13.196  -3.362
  165    HG2  LYS  21           HG2      LYS  21  -9.665 -12.230  -5.562
  166    HG3  LYS  21           HG3      LYS  21  -9.209 -13.917  -5.325
  167    HD2  LYS  21           HD2      LYS  21 -10.128 -13.761  -3.007
  168    HD3  LYS  21           HD3      LYS  21 -10.717 -12.148  -3.404
  169    HE2  LYS  21           HE2      LYS  21 -11.470 -14.674  -4.861
  170    HE3  LYS  21           HE3      LYS  21 -12.449 -13.895  -3.621
  171    HZ1  LYS  21           HZ1      LYS  21 -13.211 -13.289  -5.809
  172    HZ2  LYS  21           HZ2      LYS  21 -11.671 -12.714  -6.234
  173    HZ3  LYS  21           HZ3      LYS  21 -12.572 -11.926  -5.028
  174    H    LEU  22           H        LEU  22  -5.559 -10.888  -3.809
  175    HA   LEU  22           HA       LEU  22  -5.045 -11.247  -1.029
  176    HB2  LEU  22           HB2      LEU  22  -2.713 -10.983  -1.528
  177    HB3  LEU  22           HB3      LEU  22  -3.444 -12.030  -2.723
  178    HG   LEU  22           HG       LEU  22  -3.567  -9.837  -4.157
  179   HD11  LEU  22          HD11      LEU  22  -2.854  -8.306  -2.412
  180   HD12  LEU  22          HD12      LEU  22  -1.681  -8.335  -3.729
  181   HD13  LEU  22          HD13      LEU  22  -1.341  -9.195  -2.227
  182   HD21  LEU  22          HD21      LEU  22  -2.290 -11.817  -4.739
  183   HD22  LEU  22          HD22      LEU  22  -1.001 -11.330  -3.640
  184   HD23  LEU  22          HD23      LEU  22  -1.353 -10.359  -5.068
  185    H    LEU  23           H        LEU  23  -5.603  -8.562  -3.120
  186    HA   LEU  23           HA       LEU  23  -4.429  -6.533  -1.579
  187    HB2  LEU  23           HB2      LEU  23  -6.722  -6.475  -3.527
  188    HB3  LEU  23           HB3      LEU  23  -6.112  -5.031  -2.741
  189    HG   LEU  23           HG       LEU  23  -4.538  -6.838  -4.579
  190   HD11  LEU  23          HD11      LEU  23  -5.572  -4.034  -4.963
  191   HD12  LEU  23          HD12      LEU  23  -6.189  -5.484  -5.752
  192   HD13  LEU  23          HD13      LEU  23  -4.551  -4.924  -6.094
  193   HD21  LEU  23          HD21      LEU  23  -3.739  -4.278  -3.195
  194   HD22  LEU  23          HD22      LEU  23  -2.780  -5.143  -4.396
  195   HD23  LEU  23          HD23      LEU  23  -3.123  -5.892  -2.836
  196    H    ARG  24           H        ARG  24  -7.777  -7.805  -1.524
  197    HA   ARG  24           HA       ARG  24  -8.713  -6.073   0.479
  198    HB2  ARG  24           HB2      ARG  24 -10.572  -7.565   0.736
  199    HB3  ARG  24           HB3      ARG  24 -10.152  -7.493  -0.968
  200    HG2  ARG  24           HG2      ARG  24  -9.027  -9.640  -0.803
  201    HG3  ARG  24           HG3      ARG  24  -9.384  -9.707   0.924
  202    HD2  ARG  24           HD2      ARG  24 -11.799  -9.629   0.382
  203    HD3  ARG  24           HD3      ARG  24 -11.386  -9.685  -1.330
  204    HE   ARG  24           HE       ARG  24 -10.165 -11.883  -0.454
  205   HH11  ARG  24          HH11      ARG  24 -13.361 -10.651   0.292
  206   HH12  ARG  24          HH12      ARG  24 -14.073 -12.233   0.461
  207   HH21  ARG  24          HH21      ARG  24 -11.083 -13.963  -0.218
  208   HH22  ARG  24          HH22      ARG  24 -12.766 -14.123   0.182
  209    H    LYS  25           H        LYS  25  -6.230  -8.094   0.838
  210    HA   LYS  25           HA       LYS  25  -6.787  -8.823   3.629
  211    HB2  LYS  25           HB2      LYS  25  -4.400  -9.572   1.951
  212    HB3  LYS  25           HB3      LYS  25  -4.856 -10.250   3.503
  213    HG2  LYS  25           HG2      LYS  25  -6.696 -11.405   2.577
  214    HG3  LYS  25           HG3      LYS  25  -6.576 -10.514   1.057
  215    HD2  LYS  25           HD2      LYS  25  -5.665 -12.752   0.791
  216    HD3  LYS  25           HD3      LYS  25  -4.389 -11.543   0.639
  217    HE2  LYS  25           HE2      LYS  25  -3.552 -13.343   1.955
  218    HE3  LYS  25           HE3      LYS  25  -3.796 -11.951   3.008
  219    HZ1  LYS  25           HZ1      LYS  25  -5.714 -14.200   2.728
  220    HZ2  LYS  25           HZ2      LYS  25  -5.815 -12.911   3.830
  221    HZ3  LYS  25           HZ3      LYS  25  -4.577 -14.060   3.980
  222    H    VAL  26           H        VAL  26  -5.228  -6.530   1.683
  223    HA   VAL  26           HA       VAL  26  -2.893  -6.076   3.255
  224    HB   VAL  26           HB       VAL  26  -4.209  -4.186   1.291
  225   HG11  VAL  26          HG11      VAL  26  -2.577  -3.118   2.761
  226   HG12  VAL  26          HG12      VAL  26  -1.996  -3.195   1.098
  227   HG13  VAL  26          HG13      VAL  26  -1.375  -4.325   2.302
  228   HG21  VAL  26          HG21      VAL  26  -2.087  -6.284   0.836
  229   HG22  VAL  26          HG22      VAL  26  -2.606  -5.081  -0.346
  230   HG23  VAL  26          HG23      VAL  26  -3.740  -6.311   0.215
  231    H    ILE  27           H        ILE  27  -3.128  -5.491   5.304
  232    HA   ILE  27           HA       ILE  27  -5.475  -4.141   6.216
  233    HB   ILE  27           HB       ILE  27  -4.481  -4.356   8.458
  234   HG12  ILE  27          HG12      ILE  27  -2.132  -5.589   6.994
  235   HG13  ILE  27          HG13      ILE  27  -2.113  -4.034   7.816
  236   HG21  ILE  27          HG21      ILE  27  -5.781  -6.187   7.568
  237   HG22  ILE  27          HG22      ILE  27  -4.427  -6.833   8.497
  238   HG23  ILE  27          HG23      ILE  27  -4.367  -6.832   6.733
  239   HD11  ILE  27          HD11      ILE  27  -1.057  -5.739   9.167
  240   HD12  ILE  27          HD12      ILE  27  -2.520  -6.722   9.104
  241   HD13  ILE  27          HD13      ILE  27  -2.537  -5.170   9.942
  242    H    GLN  28           H        GLN  28  -2.251  -3.149   5.390
  243    HA   GLN  28           HA       GLN  28  -2.963  -0.391   6.014
  244    HB2  GLN  28           HB2      GLN  28  -0.634  -1.863   7.216
  245    HB3  GLN  28           HB3      GLN  28  -0.564  -0.124   6.963
  246    HG2  GLN  28           HG2      GLN  28  -2.649  -1.553   8.600
  247    HG3  GLN  28           HG3      GLN  28  -1.217  -0.751   9.249
  248   HE21  GLN  28          HE21      GLN  28  -4.355  -0.334   7.847
  249   HE22  GLN  28          HE22      GLN  28  -4.491   1.366   8.160
  250    H    VAL  29           H        VAL  29  -1.718   1.153   4.889
  251    HA   VAL  29           HA       VAL  29   0.088   0.072   2.828
  252    HB   VAL  29           HB       VAL  29  -1.536   2.612   2.615
  253   HG11  VAL  29          HG11      VAL  29   0.138   1.149   0.579
  254   HG12  VAL  29          HG12      VAL  29   0.528   2.687   1.344
  255   HG13  VAL  29          HG13      VAL  29  -0.852   2.570   0.254
  256   HG21  VAL  29          HG21      VAL  29  -2.028  -0.063   1.315
  257   HG22  VAL  29          HG22      VAL  29  -2.902   1.428   0.955
  258   HG23  VAL  29          HG23      VAL  29  -3.027   0.696   2.555
  259    H    GLU  30           H        GLU  30   2.127   0.613   3.260
  260    HA   GLU  30           HA       GLU  30   2.563   2.933   5.001
  261    HB2  GLU  30           HB2      GLU  30   4.745   1.838   5.548
  262    HB3  GLU  30           HB3      GLU  30   3.327   0.935   6.056
  263    HG2  GLU  30           HG2      GLU  30   3.606  -0.370   3.869
  264    HG3  GLU  30           HG3      GLU  30   5.217   0.355   3.807
  265    H    LEU  31           H        LEU  31   3.197   4.669   3.996
  266    HA   LEU  31           HA       LEU  31   4.396   4.543   1.383
  267    HB2  LEU  31           HB2      LEU  31   2.829   6.311   1.772
  268    HB3  LEU  31           HB3      LEU  31   3.695   6.846   3.200
  269    HG   LEU  31           HG       LEU  31   5.565   7.598   1.804
  270   HD11  LEU  31          HD11      LEU  31   3.853   6.759  -0.531
  271   HD12  LEU  31          HD12      LEU  31   5.331   5.956   0.001
  272   HD13  LEU  31          HD13      LEU  31   5.399   7.605  -0.619
  273   HD21  LEU  31          HD21      LEU  31   4.446   9.474   0.725
  274   HD22  LEU  31          HD22      LEU  31   3.752   9.153   2.315
  275   HD23  LEU  31          HD23      LEU  31   2.900   8.639   0.860
  276    H    GLN  32           H        GLN  32   6.441   3.934   1.269
  277    HA   GLN  32           HA       GLN  32   8.432   4.680   3.163
  278    HB2  GLN  32           HB2      GLN  32   8.886   2.713   1.923
  279    HB3  GLN  32           HB3      GLN  32   8.531   3.499   0.390
  280    HG2  GLN  32           HG2      GLN  32  10.532   4.845   0.591
  281    HG3  GLN  32           HG3      GLN  32  10.875   4.135   2.164
  282   HE21  GLN  32          HE21      GLN  32  12.895   3.517   1.321
  283   HE22  GLN  32          HE22      GLN  32  13.061   2.135   0.304
  284    H    GLU  33           H        GLU  33   8.749   6.773   3.457
  285    HA   GLU  33           HA       GLU  33   8.500   8.718   1.379
  286    HB2  GLU  33           HB2      GLU  33   9.683   8.974   4.152
  287    HB3  GLU  33           HB3      GLU  33   9.254  10.312   3.093
  288    HG2  GLU  33           HG2      GLU  33   6.910   9.607   3.174
  289    HG3  GLU  33           HG3      GLU  33   7.354   8.295   4.264
  290    H    ALA  34           H        ALA  34  10.208  10.100   0.597
  291    HA   ALA  34           HA       ALA  34  12.438   8.507  -0.236
  292    HB1  ALA  34           HB1      ALA  34  13.040  10.415  -1.611
  293    HB2  ALA  34           HB2      ALA  34  11.868  11.420  -0.757
  294    HB3  ALA  34           HB3      ALA  34  11.315  10.068  -1.746
  295    H    ASP  35           H        ASP  35  12.063   9.859   2.611
  296    HA   ASP  35           HA       ASP  35  14.836   9.960   3.207
  297    HB2  ASP  35           HB2      ASP  35  14.994  12.287   3.959
  298    HB3  ASP  35           HB3      ASP  35  14.620  12.224   2.243
  299    H    GLY  36           H        GLY  36  11.507  10.426   4.094
  300    HA2  GLY  36           HA2      GLY  36  11.785  10.637   6.875
  301    HA3  GLY  36           HA3      GLY  36  10.354  10.060   6.034
  302    H    ASP  37           H        ASP  37  11.035   7.730   4.940
  303    HA   ASP  37           HA       ASP  37  11.466   6.090   7.313
  304    HB2  ASP  37           HB2      ASP  37   9.542   5.801   5.587
  305    HB3  ASP  37           HB3      ASP  37  10.766   5.023   4.588
  306    H    CYS  38           H        CYS  38  12.777   6.654   4.121
  307    HA   CYS  38           HA       CYS  38  15.422   5.899   4.832
  308    HB2  CYS  38           HB2      CYS  38  14.315   3.641   4.518
  309    HB3  CYS  38           HB3      CYS  38  14.005   4.101   2.849
  310    H    HIS  39           H        HIS  39  16.790   5.969   2.622
  311    HA   HIS  39           HA       HIS  39  15.703   8.261   1.196
  312    HB2  HIS  39           HB2      HIS  39  18.165   7.990   2.015
  313    HB3  HIS  39           HB3      HIS  39  18.360   7.035   0.546
  314    HD1  HIS  39           HD1      HIS  39  17.681  10.523   1.734
  315    HD2  HIS  39           HD2      HIS  39  18.395   8.498  -1.828
  316    HE1  HIS  39           HE1      HIS  39  18.042  12.309   0.000
  317    HE2  HIS  39           HE2      HIS  39  18.290  11.067  -2.175
  318    H    LEU  40           H        LEU  40  14.007   7.064   0.257
  319    HA   LEU  40           HA       LEU  40  14.353   6.280  -2.409
  320    HB2  LEU  40           HB2      LEU  40  15.347   4.286  -1.003
  321    HB3  LEU  40           HB3      LEU  40  13.674   3.917  -0.663
  322    HG   LEU  40           HG       LEU  40  14.617   2.537  -2.470
  323   HD11  LEU  40          HD11      LEU  40  12.449   4.397  -3.411
  324   HD12  LEU  40          HD12      LEU  40  12.223   2.950  -2.429
  325   HD13  LEU  40          HD13      LEU  40  12.824   2.810  -4.082
  326   HD21  LEU  40          HD21      LEU  40  16.178   4.165  -3.386
  327   HD22  LEU  40          HD22      LEU  40  14.829   5.125  -3.993
  328   HD23  LEU  40          HD23      LEU  40  15.122   3.509  -4.635
  329    H    GLN  41           H        GLN  41  12.283   6.414  -3.332
  330    HA   GLN  41           HA       GLN  41  10.104   6.717  -1.380
  331    HB2  GLN  41           HB2      GLN  41  10.746   8.665  -2.889
  332    HB3  GLN  41           HB3      GLN  41  10.080   7.726  -4.217
  333    HG2  GLN  41           HG2      GLN  41   7.917   7.649  -3.037
  334    HG3  GLN  41           HG3      GLN  41   8.602   8.667  -1.772
  335   HE21  GLN  41          HE21      GLN  41   6.347   9.204  -3.486
  336   HE22  GLN  41          HE22      GLN  41   6.717  10.664  -4.344
  337    H    ALA  42           H        ALA  42   8.600   5.193  -1.301
  338    HA   ALA  42           HA       ALA  42   7.681   3.895  -3.723
  339    HB1  ALA  42           HB1      ALA  42   8.867   2.271  -1.477
  340    HB2  ALA  42           HB2      ALA  42   9.559   2.472  -3.089
  341    HB3  ALA  42           HB3      ALA  42   8.024   1.623  -2.885
  342    H    PHE  43           H        PHE  43   5.662   2.914  -3.508
  343    HA   PHE  43           HA       PHE  43   4.278   3.438  -0.972
  344    HB2  PHE  43           HB2      PHE  43   3.470   3.512  -3.781
  345    HB3  PHE  43           HB3      PHE  43   2.359   2.586  -2.776
  346    HD1  PHE  43           HD2      PHE  43   1.318   3.672  -0.791
  347    HD2  PHE  43           HD1      PHE  43   3.514   5.862  -3.703
  348    HE1  PHE  43           HE2      PHE  43   0.280   5.761   0.000
  349    HE2  PHE  43           HE1      PHE  43   2.478   7.954  -2.921
  350    HZ   PHE  43           HZ       PHE  43   0.859   7.904  -1.066
  351    H    VAL  44           H        VAL  44   4.414   1.755   0.344
  352    HA   VAL  44           HA       VAL  44   4.659  -0.905  -0.855
  353    HB   VAL  44           HB       VAL  44   5.558   0.126   1.835
  354   HG11  VAL  44          HG11      VAL  44   6.657  -2.042   2.122
  355   HG12  VAL  44          HG12      VAL  44   5.915  -2.615   0.629
  356   HG13  VAL  44          HG13      VAL  44   4.905  -2.216   2.018
  357   HG21  VAL  44          HG21      VAL  44   7.071  -0.693  -0.641
  358   HG22  VAL  44          HG22      VAL  44   7.807  -0.243   0.900
  359   HG23  VAL  44          HG23      VAL  44   6.882   0.947  -0.018
  360    H    LEU  45           H        LEU  45   3.217  -2.452  -0.457
  361    HA   LEU  45           HA       LEU  45   0.883  -1.742   1.136
  362    HB2  LEU  45           HB2      LEU  45   1.403  -3.963  -0.829
  363    HB3  LEU  45           HB3      LEU  45  -0.084  -3.820   0.095
  364    HG   LEU  45           HG       LEU  45   0.966  -1.816  -1.902
  365   HD11  LEU  45          HD11      LEU  45   0.042  -3.833  -2.923
  366   HD12  LEU  45          HD12      LEU  45  -0.984  -2.426  -3.209
  367   HD13  LEU  45          HD13      LEU  45  -1.443  -3.620  -1.993
  368   HD21  LEU  45          HD21      LEU  45  -0.162  -0.721  -0.045
  369   HD22  LEU  45          HD22      LEU  45  -1.554  -1.786  -0.248
  370   HD23  LEU  45          HD23      LEU  45  -1.133  -0.632  -1.515
  371    H    HIS  46           H        HIS  46   0.439  -2.580   3.045
  372    HA   HIS  46           HA       HIS  46   2.360  -4.555   4.086
  373    HB2  HIS  46           HB2      HIS  46   2.305  -2.244   5.111
  374    HB3  HIS  46           HB3      HIS  46   0.681  -2.613   5.679
  375    HD1  HIS  46           HD1      HIS  46   4.204  -2.966   6.529
  376    HD2  HIS  46           HD2      HIS  46   0.634  -4.806   7.611
  377    HE1  HIS  46           HE1      HIS  46   4.699  -4.220   8.657
  378    HE2  HIS  46           HE2      HIS  46   2.580  -5.480   9.181
  379    H    LEU  47           H        LEU  47   1.481  -6.527   4.041
  380    HA   LEU  47           HA       LEU  47  -1.318  -6.849   4.855
  381    HB2  LEU  47           HB2      LEU  47   0.637  -8.846   3.695
  382    HB3  LEU  47           HB3      LEU  47  -1.017  -9.212   4.138
  383    HG   LEU  47           HG       LEU  47  -1.656  -7.380   2.420
  384   HD11  LEU  47          HD11      LEU  47   0.592  -6.477   2.097
  385   HD12  LEU  47          HD12      LEU  47  -0.077  -7.097   0.587
  386   HD13  LEU  47          HD13      LEU  47   1.131  -8.034   1.467
  387   HD21  LEU  47          HD21      LEU  47  -1.636  -9.021   0.612
  388   HD22  LEU  47          HD22      LEU  47  -2.119  -9.756   2.142
  389   HD23  LEU  47          HD23      LEU  47  -0.488 -10.010   1.518
  390    H    ALA  48           H        ALA  48  -1.697  -8.797   6.340
  391    HA   ALA  48           HA       ALA  48  -0.339  -8.227   8.766
  392    HB1  ALA  48           HB1      ALA  48  -1.736  -9.935   9.757
  393    HB2  ALA  48           HB2      ALA  48  -2.176 -10.537   8.158
  394    HB3  ALA  48           HB3      ALA  48  -2.693  -8.929   8.668
  395    H    GLN  49           H        GLN  49   0.499 -10.243   6.202
  396    HA   GLN  49           HA       GLN  49   2.119 -11.981   7.920
  397    HB2  GLN  49           HB2      GLN  49   2.027 -12.346   4.959
  398    HB3  GLN  49           HB3      GLN  49   2.189 -13.551   6.224
  399    HG2  GLN  49           HG2      GLN  49   0.088 -13.982   5.396
  400    HG3  GLN  49           HG3      GLN  49  -0.269 -12.941   6.775
  401   HE21  GLN  49          HE21      GLN  49  -2.226 -12.286   5.891
  402   HE22  GLN  49          HE22      GLN  49  -2.295 -11.165   4.572
  403    H    ARG  50           H        ARG  50   2.332  -9.815   5.123
  404    HA   ARG  50           HA       ARG  50   4.996  -9.022   5.745
  405    HB2  ARG  50           HB2      ARG  50   5.780  -9.879   3.366
  406    HB3  ARG  50           HB3      ARG  50   5.912 -10.893   4.791
  407    HG2  ARG  50           HG2      ARG  50   5.063 -12.207   2.983
  408    HG3  ARG  50           HG3      ARG  50   3.778 -11.982   4.169
  409    HD2  ARG  50           HD2      ARG  50   2.874 -10.152   2.765
  410    HD3  ARG  50           HD3      ARG  50   4.107 -10.512   1.557
  411    HE   ARG  50           HE       ARG  50   2.397 -12.735   2.329
  412   HH11  ARG  50          HH11      ARG  50   3.032 -10.150   0.060
  413   HH12  ARG  50          HH12      ARG  50   2.036 -10.825  -1.189
  414   HH21  ARG  50          HH21      ARG  50   1.064 -13.629   0.670
  415   HH22  ARG  50          HH22      ARG  50   0.934 -12.786  -0.850
  416    H    SER  51           H        SER  51   5.922  -7.705   3.804
  417    HA   SER  51           HA       SER  51   3.707  -6.105   2.710
  418    HB2  SER  51           HB2      SER  51   6.519  -5.227   3.419
  419    HB3  SER  51           HB3      SER  51   5.251  -4.189   2.773
  420    HG   SER  51           HG       SER  51   4.921  -3.856   4.834
  421    H    ILE  52           H        ILE  52   4.060  -5.079   0.655
  422    HA   ILE  52           HA       ILE  52   6.090  -6.385  -1.043
  423    HB   ILE  52           HB       ILE  52   3.263  -5.681  -1.879
  424   HG12  ILE  52          HG12      ILE  52   4.572  -8.383  -1.494
  425   HG13  ILE  52          HG13      ILE  52   3.364  -7.671  -0.428
  426   HG21  ILE  52          HG21      ILE  52   3.847  -6.819  -3.988
  427   HG22  ILE  52          HG22      ILE  52   5.511  -6.976  -3.420
  428   HG23  ILE  52          HG23      ILE  52   4.823  -5.378  -3.705
  429   HD11  ILE  52          HD11      ILE  52   1.720  -7.751  -2.214
  430   HD12  ILE  52          HD12      ILE  52   2.403  -9.350  -1.913
  431   HD13  ILE  52          HD13      ILE  52   2.930  -8.414  -3.313
  432    H    CYS  53           H        CYS  53   7.058  -5.031  -2.612
  433    HA   CYS  53           HA       CYS  53   6.818  -2.200  -1.874
  434    HB2  CYS  53           HB2      CYS  53   9.068  -3.552  -3.375
  435    HB3  CYS  53           HB3      CYS  53   9.087  -1.949  -2.647
  436    H    ILE  54           H        ILE  54   5.922  -0.833  -3.231
  437    HA   ILE  54           HA       ILE  54   5.786  -1.525  -6.087
  438    HB   ILE  54           HB       ILE  54   3.588  -0.585  -4.254
  439   HG12  ILE  54          HG12      ILE  54   3.807  -2.866  -6.225
  440   HG13  ILE  54          HG13      ILE  54   3.876  -2.993  -4.471
  441   HG21  ILE  54          HG21      ILE  54   2.160  -0.229  -6.188
  442   HG22  ILE  54          HG22      ILE  54   3.531  -0.521  -7.260
  443   HG23  ILE  54          HG23      ILE  54   3.535   0.878  -6.183
  444   HD11  ILE  54          HD11      ILE  54   1.709  -3.672  -5.360
  445   HD12  ILE  54          HD12      ILE  54   1.494  -2.066  -6.060
  446   HD13  ILE  54          HD13      ILE  54   1.569  -2.266  -4.309
  447    H    HIS  55           H        HIS  55   6.045   0.123  -7.524
  448    HA   HIS  55           HA       HIS  55   7.215   2.580  -6.786
  449    HB2  HIS  55           HB2      HIS  55   7.506   1.527  -9.006
  450    HB3  HIS  55           HB3      HIS  55   5.797   1.789  -9.354
  451    HD1  HIS  55           HD1      HIS  55   5.236   3.916 -10.541
  452    HD2  HIS  55           HD2      HIS  55   8.991   4.044  -8.751
  453    HE1  HIS  55           HE1      HIS  55   6.283   6.072 -11.308
  454    HE2  HIS  55           HE2      HIS  55   8.482   6.209 -10.084
  455    HA   PRO  56           HA       PRO  56   3.748   4.830  -5.150
  456    HB2  PRO  56           HB2      PRO  56   5.052   7.061  -6.664
  457    HB3  PRO  56           HB3      PRO  56   4.430   7.041  -5.008
  458    HG2  PRO  56           HG2      PRO  56   7.035   6.831  -5.441
  459    HG3  PRO  56           HG3      PRO  56   6.254   5.835  -4.197
  460    HD2  PRO  56           HD2      PRO  56   7.247   5.063  -6.900
  461    HD3  PRO  56           HD3      PRO  56   7.197   4.113  -5.403
  462    H    GLN  57           H        GLN  57   4.612   5.998  -8.414
  463    HA   GLN  57           HA       GLN  57   1.801   6.081  -9.093
  464    HB2  GLN  57           HB2      GLN  57   4.238   6.690 -10.772
  465    HB3  GLN  57           HB3      GLN  57   2.570   6.937 -11.278
  466    HG2  GLN  57           HG2      GLN  57   3.936   8.294  -8.966
  467    HG3  GLN  57           HG3      GLN  57   3.591   9.015 -10.538
  468   HE21  GLN  57          HE21      GLN  57   2.726   9.662  -7.765
  469   HE22  GLN  57          HE22      GLN  57   0.998   9.739  -7.845
  470    H    ASN  58           H        ASN  58   1.460   3.835  -8.742
  471    HA   ASN  58           HA       ASN  58   1.926   2.330 -11.222
  472    HB2  ASN  58           HB2      ASN  58   3.275   1.660  -8.974
  473    HB3  ASN  58           HB3      ASN  58   1.783   0.755  -8.705
  474   HD21  ASN  58          HD21      ASN  58   1.332  -1.003  -9.970
  475   HD22  ASN  58          HD22      ASN  58   2.440  -1.646 -11.132
  476    HA   PRO  59           HA       PRO  59  -2.485   2.178 -11.234
  477    HB2  PRO  59           HB2      PRO  59  -2.112  -0.396 -12.665
  478    HB3  PRO  59           HB3      PRO  59  -2.997   1.049 -13.160
  479    HG2  PRO  59           HG2      PRO  59  -0.652   0.448 -14.266
  480    HG3  PRO  59           HG3      PRO  59  -1.084   2.131 -13.899
  481    HD2  PRO  59           HD2      PRO  59   0.738   0.274 -12.422
  482    HD3  PRO  59           HD3      PRO  59   0.922   2.009 -12.751
  483    H    SER  60           H        SER  60  -0.529  -0.070  -9.692
  484    HA   SER  60           HA       SER  60  -2.653  -1.791  -8.764
  485    HB2  SER  60           HB2      SER  60  -0.734  -2.746  -7.374
  486    HB3  SER  60           HB3      SER  60  -0.558  -2.850  -9.128
  487    HG   SER  60           HG       SER  60   1.017  -1.598  -7.345
  488    H    LEU  61           H        LEU  61  -0.579   0.783  -7.492
  489    HA   LEU  61           HA       LEU  61  -1.614   0.513  -4.817
  490    HB2  LEU  61           HB2      LEU  61   0.737   1.389  -5.783
  491    HB3  LEU  61           HB3      LEU  61  -0.083   2.927  -5.623
  492    HG   LEU  61           HG       LEU  61   1.237   2.559  -3.660
  493   HD11  LEU  61          HD11      LEU  61  -1.654   2.042  -2.999
  494   HD12  LEU  61          HD12      LEU  61  -0.923   3.619  -3.291
  495   HD13  LEU  61          HD13      LEU  61  -0.424   2.661  -1.898
  496   HD21  LEU  61          HD21      LEU  61   1.462   0.141  -3.810
  497   HD22  LEU  61          HD22      LEU  61  -0.222  -0.055  -3.325
  498   HD23  LEU  61          HD23      LEU  61   0.947   0.637  -2.197
  499    H    SER  62           H        SER  62  -2.010   2.768  -7.518
  500    HA   SER  62           HA       SER  62  -3.520   4.657  -6.036
  501    HB2  SER  62           HB2      SER  62  -3.509   4.264  -9.036
  502    HB3  SER  62           HB3      SER  62  -3.887   5.746  -8.153
  503    HG   SER  62           HG       SER  62  -1.738   5.736  -8.989
  504    H    GLN  63           H        GLN  63  -4.384   2.185  -8.401
  505    HA   GLN  63           HA       GLN  63  -7.162   2.406  -8.209
  506    HB2  GLN  63           HB2      GLN  63  -6.028   1.097  -9.945
  507    HB3  GLN  63           HB3      GLN  63  -5.454  -0.034  -8.724
  508    HG2  GLN  63           HG2      GLN  63  -7.732  -0.684  -8.232
  509    HG3  GLN  63           HG3      GLN  63  -8.331   0.477  -9.410
  510   HE21  GLN  63          HE21      GLN  63  -5.463  -1.424  -9.970
  511   HE22  GLN  63          HE22      GLN  63  -6.135  -2.443 -11.198
  512    H    TRP  64           H        TRP  64  -4.765   0.966  -6.147
  513    HA   TRP  64           HA       TRP  64  -6.496  -0.570  -4.553
  514    HB2  TRP  64           HB2      TRP  64  -4.035  -0.876  -4.549
  515    HB3  TRP  64           HB3      TRP  64  -3.870   0.677  -3.748
  516    HD1  TRP  64           HD1      TRP  64  -3.028   0.009  -1.391
  517    HE1  TRP  64           HE1      TRP  64  -3.962  -1.434   0.515
  518    HE3  TRP  64           HE3      TRP  64  -6.978  -2.176  -3.837
  519    HZ2  TRP  64           HZ2      TRP  64  -6.080  -3.227   0.940
  520    HZ3  TRP  64           HZ3      TRP  64  -8.404  -3.720  -2.594
  521    HH2  TRP  64           HH2      TRP  64  -7.967  -4.241  -0.256
  522    H    PHE  65           H        PHE  65  -5.391   2.776  -4.328
  523    HA   PHE  65           HA       PHE  65  -6.447   3.440  -1.861
  524    HB2  PHE  65           HB2      PHE  65  -5.831   4.945  -4.331
  525    HB3  PHE  65           HB3      PHE  65  -6.928   5.735  -3.204
  526    HD1  PHE  65           HD1      PHE  65  -3.878   3.625  -2.710
  527    HD2  PHE  65           HD2      PHE  65  -5.810   7.359  -2.057
  528    HE1  PHE  65           HE1      PHE  65  -1.963   4.378  -1.360
  529    HE2  PHE  65           HE2      PHE  65  -3.899   8.117  -0.709
  530    HZ   PHE  65           HZ       PHE  65  -1.970   6.629  -0.359
  531    H    GLU  66           H        GLU  66  -8.117   3.244  -4.982
  532    HA   GLU  66           HA       GLU  66 -10.630   4.082  -3.873
  533    HB2  GLU  66           HB2      GLU  66 -10.054   2.622  -6.455
  534    HB3  GLU  66           HB3      GLU  66 -11.588   3.363  -6.023
  535    HG2  GLU  66           HG2      GLU  66 -10.403   5.557  -5.901
  536    HG3  GLU  66           HG3      GLU  66  -8.972   4.751  -6.539
  537    H    HIS  67           H        HIS  67  -9.194   0.959  -4.760
  538    HA   HIS  67           HA       HIS  67 -11.488  -0.589  -4.202
  539    HB2  HIS  67           HB2      HIS  67  -8.575  -1.278  -4.479
  540    HB3  HIS  67           HB3      HIS  67  -9.751  -2.499  -4.006
  541    HD1  HIS  67           HD1      HIS  67  -9.660  -3.897  -6.142
  542    HD2  HIS  67           HD2      HIS  67 -10.469   0.139  -6.831
  543    HE1  HIS  67           HE1      HIS  67 -10.290  -3.721  -8.572
  544    HE2  HIS  67           HE2      HIS  67 -10.594  -1.257  -8.999
  545    H    GLN  68           H        GLN  68  -8.706   0.292  -2.175
  546    HA   GLN  68           HA       GLN  68  -9.506  -1.350   0.015
  547    HB2  GLN  68           HB2      GLN  68  -7.802  -0.231   1.292
  548    HB3  GLN  68           HB3      GLN  68  -7.176  -0.536  -0.323
  549    HG2  GLN  68           HG2      GLN  68  -7.640   1.789  -0.934
  550    HG3  GLN  68           HG3      GLN  68  -8.233   2.091   0.699
  551   HE21  GLN  68          HE21      GLN  68  -6.188   0.356   1.884
  552   HE22  GLN  68          HE22      GLN  68  -4.717   1.255   1.818
  553    H    GLU  69           H        GLU  69 -10.345   1.813  -1.083
  554    HA   GLU  69           HA       GLU  69 -11.412   2.885   1.284
  555    HB2  GLU  69           HB2      GLU  69 -11.038   4.188  -0.787
  556    HB3  GLU  69           HB3      GLU  69 -12.342   3.308  -1.568
  557    HG2  GLU  69           HG2      GLU  69 -13.141   5.460  -0.894
  558    HG3  GLU  69           HG3      GLU  69 -13.914   4.229   0.103
  559    H    ARG  70           H        ARG  70 -12.605   0.519  -0.992
  560    HA   ARG  70           HA       ARG  70 -15.072   0.360   0.596
  561    HB2  ARG  70           HB2      ARG  70 -16.157  -0.638  -1.370
  562    HB3  ARG  70           HB3      ARG  70 -15.549   0.980  -1.681
  563    HG2  ARG  70           HG2      ARG  70 -13.528  -0.115  -2.720
  564    HG3  ARG  70           HG3      ARG  70 -14.424  -1.635  -2.631
  565    HD2  ARG  70           HD2      ARG  70 -16.298  -0.395  -3.845
  566    HD3  ARG  70           HD3      ARG  70 -15.096   0.848  -4.184
  567    HE   ARG  70           HE       ARG  70 -14.594  -1.939  -4.974
  568   HH11  ARG  70          HH11      ARG  70 -15.016   1.442  -5.830
  569   HH12  ARG  70          HH12      ARG  70 -14.644   1.190  -7.515
  570   HH21  ARG  70          HH21      ARG  70 -14.158  -2.279  -7.188
  571   HH22  ARG  70          HH22      ARG  70 -14.169  -0.928  -8.289
  572    H    LYS  71           H        LYS  71 -12.264  -1.042   0.702
  573    HA   LYS  71           HA       LYS  71 -13.448  -3.655   1.398
  574    HB2  LYS  71           HB2      LYS  71 -10.669  -3.146   0.318
  575    HB3  LYS  71           HB3      LYS  71 -11.251  -4.692   0.911
  576    HG2  LYS  71           HG2      LYS  71 -12.914  -4.765  -0.857
  577    HG3  LYS  71           HG3      LYS  71 -12.344  -3.200  -1.453
  578    HD2  LYS  71           HD2      LYS  71 -10.064  -4.269  -1.655
  579    HD3  LYS  71           HD3      LYS  71 -10.868  -5.817  -1.382
  580    HE2  LYS  71           HE2      LYS  71 -11.689  -3.886  -3.523
  581    HE3  LYS  71           HE3      LYS  71 -10.502  -5.167  -3.791
  582    HZ1  LYS  71           HZ1      LYS  71 -12.189  -6.800  -3.170
  583    HZ2  LYS  71           HZ2      LYS  71 -12.701  -5.865  -4.488
  584    HZ3  LYS  71           HZ3      LYS  71 -13.332  -5.563  -2.948
  585    H    LEU  72           H        LEU  72 -11.008  -4.636   2.623
  586    HA   LEU  72           HA       LEU  72 -10.061  -4.725   4.672
  587    HB2  LEU  72           HB2      LEU  72  -9.988  -1.773   4.138
  588    HB3  LEU  72           HB3      LEU  72  -9.382  -2.426   5.645
  589    HG   LEU  72           HG       LEU  72  -7.660  -3.658   4.510
  590   HD11  LEU  72          HD11      LEU  72  -8.875  -2.675   1.932
  591   HD12  LEU  72          HD12      LEU  72  -8.901  -4.337   2.521
  592   HD13  LEU  72          HD13      LEU  72  -7.370  -3.579   2.090
  593   HD21  LEU  72          HD21      LEU  72  -7.181  -1.336   4.976
  594   HD22  LEU  72          HD22      LEU  72  -7.905  -0.858   3.440
  595   HD23  LEU  72          HD23      LEU  72  -6.426  -1.817   3.455
  596    H    HIS  73           H        HIS  73 -11.531  -1.653   5.430
  597    HA   HIS  73           HA       HIS  73 -13.673  -2.791   6.990
  598    HB2  HIS  73           HB2      HIS  73 -11.644  -3.067   8.434
  599    HB3  HIS  73           HB3      HIS  73 -11.422  -1.328   8.400
  600    HD1  HIS  73           HD1      HIS  73 -12.338  -0.176  10.367
  601    HD2  HIS  73           HD2      HIS  73 -14.364  -3.721   9.586
  602    HE1  HIS  73           HE1      HIS  73 -14.038  -0.402  12.205
  603    HE2  HIS  73           HE2      HIS  73 -15.106  -2.654  11.829
  604    H    GLY  74           H        GLY  74 -12.434  -0.465   5.073
  605    HA2  GLY  74           HA2      GLY  74 -13.184   1.618   4.442
  606    HA3  GLY  74           HA3      GLY  74 -14.504   1.431   5.588
  607    H    THR  75           H        THR  75 -11.418   0.965   6.929
  608    HA   THR  75           HA       THR  75 -11.369   3.717   7.964
  609    HB   THR  75           HB       THR  75 -10.495   2.712  10.111
  610    HG1  THR  75           HG1      THR  75  -9.978   0.644   9.730
  611   HG21  THR  75          HG21      THR  75 -12.820   3.497   9.890
  612   HG22  THR  75          HG22      THR  75 -12.697   2.101  10.963
  613   HG23  THR  75          HG23      THR  75 -13.290   1.895   9.314
  614    H    LEU  76           H        LEU  76  -9.458   4.730   7.597
  615    HA   LEU  76           HA       LEU  76  -7.005   3.199   7.610
  616    HB2  LEU  76           HB2      LEU  76  -7.952   4.833   5.259
  617    HB3  LEU  76           HB3      LEU  76  -6.295   4.317   5.477
  618    HG   LEU  76           HG       LEU  76  -8.583   2.366   5.308
  619   HD11  LEU  76          HD11      LEU  76  -6.809   3.385   3.090
  620   HD12  LEU  76          HD12      LEU  76  -8.542   3.672   3.254
  621   HD13  LEU  76          HD13      LEU  76  -7.942   2.040   2.964
  622   HD21  LEU  76          HD21      LEU  76  -6.539   1.540   6.332
  623   HD22  LEU  76          HD22      LEU  76  -5.600   2.098   4.949
  624   HD23  LEU  76          HD23      LEU  76  -6.779   0.801   4.749
  625    HA   PRO  77           HA       PRO  77  -5.068   6.767   9.465
  626    HB2  PRO  77           HB2      PRO  77  -3.311   6.286   7.166
  627    HB3  PRO  77           HB3      PRO  77  -2.845   6.658   8.823
  628    HG2  PRO  77           HG2      PRO  77  -2.676   4.180   7.982
  629    HG3  PRO  77           HG3      PRO  77  -3.438   4.496   9.556
  630    HD2  PRO  77           HD2      PRO  77  -4.703   3.808   6.941
  631    HD3  PRO  77           HD3      PRO  77  -5.184   3.350   8.591
  632    H    LYS  78           H        LYS  78  -5.098   8.953   9.140
  633    HA   LYS  78           HA       LYS  78  -6.016   9.902   6.534
  634    HB2  LYS  78           HB2      LYS  78  -5.680  11.397   9.146
  635    HB3  LYS  78           HB3      LYS  78  -6.384  12.057   7.677
  636    HG2  LYS  78           HG2      LYS  78  -7.490   9.833   9.381
  637    HG3  LYS  78           HG3      LYS  78  -8.157  11.453   9.164
  638    HD2  LYS  78           HD2      LYS  78  -8.589  10.987   6.818
  639    HD3  LYS  78           HD3      LYS  78  -7.857   9.391   6.980
  640    HE2  LYS  78           HE2      LYS  78 -10.197   9.067   7.054
  641    HE3  LYS  78           HE3      LYS  78  -9.617   8.887   8.708
  642    HZ1  LYS  78           HZ1      LYS  78 -10.877  11.325   7.572
  643    HZ2  LYS  78           HZ2      LYS  78 -10.334  11.154   9.167
  644    HZ3  LYS  78           HZ3      LYS  78 -11.630  10.214   8.603
  645    H    LEU  79           H        LEU  79  -3.757   9.070   5.937
  646    HA   LEU  79           HA       LEU  79  -1.555  10.793   6.655
  647    HB2  LEU  79           HB2      LEU  79  -0.268   9.234   5.130
  648    HB3  LEU  79           HB3      LEU  79  -0.968   8.540   6.577
  649    HG   LEU  79           HG       LEU  79  -2.934   7.879   4.968
  650   HD11  LEU  79          HD11      LEU  79  -2.104   9.105   3.024
  651   HD12  LEU  79          HD12      LEU  79  -2.211   7.373   2.710
  652   HD13  LEU  79          HD13      LEU  79  -0.645   8.117   3.028
  653   HD21  LEU  79          HD21      LEU  79  -0.276   6.476   4.916
  654   HD22  LEU  79          HD22      LEU  79  -1.847   5.753   4.570
  655   HD23  LEU  79          HD23      LEU  79  -1.487   6.345   6.192
  656    H    ASN  80           H        ASN  80  -3.671  12.011   5.173
  657    HA   ASN  80           HA       ASN  80  -3.976  13.526   3.502
  658    HB2  ASN  80           HB2      ASN  80  -1.029  13.162   2.899
  659    HB3  ASN  80           HB3      ASN  80  -2.046  14.490   2.360
  660   HD21  ASN  80          HD21      ASN  80  -3.411  14.786   4.907
  661   HD22  ASN  80          HD22      ASN  80  -2.261  15.484   5.995
  662    H    PHE  81           H        PHE  81  -4.386  10.751   3.087
  663    HA   PHE  81           HA       PHE  81  -3.265   9.727   0.750
  664    HB2  PHE  81           HB2      PHE  81  -5.233   8.189   0.730
  665    HB3  PHE  81           HB3      PHE  81  -4.374   8.249   2.259
  666    HD1  PHE  81           HD1      PHE  81  -7.429   9.335   0.499
  667    HD2  PHE  81           HD2      PHE  81  -5.439   8.942   4.240
  668    HE1  PHE  81           HE1      PHE  81  -9.540   9.817   1.666
  669    HE2  PHE  81           HE2      PHE  81  -7.545   9.427   5.412
  670    HZ   PHE  81           HZ       PHE  81  -9.600   9.865   4.127
  671    H    GLY  82           H        GLY  82  -5.692  12.129   1.154
  672    HA2  GLY  82           HA2      GLY  82  -7.040  11.921  -1.300
  673    HA3  GLY  82           HA3      GLY  82  -6.842  13.396  -0.366
  674    H    MET  83           H        MET  83  -3.839  13.025  -0.562
  675    HA   MET  83           HA       MET  83  -3.435  14.772  -2.733
  676    HB2  MET  83           HB2      MET  83  -1.095  14.640  -2.237
  677    HB3  MET  83           HB3      MET  83  -1.957  14.586  -0.706
  678    HG2  MET  83           HG2      MET  83  -1.705  12.132  -0.691
  679    HG3  MET  83           HG3      MET  83  -0.768  12.243  -2.176
  680    HE1  MET  83           HE1      MET  83   0.250  10.755   0.454
  681    HE2  MET  83           HE2      MET  83   1.933  11.291   0.466
  682    HE3  MET  83           HE3      MET  83   1.154  10.861  -1.057
  683    H    LEU  84           H        LEU  84  -3.489  11.347  -2.532
  684    HA   LEU  84           HA       LEU  84  -2.021  11.067  -5.044
  685    HB2  LEU  84           HB2      LEU  84  -1.473   9.650  -3.032
  686    HB3  LEU  84           HB3      LEU  84  -3.027   8.866  -3.252
  687    HG   LEU  84           HG       LEU  84  -2.300   8.161  -5.528
  688   HD11  LEU  84          HD11      LEU  84  -0.638   9.878  -5.948
  689   HD12  LEU  84          HD12      LEU  84   0.090   8.274  -6.065
  690   HD13  LEU  84          HD13      LEU  84   0.359   9.263  -4.628
  691   HD21  LEU  84          HD21      LEU  84  -0.830   6.387  -4.771
  692   HD22  LEU  84          HD22      LEU  84  -2.116   6.661  -3.597
  693   HD23  LEU  84          HD23      LEU  84  -0.492   7.273  -3.285
  694    H    ARG  85           H        ARG  85  -5.209  10.537  -3.646
  695    HA   ARG  85           HA       ARG  85  -6.136   9.228  -6.031
  696    HB2  ARG  85           HB2      ARG  85  -8.349   9.182  -4.871
  697    HB3  ARG  85           HB3      ARG  85  -7.052   8.351  -4.021
  698    HG2  ARG  85           HG2      ARG  85  -6.809  10.132  -2.484
  699    HG3  ARG  85           HG3      ARG  85  -7.882  11.167  -3.425
  700    HD2  ARG  85           HD2      ARG  85  -9.022  10.262  -1.458
  701    HD3  ARG  85           HD3      ARG  85  -9.756   9.688  -2.951
  702    HE   ARG  85           HE       ARG  85  -7.944   7.748  -2.237
  703   HH11  ARG  85          HH11      ARG  85 -10.728   9.263  -0.749
  704   HH12  ARG  85          HH12      ARG  85 -11.190   7.831   0.137
  705   HH21  ARG  85          HH21      ARG  85  -8.570   5.857  -1.041
  706   HH22  ARG  85          HH22      ARG  85  -9.977   5.932  -0.025
  707    H    LYS  86           H        LYS  86  -5.183  11.834  -6.296
  708    HA   LYS  86           HA       LYS  86  -7.587  13.184  -7.333
  709    HB2  LYS  86           HB2      LYS  86  -4.759  14.250  -7.093
  710    HB3  LYS  86           HB3      LYS  86  -6.148  15.150  -7.683
  711    HG2  LYS  86           HG2      LYS  86  -5.722  14.123  -4.892
  712    HG3  LYS  86           HG3      LYS  86  -5.661  15.800  -5.427
  713    HD2  LYS  86           HD2      LYS  86  -8.033  15.701  -6.017
  714    HD3  LYS  86           HD3      LYS  86  -8.094  14.015  -5.498
  715    HE2  LYS  86           HE2      LYS  86  -7.394  14.744  -3.237
  716    HE3  LYS  86           HE3      LYS  86  -7.487  16.415  -3.781
  717    HZ1  LYS  86           HZ1      LYS  86  -9.852  16.070  -4.245
  718    HZ2  LYS  86           HZ2      LYS  86  -9.481  15.796  -2.609
  719    HZ3  LYS  86           HZ3      LYS  86  -9.741  14.486  -3.650
  720    H    MET  87           H        MET  87  -5.095  11.145  -8.061
  721    HA   MET  87           HA       MET  87  -4.045  10.366  -9.898
  722    HB2  MET  87           HB2      MET  87  -6.540  11.396 -11.248
  723    HB3  MET  87           HB3      MET  87  -5.331  10.395 -12.039
  724    HG2  MET  87           HG2      MET  87  -6.862   9.565  -9.587
  725    HG3  MET  87           HG3      MET  87  -7.343   9.170 -11.235
  726    HE1  MET  87           HE1      MET  87  -5.159   8.235  -8.201
  727    HE2  MET  87           HE2      MET  87  -3.948   9.117  -9.130
  728    HE3  MET  87           HE3      MET  87  -3.792   7.375  -8.906
  729    H    GLY  88           H        GLY  88  -2.348  11.828  -9.653
  730    HA2  GLY  88           HA2      GLY  88  -1.864  13.481 -11.928
  731    HA3  GLY  88           HA3      GLY  88  -2.163  14.436 -10.481
  Start of MODEL   11
    1    H1   PHE   1           HT1      PHE   1  15.102 -12.923   2.622
    2    H2   PHE   1           HT2      PHE   1  16.650 -12.333   2.236
    3    H3   PHE   1           HT3      PHE   1  15.311 -11.888   1.293
    4    HA   PHE   1           HA       PHE   1  15.614 -11.230   4.161
    5    HB2  PHE   1           HB2      PHE   1  16.087  -8.913   3.392
    6    HB3  PHE   1           HB3      PHE   1  17.352 -10.057   2.963
    7    HD1  PHE   1           HD1      PHE   1  17.645 -10.761   0.627
    8    HD2  PHE   1           HD2      PHE   1  14.817  -7.776   1.731
    9    HE1  PHE   1           HE1      PHE   1  17.511 -10.028  -1.715
   10    HE2  PHE   1           HE2      PHE   1  14.675  -7.040  -0.612
   11    HZ   PHE   1           HZ       PHE   1  16.024  -8.166  -2.340
   12    H    LEU   2           H        LEU   2  13.936 -10.283   5.071
   13    HA   LEU   2           HA       LEU   2  11.646  -9.577   3.354
   14    HB2  LEU   2           HB2      LEU   2  10.164 -10.219   5.188
   15    HB3  LEU   2           HB3      LEU   2  11.154 -11.569   4.673
   16    HG   LEU   2           HG       LEU   2  12.666 -10.633   6.709
   17   HD11  LEU   2          HD11      LEU   2  11.124  -8.887   7.338
   18   HD12  LEU   2          HD12      LEU   2  11.174 -10.123   8.594
   19   HD13  LEU   2          HD13      LEU   2   9.811 -10.058   7.478
   20   HD21  LEU   2          HD21      LEU   2  11.976 -12.938   6.372
   21   HD22  LEU   2          HD22      LEU   2  10.345 -12.546   6.915
   22   HD23  LEU   2          HD23      LEU   2  11.697 -12.448   8.043
   23    H    LEU   3           H        LEU   3  10.560  -7.669   3.858
   24    HA   LEU   3           HA       LEU   3  12.147  -5.704   5.183
   25    HB2  LEU   3           HB2      LEU   3   9.429  -5.650   3.901
   26    HB3  LEU   3           HB3      LEU   3  10.016  -4.280   4.820
   27    HG   LEU   3           HG       LEU   3  10.422  -3.856   2.501
   28   HD11  LEU   3          HD11      LEU   3  12.136  -3.074   4.014
   29   HD12  LEU   3          HD12      LEU   3  12.861  -3.573   2.485
   30   HD13  LEU   3          HD13      LEU   3  12.980  -4.618   3.903
   31   HD21  LEU   3          HD21      LEU   3  10.366  -6.144   1.663
   32   HD22  LEU   3          HD22      LEU   3  11.917  -6.477   2.435
   33   HD23  LEU   3          HD23      LEU   3  11.820  -5.311   1.116
   34    HA   PRO   4           HA       PRO   4  10.651  -6.781   9.271
   35    HB2  PRO   4           HB2      PRO   4  12.103  -4.268   9.901
   36    HB3  PRO   4           HB3      PRO   4  12.256  -5.870  10.629
   37    HG2  PRO   4           HG2      PRO   4  14.124  -4.931   8.973
   38    HG3  PRO   4           HG3      PRO   4  13.662  -6.642   8.960
   39    HD2  PRO   4           HD2      PRO   4  12.926  -4.466   7.052
   40    HD3  PRO   4           HD3      PRO   4  13.291  -6.179   6.731
   41    HA   PRO   5           HA       PRO   5   6.990  -4.343   9.610
   42    HB2  PRO   5           HB2      PRO   5   7.468  -4.502  12.544
   43    HB3  PRO   5           HB3      PRO   5   6.030  -4.936  11.612
   44    HG2  PRO   5           HG2      PRO   5   7.640  -6.826  12.578
   45    HG3  PRO   5           HG3      PRO   5   6.902  -6.991  10.974
   46    HD2  PRO   5           HD2      PRO   5   9.700  -6.269  11.711
   47    HD3  PRO   5           HD3      PRO   5   9.104  -7.244  10.352
   48    H    SER   6           H        SER   6   6.782  -2.245   9.345
   49    HA   SER   6           HA       SER   6   6.916  -0.002   9.590
   50    HB2  SER   6           HB2      SER   6   8.085  -0.533  12.327
   51    HB3  SER   6           HB3      SER   6   7.252   0.923  11.780
   52    HG   SER   6           HG       SER   6   5.362  -0.072  11.933
   53    H    THR   7           H        THR   7   9.247  -1.647   8.633
   54    HA   THR   7           HA       THR   7  11.297   0.441   8.988
   55    HB   THR   7           HB       THR   7  11.820  -2.411   8.124
   56    HG1  THR   7           HG1      THR   7  10.980  -1.861  10.425
   57   HG21  THR   7          HG21      THR   7  13.529  -0.773   7.484
   58   HG22  THR   7          HG22      THR   7  14.135  -1.876   8.721
   59   HG23  THR   7          HG23      THR   7  13.646  -0.238   9.161
   60    H    ALA   8           H        ALA   8  10.409   1.719   7.332
   61    HA   ALA   8           HA       ALA   8   9.995   0.506   4.722
   62    HB1  ALA   8           HB1      ALA   8   9.459   3.321   5.640
   63    HB2  ALA   8           HB2      ALA   8   8.287   2.004   5.625
   64    HB3  ALA   8           HB3      ALA   8   8.955   2.609   4.109
   65    H    CYS   9           H        CYS   9  12.145   0.092   4.139
   66    HA   CYS   9           HA       CYS   9  13.166   2.327   2.615
   67    HB2  CYS   9           HB2      CYS   9  14.470   2.305   4.796
   68    HB3  CYS   9           HB3      CYS   9  15.104   0.738   4.304
   69    H    CYS  10           H        CYS  10  11.921   0.822   1.283
   70    HA   CYS  10           HA       CYS  10  13.238  -1.665   0.547
   71    HB2  CYS  10           HB2      CYS  10  10.855  -1.786   0.769
   72    HB3  CYS  10           HB3      CYS  10  10.629  -0.357  -0.232
   73    H    THR  11           H        THR  11  14.330  -1.973  -1.337
   74    HA   THR  11           HA       THR  11  14.433   0.294  -3.193
   75    HB   THR  11           HB       THR  11  16.711  -0.723  -3.840
   76    HG1  THR  11           HG1      THR  11  17.409  -1.649  -1.518
   77   HG21  THR  11          HG21      THR  11  16.477   1.404  -2.672
   78   HG22  THR  11          HG22      THR  11  17.836   0.489  -2.017
   79   HG23  THR  11          HG23      THR  11  16.311   0.557  -1.133
   80    H    GLN  12           H        GLN  12  14.195  -3.200  -2.938
   81    HA   GLN  12           HA       GLN  12  13.986  -3.470  -5.808
   82    HB2  GLN  12           HB2      GLN  12  13.415  -5.955  -5.027
   83    HB3  GLN  12           HB3      GLN  12  15.058  -5.359  -5.176
   84    HG2  GLN  12           HG2      GLN  12  14.954  -6.554  -3.151
   85    HG3  GLN  12           HG3      GLN  12  14.993  -4.854  -2.716
   86   HE21  GLN  12          HE21      GLN  12  13.190  -3.925  -1.780
   87   HE22  GLN  12          HE22      GLN  12  11.861  -4.836  -1.191
   88    H    LEU  13           H        LEU  13  12.207  -2.633  -6.587
   89    HA   LEU  13           HA       LEU  13   9.686  -2.843  -5.184
   90    HB2  LEU  13           HB2      LEU  13  10.338  -1.552  -7.835
   91    HB3  LEU  13           HB3      LEU  13   8.868  -1.327  -6.905
   92    HG   LEU  13           HG       LEU  13  11.540  -0.598  -5.739
   93   HD11  LEU  13          HD11      LEU  13   9.782   1.202  -7.395
   94   HD12  LEU  13          HD12      LEU  13  11.344   0.559  -7.895
   95   HD13  LEU  13          HD13      LEU  13  11.244   1.670  -6.529
   96   HD21  LEU  13          HD21      LEU  13   8.725   0.367  -5.261
   97   HD22  LEU  13          HD22      LEU  13  10.165   0.945  -4.425
   98   HD23  LEU  13          HD23      LEU  13   9.642  -0.727  -4.228
   99    H    TYR  14           H        TYR  14   7.859  -3.930  -5.914
  100    HA   TYR  14           HA       TYR  14   8.395  -6.367  -7.267
  101    HB2  TYR  14           HB2      TYR  14   6.716  -6.056  -5.439
  102    HB3  TYR  14           HB3      TYR  14   5.697  -5.191  -6.584
  103    HD1  TYR  14           HD2      TYR  14   7.481  -8.456  -6.247
  104    HD2  TYR  14           HD1      TYR  14   4.059  -6.391  -7.697
  105    HE1  TYR  14           HE2      TYR  14   6.504 -10.595  -6.964
  106    HE2  TYR  14           HE1      TYR  14   3.068  -8.523  -8.415
  107    HH   TYR  14           HH       TYR  14   4.260 -11.536  -7.424
  108    H    ARG  15           H        ARG  15   7.284  -3.295  -8.333
  109    HA   ARG  15           HA       ARG  15   6.608  -2.439 -10.318
  110    HB2  ARG  15           HB2      ARG  15   8.013  -3.147 -12.261
  111    HB3  ARG  15           HB3      ARG  15   8.914  -2.694 -10.826
  112    HG2  ARG  15           HG2      ARG  15   9.194  -5.095 -10.299
  113    HG3  ARG  15           HG3      ARG  15   8.386  -5.485 -11.817
  114    HD2  ARG  15           HD2      ARG  15  10.124  -4.436 -13.081
  115    HD3  ARG  15           HD3      ARG  15  10.875  -3.805 -11.614
  116    HE   ARG  15           HE       ARG  15  10.930  -6.450 -11.165
  117   HH11  ARG  15          HH11      ARG  15  11.827  -4.562 -13.972
  118   HH12  ARG  15          HH12      ARG  15  13.081  -5.665 -14.469
  119   HH21  ARG  15          HH21      ARG  15  12.606  -7.893 -11.805
  120   HH22  ARG  15          HH22      ARG  15  13.544  -7.523 -13.223
  121    H    LYS  16           H        LYS  16   4.891  -4.625  -9.460
  122    HA   LYS  16           HA       LYS  16   3.631  -5.085 -12.053
  123    HB2  LYS  16           HB2      LYS  16   4.260  -7.244 -10.047
  124    HB3  LYS  16           HB3      LYS  16   2.989  -7.419 -11.247
  125    HG2  LYS  16           HG2      LYS  16   4.717  -7.038 -13.013
  126    HG3  LYS  16           HG3      LYS  16   5.940  -7.101 -11.740
  127    HD2  LYS  16           HD2      LYS  16   5.230  -9.347 -11.140
  128    HD3  LYS  16           HD3      LYS  16   3.954  -9.280 -12.356
  129    HE2  LYS  16           HE2      LYS  16   5.849 -10.562 -13.171
  130    HE3  LYS  16           HE3      LYS  16   5.642  -9.090 -14.117
  131    HZ1  LYS  16           HZ1      LYS  16   7.502  -8.114 -13.148
  132    HZ2  LYS  16           HZ2      LYS  16   7.984  -9.727 -13.380
  133    HZ3  LYS  16           HZ3      LYS  16   7.523  -9.192 -11.839
  134    HA   PRO  17           HA       PRO  17  -0.012  -3.974  -9.747
  135    HB2  PRO  17           HB2      PRO  17  -1.616  -5.527 -11.633
  136    HB3  PRO  17           HB3      PRO  17  -1.547  -3.779 -11.409
  137    HG2  PRO  17           HG2      PRO  17  -0.564  -5.001 -13.610
  138    HG3  PRO  17           HG3      PRO  17   0.140  -3.516 -12.949
  139    HD2  PRO  17           HD2      PRO  17   1.073  -6.349 -12.656
  140    HD3  PRO  17           HD3      PRO  17   2.022  -4.874 -12.946
  141    H    LEU  18           H        LEU  18  -1.120  -4.841  -8.079
  142    HA   LEU  18           HA       LEU  18  -0.798  -7.697  -7.619
  143    HB2  LEU  18           HB2      LEU  18  -1.859  -5.529  -5.800
  144    HB3  LEU  18           HB3      LEU  18  -1.564  -7.194  -5.333
  145    HG   LEU  18           HG       LEU  18   0.507  -5.153  -6.145
  146   HD11  LEU  18          HD11      LEU  18   1.328  -5.456  -3.863
  147   HD12  LEU  18          HD12      LEU  18  -0.008  -6.557  -3.526
  148   HD13  LEU  18          HD13      LEU  18  -0.331  -4.860  -3.882
  149   HD21  LEU  18          HD21      LEU  18   1.100  -7.349  -7.013
  150   HD22  LEU  18          HD22      LEU  18   0.873  -8.054  -5.411
  151   HD23  LEU  18          HD23      LEU  18   2.164  -6.882  -5.686
  152    H    SER  19           H        SER  19  -2.634  -8.925  -6.687
  153    HA   SER  19           HA       SER  19  -5.000  -8.444  -8.312
  154    HB2  SER  19           HB2      SER  19  -4.191 -10.866  -6.696
  155    HB3  SER  19           HB3      SER  19  -5.574 -10.769  -7.788
  156    HG   SER  19           HG       SER  19  -3.731 -10.036  -9.329
  157    H    ASP  20           H        ASP  20  -7.086  -8.393  -7.490
  158    HA   ASP  20           HA       ASP  20  -7.385  -6.840  -5.182
  159    HB2  ASP  20           HB2      ASP  20  -8.965  -6.908  -7.122
  160    HB3  ASP  20           HB3      ASP  20  -9.544  -8.460  -6.521
  161    H    LYS  21           H        LYS  21  -7.767 -10.302  -5.684
  162    HA   LYS  21           HA       LYS  21  -9.020 -10.916  -3.258
  163    HB2  LYS  21           HB2      LYS  21  -7.233 -12.544  -5.049
  164    HB3  LYS  21           HB3      LYS  21  -7.940 -13.207  -3.580
  165    HG2  LYS  21           HG2      LYS  21 -10.183 -12.639  -4.464
  166    HG3  LYS  21           HG3      LYS  21  -9.417 -12.125  -5.968
  167    HD2  LYS  21           HD2      LYS  21  -8.605 -14.340  -6.388
  168    HD3  LYS  21           HD3      LYS  21  -9.122 -14.885  -4.791
  169    HE2  LYS  21           HE2      LYS  21 -10.679 -15.636  -6.508
  170    HE3  LYS  21           HE3      LYS  21 -11.454 -14.496  -5.409
  171    HZ1  LYS  21           HZ1      LYS  21 -12.048 -14.006  -7.675
  172    HZ2  LYS  21           HZ2      LYS  21 -10.416 -13.889  -8.124
  173    HZ3  LYS  21           HZ3      LYS  21 -11.087 -12.745  -7.066
  174    H    LEU  22           H        LEU  22  -5.535 -10.826  -4.044
  175    HA   LEU  22           HA       LEU  22  -4.829 -11.357  -1.331
  176    HB2  LEU  22           HB2      LEU  22  -2.541 -10.943  -1.971
  177    HB3  LEU  22           HB3      LEU  22  -3.324 -11.971  -3.146
  178    HG   LEU  22           HG       LEU  22  -3.636  -9.753  -4.490
  179   HD11  LEU  22          HD11      LEU  22  -2.873  -8.234  -2.752
  180   HD12  LEU  22          HD12      LEU  22  -1.792  -8.170  -4.144
  181   HD13  LEU  22          HD13      LEU  22  -1.315  -9.055  -2.695
  182   HD21  LEU  22          HD21      LEU  22  -0.990 -11.163  -4.180
  183   HD22  LEU  22          HD22      LEU  22  -1.429 -10.124  -5.533
  184   HD23  LEU  22          HD23      LEU  22  -2.311 -11.626  -5.250
  185    H    LEU  23           H        LEU  23  -5.558  -8.516  -3.167
  186    HA   LEU  23           HA       LEU  23  -4.343  -6.619  -1.466
  187    HB2  LEU  23           HB2      LEU  23  -6.609  -6.394  -3.433
  188    HB3  LEU  23           HB3      LEU  23  -6.040  -5.025  -2.500
  189    HG   LEU  23           HG       LEU  23  -4.340  -6.626  -4.419
  190   HD11  LEU  23          HD11      LEU  23  -6.056  -5.315  -5.578
  191   HD12  LEU  23          HD12      LEU  23  -4.437  -4.668  -5.862
  192   HD13  LEU  23          HD13      LEU  23  -5.522  -3.868  -4.723
  193   HD21  LEU  23          HD21      LEU  23  -3.775  -4.099  -2.878
  194   HD22  LEU  23          HD22      LEU  23  -2.724  -4.809  -4.101
  195   HD23  LEU  23          HD23      LEU  23  -3.044  -5.679  -2.602
  196    H    ARG  24           H        ARG  24  -7.549  -8.140  -1.427
  197    HA   ARG  24           HA       ARG  24  -8.639  -6.442   0.566
  198    HB2  ARG  24           HB2      ARG  24 -10.455  -7.950   0.700
  199    HB3  ARG  24           HB3      ARG  24  -9.934  -7.953  -0.976
  200    HG2  ARG  24           HG2      ARG  24  -8.704 -10.054  -0.537
  201    HG3  ARG  24           HG3      ARG  24  -9.380 -10.063   1.094
  202    HD2  ARG  24           HD2      ARG  24 -11.658  -9.865  -0.088
  203    HD3  ARG  24           HD3      ARG  24 -10.788 -10.380  -1.532
  204    HE   ARG  24           HE       ARG  24 -10.780 -11.983   0.942
  205   HH11  ARG  24          HH11      ARG  24 -11.298 -11.689  -2.519
  206   HH12  ARG  24          HH12      ARG  24 -11.575 -13.393  -2.743
  207   HH21  ARG  24          HH21      ARG  24 -11.157 -14.213   0.649
  208   HH22  ARG  24          HH22      ARG  24 -11.472 -14.826  -0.949
  209    H    LYS  25           H        LYS  25  -6.054  -8.286   0.903
  210    HA   LYS  25           HA       LYS  25  -6.585  -8.917   3.727
  211    HB2  LYS  25           HB2      LYS  25  -4.427 -10.165   2.057
  212    HB3  LYS  25           HB3      LYS  25  -5.011 -10.685   3.629
  213    HG2  LYS  25           HG2      LYS  25  -7.188 -11.244   2.601
  214    HG3  LYS  25           HG3      LYS  25  -6.510 -10.842   1.023
  215    HD2  LYS  25           HD2      LYS  25  -5.645 -13.043   2.891
  216    HD3  LYS  25           HD3      LYS  25  -6.383 -13.212   1.297
  217    HE2  LYS  25           HE2      LYS  25  -4.401 -12.109   0.316
  218    HE3  LYS  25           HE3      LYS  25  -3.669 -12.067   1.917
  219    HZ1  LYS  25           HZ1      LYS  25  -3.879 -14.530   1.949
  220    HZ2  LYS  25           HZ2      LYS  25  -2.815 -13.940   0.772
  221    HZ3  LYS  25           HZ3      LYS  25  -4.363 -14.471   0.321
  222    H    VAL  26           H        VAL  26  -5.223  -6.692   1.806
  223    HA   VAL  26           HA       VAL  26  -2.710  -6.340   3.217
  224    HB   VAL  26           HB       VAL  26  -4.056  -4.503   1.219
  225   HG11  VAL  26          HG11      VAL  26  -1.847  -3.484   0.998
  226   HG12  VAL  26          HG12      VAL  26  -1.222  -4.564   2.244
  227   HG13  VAL  26          HG13      VAL  26  -2.445  -3.359   2.653
  228   HG21  VAL  26          HG21      VAL  26  -1.868  -6.537   0.794
  229   HG22  VAL  26          HG22      VAL  26  -2.477  -5.405  -0.413
  230   HG23  VAL  26          HG23      VAL  26  -3.531  -6.668   0.223
  231    H    ILE  27           H        ILE  27  -3.077  -5.835   5.293
  232    HA   ILE  27           HA       ILE  27  -5.395  -4.351   6.083
  233    HB   ILE  27           HB       ILE  27  -4.655  -4.749   8.364
  234   HG12  ILE  27          HG12      ILE  27  -2.163  -5.947   7.123
  235   HG13  ILE  27          HG13      ILE  27  -2.224  -4.409   7.974
  236   HG21  ILE  27          HG21      ILE  27  -4.386  -7.120   6.511
  237   HG22  ILE  27          HG22      ILE  27  -5.854  -6.530   7.296
  238   HG23  ILE  27          HG23      ILE  27  -4.563  -7.244   8.263
  239   HD11  ILE  27          HD11      ILE  27  -2.836  -7.094   9.183
  240   HD12  ILE  27          HD12      ILE  27  -2.828  -5.546  10.028
  241   HD13  ILE  27          HD13      ILE  27  -1.327  -6.198   9.368
  242    H    GLN  28           H        GLN  28  -2.149  -3.519   5.334
  243    HA   GLN  28           HA       GLN  28  -2.621  -0.816   6.384
  244    HB2  GLN  28           HB2      GLN  28  -0.144  -2.493   6.765
  245    HB3  GLN  28           HB3      GLN  28  -0.134  -0.742   6.929
  246    HG2  GLN  28           HG2      GLN  28  -1.898  -2.578   8.530
  247    HG3  GLN  28           HG3      GLN  28  -0.329  -1.978   9.070
  248   HE21  GLN  28          HE21      GLN  28  -3.622  -1.123   8.321
  249   HE22  GLN  28          HE22      GLN  28  -3.612   0.408   9.131
  250    H    VAL  29           H        VAL  29  -2.143   0.774   5.028
  251    HA   VAL  29           HA       VAL  29  -0.434   0.202   2.691
  252    HB   VAL  29           HB       VAL  29  -2.539   2.366   2.926
  253   HG11  VAL  29          HG11      VAL  29  -0.944   1.398   0.554
  254   HG12  VAL  29          HG12      VAL  29  -0.722   2.926   1.407
  255   HG13  VAL  29          HG13      VAL  29  -2.211   2.624   0.511
  256   HG21  VAL  29          HG21      VAL  29  -2.685  -0.279   1.487
  257   HG22  VAL  29          HG22      VAL  29  -3.867   1.020   1.348
  258   HG23  VAL  29          HG23      VAL  29  -3.630   0.207   2.893
  259    H    GLU  30           H        GLU  30   1.537   1.147   2.931
  260    HA   GLU  30           HA       GLU  30   1.633   3.597   4.547
  261    HB2  GLU  30           HB2      GLU  30   3.778   2.766   5.510
  262    HB3  GLU  30           HB3      GLU  30   2.360   1.843   5.983
  263    HG2  GLU  30           HG2      GLU  30   2.976   0.238   4.101
  264    HG3  GLU  30           HG3      GLU  30   4.533   1.077   4.071
  265    H    LEU  31           H        LEU  31   3.044   5.149   3.983
  266    HA   LEU  31           HA       LEU  31   4.166   4.934   1.302
  267    HB2  LEU  31           HB2      LEU  31   2.751   6.837   1.655
  268    HB3  LEU  31           HB3      LEU  31   3.608   7.278   3.118
  269    HG   LEU  31           HG       LEU  31   5.604   7.828   1.762
  270   HD11  LEU  31          HD11      LEU  31   3.791   7.322  -0.591
  271   HD12  LEU  31          HD12      LEU  31   5.164   6.323  -0.118
  272   HD13  LEU  31          HD13      LEU  31   5.425   7.982  -0.657
  273   HD21  LEU  31          HD21      LEU  31   3.070   9.228   0.922
  274   HD22  LEU  31          HD22      LEU  31   4.702   9.877   0.777
  275   HD23  LEU  31          HD23      LEU  31   4.014   9.569   2.371
  276    H    GLN  32           H        GLN  32   6.231   4.622   0.989
  277    HA   GLN  32           HA       GLN  32   8.151   4.990   3.145
  278    HB2  GLN  32           HB2      GLN  32   8.404   2.956   1.942
  279    HB3  GLN  32           HB3      GLN  32   8.336   3.791   0.394
  280    HG2  GLN  32           HG2      GLN  32  10.463   4.847   0.842
  281    HG3  GLN  32           HG3      GLN  32  10.525   4.087   2.432
  282   HE21  GLN  32          HE21      GLN  32  12.223   3.926  -0.014
  283   HE22  GLN  32          HE22      GLN  32  12.368   2.232  -0.337
  284    H    GLU  33           H        GLU  33   9.026   6.913   3.399
  285    HA   GLU  33           HA       GLU  33   8.769   8.920   1.355
  286    HB2  GLU  33           HB2      GLU  33  10.076   9.050   4.077
  287    HB3  GLU  33           HB3      GLU  33   9.682  10.427   3.056
  288    HG2  GLU  33           HG2      GLU  33   7.334   9.990   3.269
  289    HG3  GLU  33           HG3      GLU  33   7.651   8.494   4.146
  290    H    ALA  34           H        ALA  34  10.350   9.848   0.151
  291    HA   ALA  34           HA       ALA  34  12.719   8.301  -0.316
  292    HB1  ALA  34           HB1      ALA  34  11.845  10.943  -1.484
  293    HB2  ALA  34           HB2      ALA  34  11.560   9.345  -2.172
  294    HB3  ALA  34           HB3      ALA  34  13.202   9.973  -2.055
  295    H    ASP  35           H        ASP  35  12.016  10.584   1.955
  296    HA   ASP  35           HA       ASP  35  14.861  11.201   2.313
  297    HB2  ASP  35           HB2      ASP  35  13.826  13.191   1.365
  298    HB3  ASP  35           HB3      ASP  35  12.553  13.144   2.577
  299    H    GLY  36           H        GLY  36  11.941  10.103   3.591
  300    HA2  GLY  36           HA2      GLY  36  12.340  10.891   6.315
  301    HA3  GLY  36           HA3      GLY  36  11.136   9.758   5.724
  302    H    ASP  37           H        ASP  37  11.711   7.548   5.474
  303    HA   ASP  37           HA       ASP  37  13.807   6.772   7.365
  304    HB2  ASP  37           HB2      ASP  37  11.511   5.218   6.167
  305    HB3  ASP  37           HB3      ASP  37  12.725   4.509   7.226
  306    H    CYS  38           H        CYS  38  13.750   7.332   4.197
  307    HA   CYS  38           HA       CYS  38  15.866   5.474   3.608
  308    HB2  CYS  38           HB2      CYS  38  13.556   4.300   3.266
  309    HB3  CYS  38           HB3      CYS  38  13.451   5.311   1.832
  310    H    HIS  39           H        HIS  39  16.354   5.732   1.084
  311    HA   HIS  39           HA       HIS  39  16.127   8.605   0.471
  312    HB2  HIS  39           HB2      HIS  39  18.126   8.378  -0.903
  313    HB3  HIS  39           HB3      HIS  39  18.446   7.790   0.721
  314    HD1  HIS  39           HD1      HIS  39  19.453   5.526   0.904
  315    HD2  HIS  39           HD2      HIS  39  17.771   6.192  -2.842
  316    HE1  HIS  39           HE1      HIS  39  20.082   3.529  -0.495
  317    HE2  HIS  39           HE2      HIS  39  18.978   3.908  -2.733
  318    H    LEU  40           H        LEU  40  14.343   6.177  -0.130
  319    HA   LEU  40           HA       LEU  40  13.961   6.753  -2.977
  320    HB2  LEU  40           HB2      LEU  40  15.287   4.622  -2.593
  321    HB3  LEU  40           HB3      LEU  40  13.870   3.968  -1.805
  322    HG   LEU  40           HG       LEU  40  14.324   3.314  -4.245
  323   HD11  LEU  40          HD11      LEU  40  11.620   4.399  -3.490
  324   HD12  LEU  40          HD12      LEU  40  12.249   2.802  -3.087
  325   HD13  LEU  40          HD13      LEU  40  11.950   3.232  -4.770
  326   HD21  LEU  40          HD21      LEU  40  14.805   5.525  -5.109
  327   HD22  LEU  40          HD22      LEU  40  13.189   6.074  -4.669
  328   HD23  LEU  40          HD23      LEU  40  13.394   4.848  -5.918
  329    H    GLN  41           H        GLN  41  11.860   7.111  -3.464
  330    HA   GLN  41           HA       GLN  41   9.908   6.914  -1.324
  331    HB2  GLN  41           HB2      GLN  41  10.007   8.961  -2.692
  332    HB3  GLN  41           HB3      GLN  41   9.632   8.021  -4.129
  333    HG2  GLN  41           HG2      GLN  41   7.463   7.422  -3.150
  334    HG3  GLN  41           HG3      GLN  41   7.844   8.409  -1.739
  335   HE21  GLN  41          HE21      GLN  41   7.857  10.649  -1.926
  336   HE22  GLN  41          HE22      GLN  41   7.105  11.455  -3.264
  337    H    ALA  42           H        ALA  42   8.459   5.336  -1.137
  338    HA   ALA  42           HA       ALA  42   7.739   3.749  -3.479
  339    HB1  ALA  42           HB1      ALA  42   8.170   1.635  -2.354
  340    HB2  ALA  42           HB2      ALA  42   8.809   2.499  -0.954
  341    HB3  ALA  42           HB3      ALA  42   9.653   2.579  -2.500
  342    H    PHE  43           H        PHE  43   5.893   2.366  -3.099
  343    HA   PHE  43           HA       PHE  43   4.277   3.196  -0.784
  344    HB2  PHE  43           HB2      PHE  43   3.463   2.583  -3.616
  345    HB3  PHE  43           HB3      PHE  43   2.313   2.477  -2.289
  346    HD1  PHE  43           HD2      PHE  43   1.555   4.447  -1.138
  347    HD2  PHE  43           HD1      PHE  43   4.307   4.722  -4.369
  348    HE1  PHE  43           HE2      PHE  43   1.094   6.858  -1.317
  349    HE2  PHE  43           HE1      PHE  43   3.854   7.134  -4.554
  350    HZ   PHE  43           HZ       PHE  43   2.247   8.205  -3.030
  351    H    VAL  44           H        VAL  44   4.363   1.586   0.648
  352    HA   VAL  44           HA       VAL  44   4.726  -1.125  -0.407
  353    HB   VAL  44           HB       VAL  44   5.301  -0.137   2.388
  354   HG11  VAL  44          HG11      VAL  44   6.100  -2.687   0.982
  355   HG12  VAL  44          HG12      VAL  44   4.897  -2.542   2.263
  356   HG13  VAL  44          HG13      VAL  44   6.594  -2.205   2.606
  357   HG21  VAL  44          HG21      VAL  44   7.670  -0.181   1.694
  358   HG22  VAL  44          HG22      VAL  44   6.722   1.010   0.801
  359   HG23  VAL  44          HG23      VAL  44   7.154  -0.520   0.039
  360    H    LEU  45           H        LEU  45   3.251  -2.630  -0.117
  361    HA   LEU  45           HA       LEU  45   0.886  -1.921   1.455
  362    HB2  LEU  45           HB2      LEU  45   1.237  -3.946  -0.758
  363    HB3  LEU  45           HB3      LEU  45  -0.256  -3.682   0.126
  364    HG   LEU  45           HG       LEU  45   1.142  -1.699  -1.669
  365   HD11  LEU  45          HD11      LEU  45  -0.886  -1.868  -3.013
  366   HD12  LEU  45          HD12      LEU  45  -1.512  -3.102  -1.919
  367   HD13  LEU  45          HD13      LEU  45  -0.066  -3.424  -2.877
  368   HD21  LEU  45          HD21      LEU  45  -1.341  -1.378   0.007
  369   HD22  LEU  45          HD22      LEU  45  -0.774  -0.231  -1.210
  370   HD23  LEU  45          HD23      LEU  45   0.197  -0.542   0.231
  371    H    HIS  46           H        HIS  46   0.480  -2.907   3.267
  372    HA   HIS  46           HA       HIS  46   2.282  -5.124   3.994
  373    HB2  HIS  46           HB2      HIS  46   2.658  -3.012   5.204
  374    HB3  HIS  46           HB3      HIS  46   0.996  -3.048   5.777
  375    HD1  HIS  46           HD1      HIS  46   3.792  -5.656   5.851
  376    HD2  HIS  46           HD2      HIS  46   1.077  -3.758   8.365
  377    HE1  HIS  46           HE1      HIS  46   4.158  -6.654   8.128
  378    HE2  HIS  46           HE2      HIS  46   2.728  -5.265   9.660
  379    H    LEU  47           H        LEU  47   1.286  -6.983   3.927
  380    HA   LEU  47           HA       LEU  47  -1.522  -7.211   4.684
  381    HB2  LEU  47           HB2      LEU  47   0.377  -9.300   3.600
  382    HB3  LEU  47           HB3      LEU  47  -1.339  -9.521   3.871
  383    HG   LEU  47           HG       LEU  47  -1.636  -7.601   2.158
  384   HD11  LEU  47          HD11      LEU  47   0.131  -7.431   0.496
  385   HD12  LEU  47          HD12      LEU  47   1.154  -8.503   1.451
  386   HD13  LEU  47          HD13      LEU  47   0.711  -6.915   2.079
  387   HD21  LEU  47          HD21      LEU  47  -1.638  -9.201   0.336
  388   HD22  LEU  47          HD22      LEU  47  -2.260  -9.949   1.807
  389   HD23  LEU  47          HD23      LEU  47  -0.618 -10.295   1.268
  390    H    ALA  48           H        ALA  48  -2.032  -9.205   6.056
  391    HA   ALA  48           HA       ALA  48  -0.596  -8.853   8.523
  392    HB1  ALA  48           HB1      ALA  48  -3.029  -9.058   8.506
  393    HB2  ALA  48           HB2      ALA  48  -2.290 -10.329   9.477
  394    HB3  ALA  48           HB3      ALA  48  -2.890 -10.692   7.862
  395    H    GLN  49           H        GLN  49  -0.050 -10.722   5.870
  396    HA   GLN  49           HA       GLN  49   1.259 -12.828   7.457
  397    HB2  GLN  49           HB2      GLN  49   0.597 -13.444   4.640
  398    HB3  GLN  49           HB3      GLN  49   0.525 -14.470   6.063
  399    HG2  GLN  49           HG2      GLN  49  -1.689 -14.300   5.393
  400    HG3  GLN  49           HG3      GLN  49  -1.564 -13.112   6.689
  401   HE21  GLN  49          HE21      GLN  49  -3.338 -11.943   5.898
  402   HE22  GLN  49          HE22      GLN  49  -3.208 -10.961   4.475
  403    H    ARG  50           H        ARG  50   1.769 -10.205   5.432
  404    HA   ARG  50           HA       ARG  50   4.481 -10.737   4.865
  405    HB2  ARG  50           HB2      ARG  50   4.345 -11.179   2.456
  406    HB3  ARG  50           HB3      ARG  50   3.538 -12.448   3.370
  407    HG2  ARG  50           HG2      ARG  50   1.394 -11.087   2.948
  408    HG3  ARG  50           HG3      ARG  50   2.336 -10.282   1.693
  409    HD2  ARG  50           HD2      ARG  50   1.812 -13.239   1.915
  410    HD3  ARG  50           HD3      ARG  50   1.051 -12.131   0.778
  411    HE   ARG  50           HE       ARG  50   3.604 -11.780   0.141
  412   HH11  ARG  50          HH11      ARG  50   1.888 -14.753   0.817
  413   HH12  ARG  50          HH12      ARG  50   2.864 -15.710  -0.253
  414   HH21  ARG  50          HH21      ARG  50   4.877 -13.023  -1.275
  415   HH22  ARG  50          HH22      ARG  50   4.550 -14.721  -1.475
  416    H    SER  51           H        SER  51   5.213  -9.230   2.929
  417    HA   SER  51           HA       SER  51   3.519  -6.850   2.729
  418    HB2  SER  51           HB2      SER  51   6.462  -6.716   3.455
  419    HB3  SER  51           HB3      SER  51   5.358  -5.354   3.274
  420    HG   SER  51           HG       SER  51   5.853  -6.798   5.449
  421    H    ILE  52           H        ILE  52   3.604  -5.882   0.777
  422    HA   ILE  52           HA       ILE  52   5.551  -6.960  -1.162
  423    HB   ILE  52           HB       ILE  52   2.738  -5.989  -1.723
  424   HG12  ILE  52          HG12      ILE  52   3.886  -8.794  -1.781
  425   HG13  ILE  52          HG13      ILE  52   2.812  -8.162  -0.538
  426   HG21  ILE  52          HG21      ILE  52   4.278  -5.547  -3.571
  427   HG22  ILE  52          HG22      ILE  52   3.123  -6.811  -3.996
  428   HG23  ILE  52          HG23      ILE  52   4.777  -7.240  -3.563
  429   HD11  ILE  52          HD11      ILE  52   2.126  -8.511  -3.447
  430   HD12  ILE  52          HD12      ILE  52   1.049  -7.889  -2.195
  431   HD13  ILE  52          HD13      ILE  52   1.617  -9.557  -2.120
  432    H    CYS  53           H        CYS  53   6.625  -5.494  -2.463
  433    HA   CYS  53           HA       CYS  53   6.427  -2.723  -1.501
  434    HB2  CYS  53           HB2      CYS  53   8.588  -3.971  -1.254
  435    HB3  CYS  53           HB3      CYS  53   8.688  -4.051  -3.009
  436    H    ILE  54           H        ILE  54   5.557  -1.246  -2.796
  437    HA   ILE  54           HA       ILE  54   5.408  -1.852  -5.667
  438    HB   ILE  54           HB       ILE  54   3.381  -0.913  -3.752
  439   HG12  ILE  54          HG12      ILE  54   3.296  -2.360  -6.404
  440   HG13  ILE  54          HG13      ILE  54   3.226  -3.091  -4.805
  441   HG21  ILE  54          HG21      ILE  54   3.644   1.142  -5.003
  442   HG22  ILE  54          HG22      ILE  54   2.104   0.373  -5.390
  443   HG23  ILE  54          HG23      ILE  54   3.452   0.265  -6.523
  444   HD11  ILE  54          HD11      ILE  54   1.077  -1.981  -4.408
  445   HD12  ILE  54          HD12      ILE  54   1.035  -3.038  -5.820
  446   HD13  ILE  54          HD13      ILE  54   1.148  -1.292  -6.031
  447    H    HIS  55           H        HIS  55   5.791  -0.285  -7.133
  448    HA   HIS  55           HA       HIS  55   7.456   1.922  -6.291
  449    HB2  HIS  55           HB2      HIS  55   8.165   0.602  -8.189
  450    HB3  HIS  55           HB3      HIS  55   6.618   0.826  -8.987
  451    HD1  HIS  55           HD1      HIS  55   6.413   2.754 -10.542
  452    HD2  HIS  55           HD2      HIS  55   9.794   3.015  -8.144
  453    HE1  HIS  55           HE1      HIS  55   7.707   4.718 -11.421
  454    HE2  HIS  55           HE2      HIS  55   9.875   4.694 -10.109
  455    HA   PRO  56           HA       PRO  56   4.180   4.979  -6.368
  456    HB2  PRO  56           HB2      PRO  56   5.745   7.141  -7.077
  457    HB3  PRO  56           HB3      PRO  56   5.557   6.540  -5.427
  458    HG2  PRO  56           HG2      PRO  56   7.750   6.039  -7.392
  459    HG3  PRO  56           HG3      PRO  56   7.855   6.343  -5.648
  460    HD2  PRO  56           HD2      PRO  56   8.097   3.868  -6.647
  461    HD3  PRO  56           HD3      PRO  56   7.264   4.166  -5.108
  462    H    GLN  57           H        GLN  57   3.014   6.200  -7.916
  463    HA   GLN  57           HA       GLN  57   2.166   6.709  -9.949
  464    HB2  GLN  57           HB2      GLN  57   5.017   6.313 -10.826
  465    HB3  GLN  57           HB3      GLN  57   3.737   6.755 -11.945
  466    HG2  GLN  57           HG2      GLN  57   3.311   8.788 -10.659
  467    HG3  GLN  57           HG3      GLN  57   4.590   8.340  -9.533
  468   HE21  GLN  57          HE21      GLN  57   5.703  10.262 -10.001
  469   HE22  GLN  57          HE22      GLN  57   6.571  10.470 -11.486
  470    H    ASN  58           H        ASN  58   2.937   3.771  -8.968
  471    HA   ASN  58           HA       ASN  58   2.204   2.340 -11.390
  472    HB2  ASN  58           HB2      ASN  58   3.049   1.566  -8.642
  473    HB3  ASN  58           HB3      ASN  58   2.023   0.434  -9.516
  474   HD21  ASN  58          HD21      ASN  58   2.876  -0.765 -11.128
  475   HD22  ASN  58          HD22      ASN  58   4.527  -0.677 -11.633
  476    HA   PRO  59           HA       PRO  59  -2.105   3.084 -10.951
  477    HB2  PRO  59           HB2      PRO  59  -2.283   0.426 -12.291
  478    HB3  PRO  59           HB3      PRO  59  -3.050   1.958 -12.723
  479    HG2  PRO  59           HG2      PRO  59  -0.958   1.064 -14.098
  480    HG3  PRO  59           HG3      PRO  59  -1.130   2.789 -13.725
  481    HD2  PRO  59           HD2      PRO  59   0.659   0.750 -12.483
  482    HD3  PRO  59           HD3      PRO  59   0.960   2.469 -12.810
  483    H    SER  60           H        SER  60  -0.739  -0.060 -10.116
  484    HA   SER  60           HA       SER  60  -2.974  -1.194  -8.904
  485    HB2  SER  60           HB2      SER  60  -0.959  -2.467  -9.519
  486    HB3  SER  60           HB3      SER  60  -0.067  -1.682  -8.217
  487    HG   SER  60           HG       SER  60  -2.082  -2.606  -6.983
  488    H    LEU  61           H        LEU  61  -0.720   1.169  -7.645
  489    HA   LEU  61           HA       LEU  61  -1.575   0.771  -4.914
  490    HB2  LEU  61           HB2      LEU  61   0.713   1.680  -5.841
  491    HB3  LEU  61           HB3      LEU  61  -0.127   3.218  -5.852
  492    HG   LEU  61           HG       LEU  61   1.230   2.891  -3.824
  493   HD11  LEU  61          HD11      LEU  61  -1.736   2.970  -3.330
  494   HD12  LEU  61          HD12      LEU  61  -0.689   4.346  -3.683
  495   HD13  LEU  61          HD13      LEU  61  -0.493   3.451  -2.175
  496   HD21  LEU  61          HD21      LEU  61   1.002   0.458  -3.671
  497   HD22  LEU  61          HD22      LEU  61  -0.690   0.652  -3.205
  498   HD23  LEU  61          HD23      LEU  61   0.595   1.260  -2.152
  499    H    SER  62           H        SER  62  -2.073   3.217  -7.443
  500    HA   SER  62           HA       SER  62  -3.713   4.921  -5.915
  501    HB2  SER  62           HB2      SER  62  -2.615   5.602  -8.028
  502    HB3  SER  62           HB3      SER  62  -3.692   4.530  -8.921
  503    HG   SER  62           HG       SER  62  -4.705   6.440  -9.033
  504    H    GLN  63           H        GLN  63  -4.497   2.295  -8.184
  505    HA   GLN  63           HA       GLN  63  -7.295   2.475  -7.875
  506    HB2  GLN  63           HB2      GLN  63  -7.439   0.343  -8.942
  507    HB3  GLN  63           HB3      GLN  63  -6.170   1.267  -9.730
  508    HG2  GLN  63           HG2      GLN  63  -4.500   0.021  -8.423
  509    HG3  GLN  63           HG3      GLN  63  -5.801  -0.950  -7.732
  510   HE21  GLN  63          HE21      GLN  63  -6.926  -2.384  -9.062
  511   HE22  GLN  63          HE22      GLN  63  -6.287  -2.911 -10.571
  512    H    TRP  64           H        TRP  64  -4.794   1.030  -5.940
  513    HA   TRP  64           HA       TRP  64  -6.536  -0.584  -4.380
  514    HB2  TRP  64           HB2      TRP  64  -4.139  -1.103  -4.476
  515    HB3  TRP  64           HB3      TRP  64  -3.766   0.437  -3.707
  516    HD1  TRP  64           HD1      TRP  64  -2.844  -0.274  -1.381
  517    HE1  TRP  64           HE1      TRP  64  -3.757  -1.661   0.576
  518    HE3  TRP  64           HE3      TRP  64  -7.069  -2.193  -3.585
  519    HZ2  TRP  64           HZ2      TRP  64  -5.952  -3.319   1.128
  520    HZ3  TRP  64           HZ3      TRP  64  -8.512  -3.661  -2.258
  521    HH2  TRP  64           HH2      TRP  64  -7.962  -4.216   0.046
  522    H    PHE  65           H        PHE  65  -5.423   2.754  -4.126
  523    HA   PHE  65           HA       PHE  65  -6.473   3.243  -1.566
  524    HB2  PHE  65           HB2      PHE  65  -5.938   5.003  -3.932
  525    HB3  PHE  65           HB3      PHE  65  -6.826   5.647  -2.556
  526    HD1  PHE  65           HD2      PHE  65  -5.496   4.414  -0.288
  527    HD2  PHE  65           HD1      PHE  65  -3.857   5.986  -3.884
  528    HE1  PHE  65           HE2      PHE  65  -3.382   4.874   0.884
  529    HE2  PHE  65           HE1      PHE  65  -1.739   6.450  -2.719
  530    HZ   PHE  65           HZ       PHE  65  -1.501   5.901  -0.333
  531    H    GLU  66           H        GLU  66  -8.007   3.183  -4.738
  532    HA   GLU  66           HA       GLU  66 -10.571   3.978  -3.775
  533    HB2  GLU  66           HB2      GLU  66  -9.669   2.612  -6.300
  534    HB3  GLU  66           HB3      GLU  66 -11.358   2.973  -5.973
  535    HG2  GLU  66           HG2      GLU  66  -9.123   4.981  -6.157
  536    HG3  GLU  66           HG3      GLU  66 -10.350   4.669  -7.383
  537    H    HIS  67           H        HIS  67  -9.045   0.842  -4.423
  538    HA   HIS  67           HA       HIS  67 -11.416  -0.646  -3.876
  539    HB2  HIS  67           HB2      HIS  67  -8.536  -1.420  -4.226
  540    HB3  HIS  67           HB3      HIS  67  -9.728  -2.601  -3.698
  541    HD1  HIS  67           HD1      HIS  67  -9.959  -4.044  -5.754
  542    HD2  HIS  67           HD2      HIS  67 -10.265   0.027  -6.591
  543    HE1  HIS  67           HE1      HIS  67 -10.642  -3.888  -8.169
  544    HE2  HIS  67           HE2      HIS  67 -11.088  -1.436  -8.555
  545    H    GLN  68           H        GLN  68  -8.607   0.272  -1.940
  546    HA   GLN  68           HA       GLN  68  -9.207  -1.177   0.387
  547    HB2  GLN  68           HB2      GLN  68  -7.064  -0.106   0.135
  548    HB3  GLN  68           HB3      GLN  68  -7.811   1.473  -0.029
  549    HG2  GLN  68           HG2      GLN  68  -8.332   0.037   2.494
  550    HG3  GLN  68           HG3      GLN  68  -6.677   0.588   2.226
  551   HE21  GLN  68          HE21      GLN  68  -6.281   2.815   2.034
  552   HE22  GLN  68          HE22      GLN  68  -7.407   3.989   2.619
  553    H    GLU  69           H        GLU  69 -10.243   1.974  -0.749
  554    HA   GLU  69           HA       GLU  69 -11.735   2.872   1.408
  555    HB2  GLU  69           HB2      GLU  69 -11.373   4.324  -0.435
  556    HB3  GLU  69           HB3      GLU  69 -12.088   3.190  -1.569
  557    HG2  GLU  69           HG2      GLU  69 -13.684   4.851  -1.358
  558    HG3  GLU  69           HG3      GLU  69 -14.267   3.576  -0.290
  559    H    ARG  70           H        ARG  70 -12.503   0.449  -0.990
  560    HA   ARG  70           HA       ARG  70 -15.156   0.087   0.231
  561    HB2  ARG  70           HB2      ARG  70 -15.873  -0.831  -1.938
  562    HB3  ARG  70           HB3      ARG  70 -15.287   0.819  -2.087
  563    HG2  ARG  70           HG2      ARG  70 -13.054  -0.239  -2.757
  564    HG3  ARG  70           HG3      ARG  70 -13.983  -1.723  -2.978
  565    HD2  ARG  70           HD2      ARG  70 -14.017  -0.798  -5.099
  566    HD3  ARG  70           HD3      ARG  70 -15.542  -0.234  -4.419
  567    HE   ARG  70           HE       ARG  70 -13.517   1.666  -3.915
  568   HH11  ARG  70          HH11      ARG  70 -15.491   0.406  -6.534
  569   HH12  ARG  70          HH12      ARG  70 -15.365   1.860  -7.480
  570   HH21  ARG  70          HH21      ARG  70 -13.344   3.586  -5.203
  571   HH22  ARG  70          HH22      ARG  70 -14.151   3.643  -6.743
  572    H    LYS  71           H        LYS  71 -12.698  -1.101   1.248
  573    HA   LYS  71           HA       LYS  71 -13.456  -3.905   1.174
  574    HB2  LYS  71           HB2      LYS  71 -11.707  -3.121  -0.731
  575    HB3  LYS  71           HB3      LYS  71 -10.588  -3.457   0.578
  576    HG2  LYS  71           HG2      LYS  71 -11.305  -5.729   0.702
  577    HG3  LYS  71           HG3      LYS  71 -12.621  -5.427  -0.437
  578    HD2  LYS  71           HD2      LYS  71  -9.695  -5.097  -1.083
  579    HD3  LYS  71           HD3      LYS  71 -10.639  -6.541  -1.458
  580    HE2  LYS  71           HE2      LYS  71 -11.450  -3.805  -2.396
  581    HE3  LYS  71           HE3      LYS  71 -10.331  -4.812  -3.313
  582    HZ1  LYS  71           HZ1      LYS  71 -13.014  -5.769  -2.483
  583    HZ2  LYS  71           HZ2      LYS  71 -11.979  -6.430  -3.658
  584    HZ3  LYS  71           HZ3      LYS  71 -12.758  -4.951  -3.940
  585    H    LEU  72           H        LEU  72 -11.067  -4.952   2.278
  586    HA   LEU  72           HA       LEU  72 -10.033  -5.304   4.235
  587    HB2  LEU  72           HB2      LEU  72  -9.928  -2.380   3.892
  588    HB3  LEU  72           HB3      LEU  72  -9.560  -2.985   5.496
  589    HG   LEU  72           HG       LEU  72  -7.723  -4.270   4.675
  590   HD11  LEU  72          HD11      LEU  72  -8.724  -5.041   2.591
  591   HD12  LEU  72          HD12      LEU  72  -7.121  -4.359   2.321
  592   HD13  LEU  72          HD13      LEU  72  -8.558  -3.424   1.910
  593   HD21  LEU  72          HD21      LEU  72  -6.308  -2.506   3.737
  594   HD22  LEU  72          HD22      LEU  72  -7.297  -1.907   5.069
  595   HD23  LEU  72          HD23      LEU  72  -7.747  -1.540   3.404
  596    H    HIS  73           H        HIS  73 -11.908  -2.459   5.253
  597    HA   HIS  73           HA       HIS  73 -13.540  -3.658   7.173
  598    HB2  HIS  73           HB2      HIS  73 -11.285  -4.503   7.979
  599    HB3  HIS  73           HB3      HIS  73 -10.844  -2.836   8.300
  600    HD1  HIS  73           HD1      HIS  73 -11.367  -5.487  10.233
  601    HD2  HIS  73           HD2      HIS  73 -13.485  -1.909  10.022
  602    HE1  HIS  73           HE1      HIS  73 -12.478  -5.213  12.472
  603    HE2  HIS  73           HE2      HIS  73 -13.574  -2.953  12.392
  604    H    GLY  74           H        GLY  74 -11.569  -1.073   6.040
  605    HA2  GLY  74           HA2      GLY  74 -12.562   1.189   6.002
  606    HA3  GLY  74           HA3      GLY  74 -13.063   0.891   7.666
  607    H    THR  75           H        THR  75 -10.211  -0.598   7.317
  608    HA   THR  75           HA       THR  75  -8.756   1.347   8.807
  609    HB   THR  75           HB       THR  75  -6.893  -0.387   8.534
  610    HG1  THR  75           HG1      THR  75  -7.738  -1.404   6.655
  611   HG21  THR  75          HG21      THR  75  -9.526  -1.253   9.748
  612   HG22  THR  75          HG22      THR  75  -8.296  -0.262  10.535
  613   HG23  THR  75          HG23      THR  75  -7.946  -1.942  10.125
  614    H    LEU  76           H        LEU  76  -7.627   2.932   7.973
  615    HA   LEU  76           HA       LEU  76  -6.418   2.719   5.355
  616    HB2  LEU  76           HB2      LEU  76  -7.501   4.640   4.456
  617    HB3  LEU  76           HB3      LEU  76  -8.721   3.497   4.973
  618    HG   LEU  76           HG       LEU  76  -8.791   4.935   7.138
  619   HD11  LEU  76          HD11      LEU  76  -6.739   6.153   6.314
  620   HD12  LEU  76          HD12      LEU  76  -8.058   7.150   6.954
  621   HD13  LEU  76          HD13      LEU  76  -7.817   7.005   5.206
  622   HD21  LEU  76          HD21      LEU  76 -10.633   4.729   5.550
  623   HD22  LEU  76          HD22      LEU  76  -9.882   5.935   4.506
  624   HD23  LEU  76          HD23      LEU  76 -10.469   6.394   6.105
  625    HA   PRO  77           HA       PRO  77  -3.335   5.022   7.375
  626    HB2  PRO  77           HB2      PRO  77  -1.847   5.845   5.327
  627    HB3  PRO  77           HB3      PRO  77  -2.056   4.126   5.689
  628    HG2  PRO  77           HG2      PRO  77  -3.398   5.791   3.598
  629    HG3  PRO  77           HG3      PRO  77  -2.747   4.148   3.473
  630    HD2  PRO  77           HD2      PRO  77  -5.414   4.754   3.886
  631    HD3  PRO  77           HD3      PRO  77  -4.650   3.208   4.305
  632    H    LYS  78           H        LYS  78  -2.927   6.987   8.185
  633    HA   LYS  78           HA       LYS  78  -4.603   9.170   7.274
  634    HB2  LYS  78           HB2      LYS  78  -4.468   8.544   9.677
  635    HB3  LYS  78           HB3      LYS  78  -2.763   8.959   9.669
  636    HG2  LYS  78           HG2      LYS  78  -4.046  10.735  10.659
  637    HG3  LYS  78           HG3      LYS  78  -3.341  11.264   9.132
  638    HD2  LYS  78           HD2      LYS  78  -5.446  11.008   8.005
  639    HD3  LYS  78           HD3      LYS  78  -6.170  10.276   9.437
  640    HE2  LYS  78           HE2      LYS  78  -6.814  12.640   9.136
  641    HE3  LYS  78           HE3      LYS  78  -5.969  12.341  10.654
  642    HZ1  LYS  78           HZ1      LYS  78  -4.633  13.373   8.210
  643    HZ2  LYS  78           HZ2      LYS  78  -3.988  13.286   9.784
  644    HZ3  LYS  78           HZ3      LYS  78  -5.245  14.368   9.438
  645    H    LEU  79           H        LEU  79  -3.153   9.090   5.263
  646    HA   LEU  79           HA       LEU  79  -0.978  11.020   5.628
  647    HB2  LEU  79           HB2      LEU  79   0.104   9.889   3.617
  648    HB3  LEU  79           HB3      LEU  79   0.206   9.070   5.162
  649    HG   LEU  79           HG       LEU  79  -1.819   7.705   4.387
  650   HD11  LEU  79          HD11      LEU  79  -2.128   7.483   1.991
  651   HD12  LEU  79          HD12      LEU  79  -0.933   8.747   1.698
  652   HD13  LEU  79          HD13      LEU  79  -2.456   9.141   2.496
  653   HD21  LEU  79          HD21      LEU  79  -0.388   6.149   3.183
  654   HD22  LEU  79          HD22      LEU  79   0.446   6.840   4.577
  655   HD23  LEU  79          HD23      LEU  79   0.812   7.422   2.954
  656    H    ASN  80           H        ASN  80  -3.855  11.030   4.797
  657    HA   ASN  80           HA       ASN  80  -5.267  11.910   3.264
  658    HB2  ASN  80           HB2      ASN  80  -4.285  13.934   4.112
  659    HB3  ASN  80           HB3      ASN  80  -2.904  13.774   3.031
  660   HD21  ASN  80          HD21      ASN  80  -3.056  14.396   0.971
  661   HD22  ASN  80          HD22      ASN  80  -4.427  15.235   0.325
  662    H    PHE  81           H        PHE  81  -5.393  10.201   1.809
  663    HA   PHE  81           HA       PHE  81  -3.545  10.149  -0.434
  664    HB2  PHE  81           HB2      PHE  81  -5.017   8.119  -1.083
  665    HB3  PHE  81           HB3      PHE  81  -3.939   7.981   0.301
  666    HD1  PHE  81           HD1      PHE  81  -7.465   8.661  -0.634
  667    HD2  PHE  81           HD2      PHE  81  -4.760   7.387   2.393
  668    HE1  PHE  81           HE1      PHE  81  -9.366   8.004   0.783
  669    HE2  PHE  81           HE2      PHE  81  -6.657   6.726   3.811
  670    HZ   PHE  81           HZ       PHE  81  -8.963   7.036   3.008
  671    H    GLY  82           H        GLY  82  -6.021  12.024   0.213
  672    HA2  GLY  82           HA2      GLY  82  -7.684  11.811  -2.086
  673    HA3  GLY  82           HA3      GLY  82  -7.549  13.212  -1.032
  674    H    MET  83           H        MET  83  -4.510  12.869  -1.682
  675    HA   MET  83           HA       MET  83  -4.503  14.783  -3.843
  676    HB2  MET  83           HB2      MET  83  -2.066  14.874  -3.463
  677    HB3  MET  83           HB3      MET  83  -2.976  15.127  -1.984
  678    HG2  MET  83           HG2      MET  83  -1.192  13.753  -1.369
  679    HG3  MET  83           HG3      MET  83  -2.567  12.663  -1.490
  680    HE1  MET  83           HE1      MET  83   0.267  10.294  -2.676
  681    HE2  MET  83           HE2      MET  83  -1.120  10.504  -1.606
  682    HE3  MET  83           HE3      MET  83   0.332  11.479  -1.369
  683    H    LEU  84           H        LEU  84  -4.839  11.561  -3.864
  684    HA   LEU  84           HA       LEU  84  -3.342  11.274  -6.377
  685    HB2  LEU  84           HB2      LEU  84  -2.102  10.200  -4.540
  686    HB3  LEU  84           HB3      LEU  84  -3.503   9.206  -4.187
  687    HG   LEU  84           HG       LEU  84  -3.304   8.170  -6.427
  688   HD11  LEU  84          HD11      LEU  84  -1.254   8.525  -7.718
  689   HD12  LEU  84          HD12      LEU  84  -0.776   9.800  -6.595
  690   HD13  LEU  84          HD13      LEU  84  -2.218   9.996  -7.595
  691   HD21  LEU  84          HD21      LEU  84  -0.864   8.050  -4.666
  692   HD22  LEU  84          HD22      LEU  84  -1.244   6.888  -5.937
  693   HD23  LEU  84          HD23      LEU  84  -2.313   7.052  -4.545
  694    H    ARG  85           H        ARG  85  -6.170  10.508  -4.497
  695    HA   ARG  85           HA       ARG  85  -7.124   8.347  -5.985
  696    HB2  ARG  85           HB2      ARG  85  -8.614  10.388  -4.345
  697    HB3  ARG  85           HB3      ARG  85  -9.390   8.995  -5.087
  698    HG2  ARG  85           HG2      ARG  85  -7.837   7.532  -3.810
  699    HG3  ARG  85           HG3      ARG  85  -7.243   8.972  -2.981
  700    HD2  ARG  85           HD2      ARG  85  -8.890   7.927  -1.595
  701    HD3  ARG  85           HD3      ARG  85  -9.564   9.427  -2.229
  702    HE   ARG  85           HE       ARG  85 -10.360   7.454  -3.994
  703   HH11  ARG  85          HH11      ARG  85 -10.758   8.133  -0.584
  704   HH12  ARG  85          HH12      ARG  85 -12.271   7.289  -0.450
  705   HH21  ARG  85          HH21      ARG  85 -12.368   6.369  -3.849
  706   HH22  ARG  85          HH22      ARG  85 -13.208   6.323  -2.322
  707    H    LYS  86           H        LYS  86  -7.749   8.186  -7.945
  708    HA   LYS  86           HA       LYS  86  -8.664   8.544  -9.971
  709    HB2  LYS  86           HB2      LYS  86 -10.606   9.350  -8.481
  710    HB3  LYS  86           HB3      LYS  86 -10.079  10.977  -8.899
  711    HG2  LYS  86           HG2      LYS  86 -11.881  10.264 -10.351
  712    HG3  LYS  86           HG3      LYS  86 -10.384  10.461 -11.266
  713    HD2  LYS  86           HD2      LYS  86 -10.004   8.013 -11.069
  714    HD3  LYS  86           HD3      LYS  86 -11.587   7.869 -10.303
  715    HE2  LYS  86           HE2      LYS  86 -11.063   8.941 -13.072
  716    HE3  LYS  86           HE3      LYS  86 -11.654   7.324 -12.696
  717    HZ1  LYS  86           HZ1      LYS  86 -13.579   8.436 -11.586
  718    HZ2  LYS  86           HZ2      LYS  86 -13.510   8.643 -13.270
  719    HZ3  LYS  86           HZ3      LYS  86 -13.042   9.905 -12.242
  720    H    MET  87           H        MET  87  -6.320  10.114  -8.770
  721    HA   MET  87           HA       MET  87  -6.109  12.144 -10.886
  722    HB2  MET  87           HB2      MET  87  -4.602  11.804  -8.286
  723    HB3  MET  87           HB3      MET  87  -4.190  13.008  -9.507
  724    HG2  MET  87           HG2      MET  87  -6.451  13.972  -9.252
  725    HG3  MET  87           HG3      MET  87  -6.766  12.815  -7.959
  726    HE1  MET  87           HE1      MET  87  -7.376  14.641  -6.217
  727    HE2  MET  87           HE2      MET  87  -7.195  15.872  -7.466
  728    HE3  MET  87           HE3      MET  87  -6.408  16.080  -5.901
  729    H    GLY  88           H        GLY  88  -5.196   9.055 -10.018
  730    HA2  GLY  88           HA2      GLY  88  -3.303   8.931 -12.225
  731    HA3  GLY  88           HA3      GLY  88  -2.699   8.453 -10.642
  Start of MODEL   12
    1    H1   PHE   1           HT1      PHE   1  14.371 -10.585   0.733
    2    H2   PHE   1           HT2      PHE   1  15.605  -9.786  -0.109
    3    H3   PHE   1           HT3      PHE   1  13.982  -9.480  -0.492
    4    HA   PHE   1           HA       PHE   1  15.373  -8.769   2.027
    5    HB2  PHE   1           HB2      PHE   1  15.754  -7.333  -0.027
    6    HB3  PHE   1           HB3      PHE   1  14.029  -6.994  -0.020
    7    HD1  PHE   1           HD2      PHE   1  13.029  -5.696   1.829
    8    HD2  PHE   1           HD1      PHE   1  17.233  -6.254   1.483
    9    HE1  PHE   1           HE2      PHE   1  13.400  -3.828   3.384
   10    HE2  PHE   1           HE1      PHE   1  17.612  -4.387   3.037
   11    HZ   PHE   1           HZ       PHE   1  15.695  -3.169   3.991
   12    H    LEU   2           H        LEU   2  14.069  -9.272   3.634
   13    HA   LEU   2           HA       LEU   2  11.208  -9.179   3.434
   14    HB2  LEU   2           HB2      LEU   2  12.281 -10.779   4.912
   15    HB3  LEU   2           HB3      LEU   2  13.087  -9.493   5.784
   16    HG   LEU   2           HG       LEU   2  10.090  -9.596   5.759
   17   HD11  LEU   2          HD11      LEU   2  11.877 -11.185   7.597
   18   HD12  LEU   2          HD12      LEU   2  10.836 -11.862   6.343
   19   HD13  LEU   2          HD13      LEU   2  10.126 -11.026   7.727
   20   HD21  LEU   2          HD21      LEU   2  10.363  -8.575   7.954
   21   HD22  LEU   2          HD22      LEU   2  11.228  -7.649   6.725
   22   HD23  LEU   2          HD23      LEU   2  12.117  -8.714   7.816
   23    H    LEU   3           H        LEU   3   9.935  -7.465   3.751
   24    HA   LEU   3           HA       LEU   3  11.071  -4.914   4.459
   25    HB2  LEU   3           HB2      LEU   3   8.593  -5.896   3.305
   26    HB3  LEU   3           HB3      LEU   3   8.292  -4.673   4.523
   27    HG   LEU   3           HG       LEU   3   8.424  -3.694   2.289
   28   HD11  LEU   3          HD11      LEU   3   9.117  -2.336   4.182
   29   HD12  LEU   3          HD12      LEU   3  10.088  -1.958   2.757
   30   HD13  LEU   3          HD13      LEU   3  10.763  -2.956   4.045
   31   HD21  LEU   3          HD21      LEU   3   9.942  -5.328   1.275
   32   HD22  LEU   3          HD22      LEU   3  11.267  -4.705   2.259
   33   HD23  LEU   3          HD23      LEU   3  10.512  -3.677   1.041
   34    HA   PRO   4           HA       PRO   4  10.527  -5.910   8.814
   35    HB2  PRO   4           HB2      PRO   4  11.701  -3.237   9.187
   36    HB3  PRO   4           HB3      PRO   4  12.276  -4.805   9.759
   37    HG2  PRO   4           HG2      PRO   4  13.522  -3.465   7.788
   38    HG3  PRO   4           HG3      PRO   4  13.440  -5.236   7.817
   39    HD2  PRO   4           HD2      PRO   4  11.840  -3.289   6.200
   40    HD3  PRO   4           HD3      PRO   4  12.515  -4.868   5.725
   41    HA   PRO   5           HA       PRO   5   6.706  -3.797   9.706
   42    HB2  PRO   5           HB2      PRO   5   7.609  -4.112  12.523
   43    HB3  PRO   5           HB3      PRO   5   6.084  -4.595  11.771
   44    HG2  PRO   5           HG2      PRO   5   7.934  -6.412  12.376
   45    HG3  PRO   5           HG3      PRO   5   6.986  -6.538  10.883
   46    HD2  PRO   5           HD2      PRO   5   9.811  -5.644  11.266
   47    HD3  PRO   5           HD3      PRO   5   9.096  -6.594   9.947
   48    H    SER   6           H        SER   6   6.257  -1.702   9.817
   49    HA   SER   6           HA       SER   6   6.487   0.531   9.972
   50    HB2  SER   6           HB2      SER   6   7.337   1.399  12.215
   51    HB3  SER   6           HB3      SER   6   5.939   0.329  12.262
   52    HG   SER   6           HG       SER   6   8.293  -1.038  12.438
   53    H    THR   7           H        THR   7   8.669  -1.019   8.772
   54    HA   THR   7           HA       THR   7  10.643   1.151   8.790
   55    HB   THR   7           HB       THR   7  11.336  -1.783   8.560
   56    HG1  THR   7           HG1      THR   7  10.696  -1.006  10.724
   57   HG21  THR   7          HG21      THR   7  12.841  -0.322   7.329
   58   HG22  THR   7          HG22      THR   7  13.651  -0.990   8.744
   59   HG23  THR   7          HG23      THR   7  13.072   0.675   8.762
   60    H    ALA   8           H        ALA   8   9.556   1.951   6.950
   61    HA   ALA   8           HA       ALA   8   9.289   0.295   4.606
   62    HB1  ALA   8           HB1      ALA   8   8.447   2.312   3.516
   63    HB2  ALA   8           HB2      ALA   8   8.895   3.268   4.930
   64    HB3  ALA   8           HB3      ALA   8   7.639   2.036   5.060
   65    H    CYS   9           H        CYS   9  11.398  -0.364   4.221
   66    HA   CYS   9           HA       CYS   9  13.033   1.683   2.898
   67    HB2  CYS   9           HB2      CYS   9  14.068  -0.571   4.633
   68    HB3  CYS   9           HB3      CYS   9  15.066   0.535   3.697
   69    H    CYS  10           H        CYS  10  12.825   1.204   0.822
   70    HA   CYS  10           HA       CYS  10  12.762  -1.633   0.039
   71    HB2  CYS  10           HB2      CYS  10  11.602   0.810  -1.285
   72    HB3  CYS  10           HB3      CYS  10  11.698  -0.757  -2.075
   73    H    THR  11           H        THR  11  14.633  -2.325  -0.741
   74    HA   THR  11           HA       THR  11  16.080  -0.590  -2.606
   75    HB   THR  11           HB       THR  11  17.798  -2.503  -2.485
   76    HG1  THR  11           HG1      THR  11  17.005  -4.186  -1.455
   77   HG21  THR  11          HG21      THR  11  17.195  -0.976   0.053
   78   HG22  THR  11          HG22      THR  11  18.097  -0.352  -1.326
   79   HG23  THR  11          HG23      THR  11  18.745  -1.694  -0.384
   80    H    GLN  12           H        GLN  12  13.604  -2.616  -2.658
   81    HA   GLN  12           HA       GLN  12  14.062  -3.433  -5.394
   82    HB2  GLN  12           HB2      GLN  12  12.966  -5.725  -4.691
   83    HB3  GLN  12           HB3      GLN  12  14.700  -5.487  -4.602
   84    HG2  GLN  12           HG2      GLN  12  13.959  -6.634  -2.634
   85    HG3  GLN  12           HG3      GLN  12  14.477  -5.012  -2.188
   86   HE21  GLN  12          HE21      GLN  12  13.018  -3.604  -1.341
   87   HE22  GLN  12          HE22      GLN  12  11.402  -4.021  -0.932
   88    H    LEU  13           H        LEU  13  12.076  -4.124  -6.477
   89    HA   LEU  13           HA       LEU  13   9.611  -3.194  -5.180
   90    HB2  LEU  13           HB2      LEU  13  10.595  -2.355  -7.913
   91    HB3  LEU  13           HB3      LEU  13   8.982  -2.048  -7.302
   92    HG   LEU  13           HG       LEU  13  11.493  -0.977  -6.014
   93   HD11  LEU  13          HD11      LEU  13   9.606   0.288  -7.991
   94   HD12  LEU  13          HD12      LEU  13  11.335   0.001  -8.190
   95   HD13  LEU  13          HD13      LEU  13  10.766   1.191  -7.015
   96   HD21  LEU  13          HD21      LEU  13   8.581  -0.278  -5.656
   97   HD22  LEU  13          HD22      LEU  13   9.941   0.518  -4.864
   98   HD23  LEU  13          HD23      LEU  13   9.580  -1.172  -4.511
   99    H    TYR  14           H        TYR  14   7.686  -4.094  -6.074
  100    HA   TYR  14           HA       TYR  14   8.079  -6.679  -7.302
  101    HB2  TYR  14           HB2      TYR  14   6.377  -6.319  -5.529
  102    HB3  TYR  14           HB3      TYR  14   5.498  -5.252  -6.619
  103    HD1  TYR  14           HD1      TYR  14   6.919  -8.713  -6.623
  104    HD2  TYR  14           HD2      TYR  14   3.706  -6.164  -7.744
  105    HE1  TYR  14           HE1      TYR  14   5.700 -10.654  -7.517
  106    HE2  TYR  14           HE2      TYR  14   2.480  -8.094  -8.644
  107    HH   TYR  14           HH       TYR  14   3.262 -11.253  -7.954
  108    H    ARG  15           H        ARG  15   6.719  -3.560  -8.191
  109    HA   ARG  15           HA       ARG  15   6.652  -2.470 -10.176
  110    HB2  ARG  15           HB2      ARG  15   7.872  -4.948 -11.393
  111    HB3  ARG  15           HB3      ARG  15   7.722  -3.380 -12.174
  112    HG2  ARG  15           HG2      ARG  15   9.205  -2.393 -10.523
  113    HG3  ARG  15           HG3      ARG  15   9.329  -3.944  -9.693
  114    HD2  ARG  15           HD2      ARG  15  10.220  -4.881 -11.871
  115    HD3  ARG  15           HD3      ARG  15  10.347  -3.208 -12.427
  116    HE   ARG  15           HE       ARG  15  11.604  -3.571  -9.902
  117   HH11  ARG  15          HH11      ARG  15  12.092  -4.046 -13.344
  118   HH12  ARG  15          HH12      ARG  15  13.823  -4.085 -13.212
  119   HH21  ARG  15          HH21      ARG  15  13.867  -3.611  -9.736
  120   HH22  ARG  15          HH22      ARG  15  14.838  -3.816 -11.166
  121    H    LYS  16           H        LYS  16   5.570  -5.823 -10.306
  122    HA   LYS  16           HA       LYS  16   3.605  -5.313 -12.347
  123    HB2  LYS  16           HB2      LYS  16   4.517  -7.641 -10.763
  124    HB3  LYS  16           HB3      LYS  16   2.842  -7.683 -11.288
  125    HG2  LYS  16           HG2      LYS  16   4.252  -8.845 -12.865
  126    HG3  LYS  16           HG3      LYS  16   3.560  -7.406 -13.607
  127    HD2  LYS  16           HD2      LYS  16   5.656  -6.215 -13.307
  128    HD3  LYS  16           HD3      LYS  16   6.353  -7.612 -12.482
  129    HE2  LYS  16           HE2      LYS  16   7.084  -7.524 -14.804
  130    HE3  LYS  16           HE3      LYS  16   6.086  -8.948 -14.513
  131    HZ1  LYS  16           HZ1      LYS  16   4.178  -7.540 -15.389
  132    HZ2  LYS  16           HZ2      LYS  16   5.317  -8.067 -16.520
  133    HZ3  LYS  16           HZ3      LYS  16   5.362  -6.467 -15.961
  134    HA   PRO  17           HA       PRO  17   0.170  -4.251  -9.722
  135    HB2  PRO  17           HB2      PRO  17  -1.917  -5.413 -10.989
  136    HB3  PRO  17           HB3      PRO  17  -1.077  -4.004 -11.646
  137    HG2  PRO  17           HG2      PRO  17  -0.788  -6.891 -12.365
  138    HG3  PRO  17           HG3      PRO  17  -0.840  -5.474 -13.428
  139    HD2  PRO  17           HD2      PRO  17   1.471  -6.728 -12.711
  140    HD3  PRO  17           HD3      PRO  17   1.383  -4.999 -13.107
  141    H    LEU  18           H        LEU  18  -1.407  -5.083  -8.239
  142    HA   LEU  18           HA       LEU  18  -0.755  -7.814  -7.382
  143    HB2  LEU  18           HB2      LEU  18  -1.930  -5.494  -5.858
  144    HB3  LEU  18           HB3      LEU  18  -1.666  -7.091  -5.187
  145    HG   LEU  18           HG       LEU  18   0.484  -5.221  -6.189
  146   HD11  LEU  18          HD11      LEU  18  -0.165  -6.125  -3.388
  147   HD12  LEU  18          HD12      LEU  18  -0.560  -4.542  -4.060
  148   HD13  LEU  18          HD13      LEU  18   1.128  -5.024  -3.871
  149   HD21  LEU  18          HD21      LEU  18   2.032  -6.880  -5.237
  150   HD22  LEU  18          HD22      LEU  18   1.099  -7.525  -6.587
  151   HD23  LEU  18          HD23      LEU  18   0.669  -7.953  -4.930
  152    H    SER  19           H        SER  19  -2.332  -9.289  -6.881
  153    HA   SER  19           HA       SER  19  -4.820  -9.031  -8.270
  154    HB2  SER  19           HB2      SER  19  -3.980 -11.194  -6.328
  155    HB3  SER  19           HB3      SER  19  -5.213 -11.309  -7.583
  156    HG   SER  19           HG       SER  19  -2.707 -10.557  -8.484
  157    H    ASP  20           H        ASP  20  -6.894  -8.886  -7.407
  158    HA   ASP  20           HA       ASP  20  -7.172  -7.269  -5.116
  159    HB2  ASP  20           HB2      ASP  20  -8.761  -7.446  -7.088
  160    HB3  ASP  20           HB3      ASP  20  -9.372  -8.922  -6.346
  161    H    LYS  21           H        LYS  21  -7.295 -10.729  -5.560
  162    HA   LYS  21           HA       LYS  21  -8.492 -11.540  -3.186
  163    HB2  LYS  21           HB2      LYS  21  -6.226 -12.829  -4.709
  164    HB3  LYS  21           HB3      LYS  21  -7.124 -13.609  -3.416
  165    HG2  LYS  21           HG2      LYS  21  -9.177 -13.431  -4.734
  166    HG3  LYS  21           HG3      LYS  21  -8.268 -12.656  -6.034
  167    HD2  LYS  21           HD2      LYS  21  -8.558 -14.997  -6.551
  168    HD3  LYS  21           HD3      LYS  21  -6.857 -14.684  -6.203
  169    HE2  LYS  21           HE2      LYS  21  -7.215 -15.514  -3.902
  170    HE3  LYS  21           HE3      LYS  21  -8.882 -15.898  -4.325
  171    HZ1  LYS  21           HZ1      LYS  21  -8.079 -17.455  -5.979
  172    HZ2  LYS  21           HZ2      LYS  21  -7.430 -17.832  -4.460
  173    HZ3  LYS  21           HZ3      LYS  21  -6.469 -17.054  -5.618
  174    H    LEU  22           H        LEU  22  -5.054 -10.800  -3.800
  175    HA   LEU  22           HA       LEU  22  -4.367 -11.249  -1.058
  176    HB2  LEU  22           HB2      LEU  22  -2.147 -10.492  -1.615
  177    HB3  LEU  22           HB3      LEU  22  -2.714 -11.626  -2.820
  178    HG   LEU  22           HG       LEU  22  -3.336  -9.441  -4.145
  179   HD11  LEU  22          HD11      LEU  22  -1.159  -8.478  -2.297
  180   HD12  LEU  22          HD12      LEU  22  -2.810  -7.863  -2.386
  181   HD13  LEU  22          HD13      LEU  22  -1.712  -7.641  -3.748
  182   HD21  LEU  22          HD21      LEU  22  -1.764 -11.128  -4.898
  183   HD22  LEU  22          HD22      LEU  22  -0.518 -10.469  -3.839
  184   HD23  LEU  22          HD23      LEU  22  -1.117  -9.514  -5.194
  185    H    LEU  23           H        LEU  23  -5.464  -8.585  -2.942
  186    HA   LEU  23           HA       LEU  23  -4.581  -6.493  -1.276
  187    HB2  LEU  23           HB2      LEU  23  -6.869  -6.671  -3.232
  188    HB3  LEU  23           HB3      LEU  23  -6.443  -5.192  -2.394
  189    HG   LEU  23           HG       LEU  23  -4.652  -6.708  -4.296
  190   HD11  LEU  23          HD11      LEU  23  -6.487  -5.592  -5.447
  191   HD12  LEU  23          HD12      LEU  23  -4.957  -4.776  -5.771
  192   HD13  LEU  23          HD13      LEU  23  -6.101  -4.081  -4.624
  193   HD21  LEU  23          HD21      LEU  23  -3.186  -4.740  -4.096
  194   HD22  LEU  23          HD22      LEU  23  -3.358  -5.613  -2.574
  195   HD23  LEU  23          HD23      LEU  23  -4.239  -4.106  -2.830
  196    H    ARG  24           H        ARG  24  -7.550  -8.436  -1.266
  197    HA   ARG  24           HA       ARG  24  -8.788  -6.930   0.827
  198    HB2  ARG  24           HB2      ARG  24 -10.412  -8.752   0.925
  199    HB3  ARG  24           HB3      ARG  24 -10.102  -8.279  -0.739
  200    HG2  ARG  24           HG2      ARG  24  -8.485 -10.213  -0.855
  201    HG3  ARG  24           HG3      ARG  24  -9.142 -10.734   0.699
  202    HD2  ARG  24           HD2      ARG  24 -10.252 -11.896  -1.112
  203    HD3  ARG  24           HD3      ARG  24 -11.385 -10.818  -0.297
  204    HE   ARG  24           HE       ARG  24 -10.206  -9.490  -2.491
  205   HH11  ARG  24          HH11      ARG  24 -12.546 -11.983  -1.745
  206   HH12  ARG  24          HH12      ARG  24 -13.451 -11.750  -3.212
  207   HH21  ARG  24          HH21      ARG  24 -11.385  -9.156  -4.403
  208   HH22  ARG  24          HH22      ARG  24 -12.784 -10.144  -4.736
  209    H    LYS  25           H        LYS  25  -6.084  -8.619   0.947
  210    HA   LYS  25           HA       LYS  25  -6.488  -9.548   3.705
  211    HB2  LYS  25           HB2      LYS  25  -4.552 -10.522   1.620
  212    HB3  LYS  25           HB3      LYS  25  -4.494 -11.001   3.312
  213    HG2  LYS  25           HG2      LYS  25  -6.783 -11.897   3.094
  214    HG3  LYS  25           HG3      LYS  25  -6.736 -11.504   1.375
  215    HD2  LYS  25           HD2      LYS  25  -4.853 -13.371   2.807
  216    HD3  LYS  25           HD3      LYS  25  -6.201 -13.847   1.772
  217    HE2  LYS  25           HE2      LYS  25  -5.162 -12.740  -0.116
  218    HE3  LYS  25           HE3      LYS  25  -3.828 -12.215   0.910
  219    HZ1  LYS  25           HZ1      LYS  25  -3.238 -14.530   1.271
  220    HZ2  LYS  25           HZ2      LYS  25  -3.247 -14.173  -0.387
  221    HZ3  LYS  25           HZ3      LYS  25  -4.531 -15.036   0.301
  222    H    VAL  26           H        VAL  26  -5.393  -6.995   2.100
  223    HA   VAL  26           HA       VAL  26  -2.883  -6.538   3.432
  224    HB   VAL  26           HB       VAL  26  -4.718  -4.524   2.091
  225   HG11  VAL  26          HG11      VAL  26  -1.781  -4.366   2.750
  226   HG12  VAL  26          HG12      VAL  26  -3.074  -3.500   3.581
  227   HG13  VAL  26          HG13      VAL  26  -2.717  -3.141   1.892
  228   HG21  VAL  26          HG21      VAL  26  -4.078  -6.276   0.531
  229   HG22  VAL  26          HG22      VAL  26  -2.379  -6.048   0.950
  230   HG23  VAL  26          HG23      VAL  26  -3.266  -4.760   0.133
  231    H    ILE  27           H        ILE  27  -2.564  -4.981   5.161
  232    HA   ILE  27           HA       ILE  27  -5.022  -4.460   6.697
  233    HB   ILE  27           HB       ILE  27  -3.687  -4.678   8.780
  234   HG12  ILE  27          HG12      ILE  27  -1.595  -5.876   6.945
  235   HG13  ILE  27          HG13      ILE  27  -1.448  -4.335   7.782
  236   HG21  ILE  27          HG21      ILE  27  -3.643  -7.145   8.775
  237   HG22  ILE  27          HG22      ILE  27  -3.853  -7.121   7.024
  238   HG23  ILE  27          HG23      ILE  27  -5.118  -6.483   8.072
  239   HD11  ILE  27          HD11      ILE  27  -1.676  -7.036   9.087
  240   HD12  ILE  27          HD12      ILE  27  -1.508  -5.492   9.927
  241   HD13  ILE  27          HD13      ILE  27  -0.200  -6.090   8.905
  242    H    GLN  28           H        GLN  28  -1.902  -3.302   5.640
  243    HA   GLN  28           HA       GLN  28  -2.600  -0.635   6.613
  244    HB2  GLN  28           HB2      GLN  28  -0.021  -2.093   7.178
  245    HB3  GLN  28           HB3      GLN  28  -0.171  -0.345   7.298
  246    HG2  GLN  28           HG2      GLN  28  -1.774  -2.356   8.863
  247    HG3  GLN  28           HG3      GLN  28  -0.399  -1.432   9.470
  248   HE21  GLN  28          HE21      GLN  28  -3.237  -1.519  10.300
  249   HE22  GLN  28          HE22      GLN  28  -3.798   0.124  10.220
  250    H    VAL  29           H        VAL  29  -1.654   1.072   5.497
  251    HA   VAL  29           HA       VAL  29  -0.136   0.365   3.073
  252    HB   VAL  29           HB       VAL  29  -2.182   2.583   3.359
  253   HG11  VAL  29          HG11      VAL  29  -0.315   3.294   1.961
  254   HG12  VAL  29          HG12      VAL  29  -1.763   3.040   0.988
  255   HG13  VAL  29          HG13      VAL  29  -0.475   1.835   0.982
  256   HG21  VAL  29          HG21      VAL  29  -3.404   1.341   1.616
  257   HG22  VAL  29          HG22      VAL  29  -3.229   0.420   3.109
  258   HG23  VAL  29          HG23      VAL  29  -2.206   0.053   1.720
  259    H    GLU  30           H        GLU  30   1.716   1.533   2.735
  260    HA   GLU  30           HA       GLU  30   2.274   3.716   4.612
  261    HB2  GLU  30           HB2      GLU  30   4.582   2.663   4.909
  262    HB3  GLU  30           HB3      GLU  30   3.233   1.907   5.748
  263    HG2  GLU  30           HG2      GLU  30   3.235   0.537   3.393
  264    HG3  GLU  30           HG3      GLU  30   4.957   0.871   3.620
  265    H    LEU  31           H        LEU  31   3.582   5.296   3.887
  266    HA   LEU  31           HA       LEU  31   4.525   5.086   1.115
  267    HB2  LEU  31           HB2      LEU  31   2.957   6.883   1.392
  268    HB3  LEU  31           HB3      LEU  31   3.787   7.458   2.825
  269    HG   LEU  31           HG       LEU  31   5.727   8.083   1.409
  270   HD11  LEU  31          HD11      LEU  31   3.895   7.357  -0.869
  271   HD12  LEU  31          HD12      LEU  31   5.379   6.518  -0.423
  272   HD13  LEU  31          HD13      LEU  31   5.448   8.178  -1.013
  273   HD21  LEU  31          HD21      LEU  31   4.669  10.042   0.413
  274   HD22  LEU  31          HD22      LEU  31   4.031   9.718   2.026
  275   HD23  LEU  31          HD23      LEU  31   3.087   9.286   0.599
  276    H    GLN  32           H        GLN  32   6.624   4.652   0.965
  277    HA   GLN  32           HA       GLN  32   8.463   5.163   3.097
  278    HB2  GLN  32           HB2      GLN  32   8.801   3.279   1.553
  279    HB3  GLN  32           HB3      GLN  32   8.990   4.402   0.213
  280    HG2  GLN  32           HG2      GLN  32  10.976   5.348   1.336
  281    HG3  GLN  32           HG3      GLN  32  10.812   4.123   2.592
  282   HE21  GLN  32          HE21      GLN  32  10.156   3.526  -0.785
  283   HE22  GLN  32          HE22      GLN  32  11.503   2.489  -1.066
  284    H    GLU  33           H        GLU  33   8.775   7.239   3.587
  285    HA   GLU  33           HA       GLU  33   9.052   9.291   1.618
  286    HB2  GLU  33           HB2      GLU  33   9.700   9.274   4.575
  287    HB3  GLU  33           HB3      GLU  33   9.750  10.702   3.548
  288    HG2  GLU  33           HG2      GLU  33   7.372  10.470   3.082
  289    HG3  GLU  33           HG3      GLU  33   7.310   9.022   4.084
  290    H    ALA  34           H        ALA  34  10.825   9.936   0.602
  291    HA   ALA  34           HA       ALA  34  12.834   7.952   0.345
  292    HB1  ALA  34           HB1      ALA  34  13.590   9.242  -1.545
  293    HB2  ALA  34           HB2      ALA  34  12.642  10.631  -1.011
  294    HB3  ALA  34           HB3      ALA  34  11.828   9.159  -1.540
  295    H    ASP  35           H        ASP  35  13.055   9.371   2.912
  296    HA   ASP  35           HA       ASP  35  15.817   9.694   3.055
  297    HB2  ASP  35           HB2      ASP  35  15.422  11.754   1.738
  298    HB3  ASP  35           HB3      ASP  35  14.351  12.345   3.006
  299    H    GLY  36           H        GLY  36  12.716  10.748   4.358
  300    HA2  GLY  36           HA2      GLY  36  13.522  11.364   6.961
  301    HA3  GLY  36           HA3      GLY  36  11.910  10.848   6.501
  302    H    ASP  37           H        ASP  37  12.877   8.248   5.514
  303    HA   ASP  37           HA       ASP  37  13.704   7.022   8.059
  304    HB2  ASP  37           HB2      ASP  37  11.224   6.723   7.420
  305    HB3  ASP  37           HB3      ASP  37  11.817   5.665   6.143
  306    H    CYS  38           H        CYS  38  13.331   6.442   4.579
  307    HA   CYS  38           HA       CYS  38  16.101   5.595   4.418
  308    HB2  CYS  38           HB2      CYS  38  13.762   3.802   3.910
  309    HB3  CYS  38           HB3      CYS  38  15.192   3.652   2.897
  310    H    HIS  39           H        HIS  39  16.815   5.410   2.120
  311    HA   HIS  39           HA       HIS  39  15.748   7.606   0.612
  312    HB2  HIS  39           HB2      HIS  39  17.474   7.096  -1.040
  313    HB3  HIS  39           HB3      HIS  39  18.156   7.095   0.580
  314    HD1  HIS  39           HD1      HIS  39  19.459   5.090   1.239
  315    HD2  HIS  39           HD2      HIS  39  17.089   4.386  -2.106
  316    HE1  HIS  39           HE1      HIS  39  20.140   2.822   0.393
  317    HE2  HIS  39           HE2      HIS  39  18.848   2.516  -1.753
  318    H    LEU  40           H        LEU  40  15.237   7.353  -1.758
  319    HA   LEU  40           HA       LEU  40  13.925   6.577  -3.434
  320    HB2  LEU  40           HB2      LEU  40  15.090   4.462  -3.353
  321    HB3  LEU  40           HB3      LEU  40  14.146   3.944  -1.972
  322    HG   LEU  40           HG       LEU  40  12.131   3.848  -3.368
  323   HD11  LEU  40          HD11      LEU  40  13.970   4.551  -5.652
  324   HD12  LEU  40          HD12      LEU  40  12.741   5.611  -4.964
  325   HD13  LEU  40          HD13      LEU  40  12.263   4.120  -5.774
  326   HD21  LEU  40          HD21      LEU  40  13.521   1.857  -3.119
  327   HD22  LEU  40          HD22      LEU  40  14.484   2.347  -4.512
  328   HD23  LEU  40          HD23      LEU  40  12.787   1.918  -4.722
  329    H    GLN  41           H        GLN  41  11.807   6.919  -3.761
  330    HA   GLN  41           HA       GLN  41  10.065   6.843  -1.402
  331    HB2  GLN  41           HB2      GLN  41  10.341   8.977  -2.701
  332    HB3  GLN  41           HB3      GLN  41   9.565   8.184  -4.063
  333    HG2  GLN  41           HG2      GLN  41   7.572   7.811  -2.617
  334    HG3  GLN  41           HG3      GLN  41   8.356   8.789  -1.378
  335   HE21  GLN  41          HE21      GLN  41   6.838  10.413  -1.394
  336   HE22  GLN  41          HE22      GLN  41   6.625  11.489  -2.732
  337    H    ALA  42           H        ALA  42   8.290   5.531  -1.318
  338    HA   ALA  42           HA       ALA  42   7.308   4.239  -3.712
  339    HB1  ALA  42           HB1      ALA  42   7.702   1.973  -2.977
  340    HB2  ALA  42           HB2      ALA  42   8.493   2.558  -1.514
  341    HB3  ALA  42           HB3      ALA  42   9.233   2.841  -3.089
  342    H    PHE  43           H        PHE  43   5.297   3.355  -3.506
  343    HA   PHE  43           HA       PHE  43   3.909   3.767  -0.959
  344    HB2  PHE  43           HB2      PHE  43   2.984   3.381  -3.795
  345    HB3  PHE  43           HB3      PHE  43   1.885   3.102  -2.451
  346    HD1  PHE  43           HD2      PHE  43   3.800   5.610  -4.302
  347    HD2  PHE  43           HD1      PHE  43   1.036   4.906  -1.148
  348    HE1  PHE  43           HE2      PHE  43   3.287   8.014  -4.226
  349    HE2  PHE  43           HE1      PHE  43   0.513   7.311  -1.062
  350    HZ   PHE  43           HZ       PHE  43   1.641   8.870  -2.603
  351    H    VAL  44           H        VAL  44   4.015   2.085   0.344
  352    HA   VAL  44           HA       VAL  44   4.334  -0.573  -0.857
  353    HB   VAL  44           HB       VAL  44   5.142   0.378   1.893
  354   HG11  VAL  44          HG11      VAL  44   6.383  -1.738   2.025
  355   HG12  VAL  44          HG12      VAL  44   5.705  -2.225   0.471
  356   HG13  VAL  44          HG13      VAL  44   4.646  -2.007   1.865
  357   HG21  VAL  44          HG21      VAL  44   6.462   1.452   0.185
  358   HG22  VAL  44          HG22      VAL  44   6.753  -0.094  -0.611
  359   HG23  VAL  44          HG23      VAL  44   7.441   0.221   0.986
  360    H    LEU  45           H        LEU  45   2.969  -2.179  -0.379
  361    HA   LEU  45           HA       LEU  45   0.672  -1.476   1.309
  362    HB2  LEU  45           HB2      LEU  45   0.864  -3.565  -0.864
  363    HB3  LEU  45           HB3      LEU  45  -0.587  -3.122   0.019
  364    HG   LEU  45           HG       LEU  45   0.949  -1.370  -1.898
  365   HD11  LEU  45          HD11      LEU  45  -1.780  -2.627  -2.070
  366   HD12  LEU  45          HD12      LEU  45  -0.365  -3.028  -3.045
  367   HD13  LEU  45          HD13      LEU  45  -1.132  -1.446  -3.208
  368   HD21  LEU  45          HD21      LEU  45  -1.522  -0.752  -0.291
  369   HD22  LEU  45          HD22      LEU  45  -0.814   0.277  -1.537
  370   HD23  LEU  45          HD23      LEU  45   0.078  -0.052  -0.051
  371    H    HIS  46           H        HIS  46   0.461  -2.455   3.173
  372    HA   HIS  46           HA       HIS  46   2.291  -4.686   3.741
  373    HB2  HIS  46           HB2      HIS  46   2.198  -2.328   4.990
  374    HB3  HIS  46           HB3      HIS  46   0.949  -3.152   5.917
  375    HD1  HIS  46           HD1      HIS  46   4.528  -2.662   5.743
  376    HD2  HIS  46           HD2      HIS  46   1.968  -5.640   7.145
  377    HE1  HIS  46           HE1      HIS  46   5.915  -4.091   7.294
  378    HE2  HIS  46           HE2      HIS  46   4.320  -5.820   8.213
  379    H    LEU  47           H        LEU  47   1.278  -6.567   3.560
  380    HA   LEU  47           HA       LEU  47  -1.538  -6.819   4.226
  381    HB2  LEU  47           HB2      LEU  47   0.469  -8.776   3.116
  382    HB3  LEU  47           HB3      LEU  47  -1.177  -9.215   3.519
  383    HG   LEU  47           HG       LEU  47  -1.930  -7.465   1.847
  384   HD11  LEU  47          HD11      LEU  47  -0.330  -6.827   0.120
  385   HD12  LEU  47          HD12      LEU  47   0.967  -7.603   1.027
  386   HD13  LEU  47          HD13      LEU  47   0.142  -6.196   1.697
  387   HD21  LEU  47          HD21      LEU  47  -1.540  -8.957  -0.062
  388   HD22  LEU  47          HD22      LEU  47  -2.010  -9.851   1.385
  389   HD23  LEU  47          HD23      LEU  47  -0.321  -9.825   0.872
  390    H    ALA  48           H        ALA  48  -2.157  -8.829   5.507
  391    HA   ALA  48           HA       ALA  48  -1.176  -8.508   8.127
  392    HB1  ALA  48           HB1      ALA  48  -2.798 -10.786   7.002
  393    HB2  ALA  48           HB2      ALA  48  -3.442  -9.273   7.640
  394    HB3  ALA  48           HB3      ALA  48  -2.602 -10.395   8.711
  395    H    GLN  49           H        GLN  49  -0.177 -10.567   5.545
  396    HA   GLN  49           HA       GLN  49   1.833 -11.745   7.295
  397    HB2  GLN  49           HB2      GLN  49   1.432 -13.815   5.604
  398    HB3  GLN  49           HB3      GLN  49   0.739 -13.700   7.207
  399    HG2  GLN  49           HG2      GLN  49  -0.882 -14.435   5.539
  400    HG3  GLN  49           HG3      GLN  49  -1.347 -12.915   6.290
  401   HE21  GLN  49          HE21      GLN  49  -1.886 -11.280   5.010
  402   HE22  GLN  49          HE22      GLN  49  -1.627 -11.215   3.302
  403    H    ARG  50           H        ARG  50   1.516  -9.727   4.928
  404    HA   ARG  50           HA       ARG  50   3.915 -10.589   3.531
  405    HB2  ARG  50           HB2      ARG  50   1.278 -10.065   2.165
  406    HB3  ARG  50           HB3      ARG  50   2.819  -9.998   1.320
  407    HG2  ARG  50           HG2      ARG  50   3.231 -12.331   1.954
  408    HG3  ARG  50           HG3      ARG  50   1.645 -12.385   2.717
  409    HD2  ARG  50           HD2      ARG  50   0.529 -12.093   0.664
  410    HD3  ARG  50           HD3      ARG  50   2.013 -11.623  -0.165
  411    HE   ARG  50           HE       ARG  50   1.934 -14.317   0.943
  412   HH11  ARG  50          HH11      ARG  50   1.568 -12.264  -1.868
  413   HH12  ARG  50          HH12      ARG  50   1.828 -13.545  -3.009
  414   HH21  ARG  50          HH21      ARG  50   2.280 -16.011  -0.541
  415   HH22  ARG  50          HH22      ARG  50   2.259 -15.681  -2.249
  416    H    SER  51           H        SER  51   4.692  -8.874   2.016
  417    HA   SER  51           HA       SER  51   3.576  -6.220   2.362
  418    HB2  SER  51           HB2      SER  51   6.471  -6.798   3.074
  419    HB3  SER  51           HB3      SER  51   5.712  -5.206   3.030
  420    HG   SER  51           HG       SER  51   4.285  -6.890   4.579
  421    H    ILE  52           H        ILE  52   3.525  -5.333   0.389
  422    HA   ILE  52           HA       ILE  52   5.544  -6.210  -1.579
  423    HB   ILE  52           HB       ILE  52   2.639  -5.500  -2.040
  424   HG12  ILE  52          HG12      ILE  52   2.843  -7.759  -3.336
  425   HG13  ILE  52          HG13      ILE  52   4.282  -7.996  -2.355
  426   HG21  ILE  52          HG21      ILE  52   3.942  -4.385  -3.743
  427   HG22  ILE  52          HG22      ILE  52   3.078  -5.754  -4.444
  428   HG23  ILE  52          HG23      ILE  52   4.804  -5.881  -4.102
  429   HD11  ILE  52          HD11      ILE  52   2.346  -9.093  -1.386
  430   HD12  ILE  52          HD12      ILE  52   1.496  -7.548  -1.316
  431   HD13  ILE  52          HD13      ILE  52   2.939  -7.808  -0.334
  432    H    CYS  53           H        CYS  53   6.732  -4.659  -2.518
  433    HA   CYS  53           HA       CYS  53   6.117  -1.909  -1.725
  434    HB2  CYS  53           HB2      CYS  53   8.331  -2.899  -1.069
  435    HB3  CYS  53           HB3      CYS  53   8.738  -2.987  -2.780
  436    H    ILE  54           H        ILE  54   5.370  -0.566  -3.161
  437    HA   ILE  54           HA       ILE  54   5.785  -1.121  -6.023
  438    HB   ILE  54           HB       ILE  54   3.332  -0.234  -4.529
  439   HG12  ILE  54          HG12      ILE  54   3.810  -2.360  -6.628
  440   HG13  ILE  54          HG13      ILE  54   3.608  -2.631  -4.900
  441   HG21  ILE  54          HG21      ILE  54   2.261   0.317  -6.652
  442   HG22  ILE  54          HG22      ILE  54   3.804   0.093  -7.480
  443   HG23  ILE  54          HG23      ILE  54   3.618   1.382  -6.289
  444   HD11  ILE  54          HD11      ILE  54   1.520  -1.543  -6.783
  445   HD12  ILE  54          HD12      ILE  54   1.313  -1.789  -5.047
  446   HD13  ILE  54          HD13      ILE  54   1.578  -3.174  -6.108
  447    H    HIS  55           H        HIS  55   6.463   0.595  -7.272
  448    HA   HIS  55           HA       HIS  55   7.296   2.981  -5.905
  449    HB2  HIS  55           HB2      HIS  55   8.416   3.597  -7.872
  450    HB3  HIS  55           HB3      HIS  55   8.495   1.843  -7.891
  451    HD1  HIS  55           HD1      HIS  55   7.278   4.745  -9.788
  452    HD2  HIS  55           HD2      HIS  55   6.747   0.622  -9.843
  453    HE1  HIS  55           HE1      HIS  55   6.225   4.229 -12.012
  454    HE2  HIS  55           HE2      HIS  55   6.092   1.715 -12.100
  455    HA   PRO  56           HA       PRO  56   3.755   5.536  -6.378
  456    HB2  PRO  56           HB2      PRO  56   5.536   7.669  -7.416
  457    HB3  PRO  56           HB3      PRO  56   4.450   7.693  -6.024
  458    HG2  PRO  56           HG2      PRO  56   7.101   7.538  -5.706
  459    HG3  PRO  56           HG3      PRO  56   5.990   6.660  -4.637
  460    HD2  PRO  56           HD2      PRO  56   7.655   5.635  -6.900
  461    HD3  PRO  56           HD3      PRO  56   7.268   4.874  -5.347
  462    H    GLN  57           H        GLN  57   2.372   6.454  -7.921
  463    HA   GLN  57           HA       GLN  57   1.323   6.579  -9.914
  464    HB2  GLN  57           HB2      GLN  57   3.194   8.131 -10.470
  465    HB3  GLN  57           HB3      GLN  57   4.089   6.767 -11.125
  466    HG2  GLN  57           HG2      GLN  57   2.408   6.433 -12.824
  467    HG3  GLN  57           HG3      GLN  57   1.417   7.716 -12.134
  468   HE21  GLN  57          HE21      GLN  57   4.900   7.899 -12.367
  469   HE22  GLN  57          HE22      GLN  57   4.943   9.142 -13.575
  470    H    ASN  58           H        ASN  58   0.871   4.334  -9.276
  471    HA   ASN  58           HA       ASN  58   1.596   2.534 -11.462
  472    HB2  ASN  58           HB2      ASN  58   3.040   1.882  -9.606
  473    HB3  ASN  58           HB3      ASN  58   1.656   1.817  -8.519
  474   HD21  ASN  58          HD21      ASN  58   3.268   0.295 -11.204
  475   HD22  ASN  58          HD22      ASN  58   2.471  -1.234 -11.057
  476    HA   PRO  59           HA       PRO  59  -2.789   2.157 -11.862
  477    HB2  PRO  59           HB2      PRO  59  -2.686  -0.566 -12.621
  478    HB3  PRO  59           HB3      PRO  59  -2.720   0.834 -13.697
  479    HG2  PRO  59           HG2      PRO  59  -0.409  -0.789 -12.765
  480    HG3  PRO  59           HG3      PRO  59  -0.654   0.042 -14.312
  481    HD2  PRO  59           HD2      PRO  59   1.013   1.020 -12.468
  482    HD3  PRO  59           HD3      PRO  59   0.000   2.099 -13.453
  483    H    SER  60           H        SER  60  -1.142  -0.681 -10.436
  484    HA   SER  60           HA       SER  60  -3.427  -1.665  -9.120
  485    HB2  SER  60           HB2      SER  60  -1.342  -2.966  -9.653
  486    HB3  SER  60           HB3      SER  60  -0.560  -2.132  -8.308
  487    HG   SER  60           HG       SER  60  -2.596  -2.984  -7.149
  488    H    LEU  61           H        LEU  61  -0.840   0.476  -8.087
  489    HA   LEU  61           HA       LEU  61  -1.563   0.578  -5.358
  490    HB2  LEU  61           HB2      LEU  61   0.601   1.338  -6.649
  491    HB3  LEU  61           HB3      LEU  61  -0.240   2.869  -6.760
  492    HG   LEU  61           HG       LEU  61   1.370   2.766  -4.883
  493   HD11  LEU  61          HD11      LEU  61  -0.484   4.301  -4.756
  494   HD12  LEU  61          HD12      LEU  61  -0.137   3.634  -3.161
  495   HD13  LEU  61          HD13      LEU  61  -1.515   3.039  -4.085
  496   HD21  LEU  61          HD21      LEU  61   0.832   1.430  -2.903
  497   HD22  LEU  61          HD22      LEU  61   1.156   0.416  -4.313
  498   HD23  LEU  61          HD23      LEU  61  -0.506   0.679  -3.782
  499    H    SER  62           H        SER  62  -2.309   2.719  -8.112
  500    HA   SER  62           HA       SER  62  -3.959   4.521  -6.719
  501    HB2  SER  62           HB2      SER  62  -4.035   3.684  -9.630
  502    HB3  SER  62           HB3      SER  62  -4.843   5.102  -8.958
  503    HG   SER  62           HG       SER  62  -2.526   5.196  -9.927
  504    H    GLN  63           H        GLN  63  -4.731   1.571  -8.536
  505    HA   GLN  63           HA       GLN  63  -7.498   1.582  -8.196
  506    HB2  GLN  63           HB2      GLN  63  -5.585  -0.751  -8.329
  507    HB3  GLN  63           HB3      GLN  63  -7.333  -0.910  -8.399
  508    HG2  GLN  63           HG2      GLN  63  -7.273   0.588 -10.419
  509    HG3  GLN  63           HG3      GLN  63  -5.518   0.412 -10.390
  510   HE21  GLN  63          HE21      GLN  63  -8.540  -1.194 -10.857
  511   HE22  GLN  63          HE22      GLN  63  -7.922  -2.608 -11.646
  512    H    TRP  64           H        TRP  64  -4.913   0.485  -6.067
  513    HA   TRP  64           HA       TRP  64  -6.638  -0.736  -4.199
  514    HB2  TRP  64           HB2      TRP  64  -4.232  -1.296  -4.348
  515    HB3  TRP  64           HB3      TRP  64  -3.846   0.300  -3.706
  516    HD1  TRP  64           HD1      TRP  64  -3.063  -0.075  -1.272
  517    HE1  TRP  64           HE1      TRP  64  -3.984  -1.349   0.765
  518    HE3  TRP  64           HE3      TRP  64  -7.019  -2.440  -3.494
  519    HZ2  TRP  64           HZ2      TRP  64  -6.103  -3.118   1.347
  520    HZ3  TRP  64           HZ3      TRP  64  -8.439  -3.887  -2.131
  521    HH2  TRP  64           HH2      TRP  64  -7.990  -4.224   0.234
  522    H    PHE  65           H        PHE  65  -5.477   2.562  -4.547
  523    HA   PHE  65           HA       PHE  65  -6.178   3.586  -2.071
  524    HB2  PHE  65           HB2      PHE  65  -6.340   4.801  -4.824
  525    HB3  PHE  65           HB3      PHE  65  -6.799   5.712  -3.391
  526    HD1  PHE  65           HD1      PHE  65  -4.499   4.147  -1.771
  527    HD2  PHE  65           HD2      PHE  65  -4.679   6.537  -5.287
  528    HE1  PHE  65           HE1      PHE  65  -2.166   4.840  -1.417
  529    HE2  PHE  65           HE2      PHE  65  -2.344   7.220  -4.947
  530    HZ   PHE  65           HZ       PHE  65  -1.084   6.381  -3.007
  531    H    GLU  66           H        GLU  66  -8.266   3.312  -4.947
  532    HA   GLU  66           HA       GLU  66 -10.598   4.074  -3.470
  533    HB2  GLU  66           HB2      GLU  66 -10.384   2.810  -6.210
  534    HB3  GLU  66           HB3      GLU  66 -11.828   3.553  -5.529
  535    HG2  GLU  66           HG2      GLU  66 -10.510   5.683  -5.338
  536    HG3  GLU  66           HG3      GLU  66  -9.252   4.894  -6.286
  537    H    HIS  67           H        HIS  67  -9.139   1.018  -4.424
  538    HA   HIS  67           HA       HIS  67 -11.404  -0.585  -3.824
  539    HB2  HIS  67           HB2      HIS  67  -8.514  -1.190  -4.307
  540    HB3  HIS  67           HB3      HIS  67  -9.561  -2.440  -3.646
  541    HD1  HIS  67           HD1      HIS  67  -9.776  -3.967  -5.645
  542    HD2  HIS  67           HD2      HIS  67 -10.608   0.015  -6.547
  543    HE1  HIS  67           HE1      HIS  67 -10.670  -3.968  -7.992
  544    HE2  HIS  67           HE2      HIS  67 -11.335  -1.580  -8.450
  545    H    GLN  68           H        GLN  68  -8.568   0.367  -1.906
  546    HA   GLN  68           HA       GLN  68  -9.134  -1.312   0.301
  547    HB2  GLN  68           HB2      GLN  68  -7.555  -0.009   1.549
  548    HB3  GLN  68           HB3      GLN  68  -6.942  -0.164  -0.091
  549    HG2  GLN  68           HG2      GLN  68  -7.730   2.089  -0.603
  550    HG3  GLN  68           HG3      GLN  68  -8.350   2.245   1.039
  551   HE21  GLN  68          HE21      GLN  68  -6.367   3.834  -0.371
  552   HE22  GLN  68          HE22      GLN  68  -4.927   3.760   0.578
  553    H    GLU  69           H        GLU  69 -10.241   1.858  -0.635
  554    HA   GLU  69           HA       GLU  69 -11.414   2.616   1.813
  555    HB2  GLU  69           HB2      GLU  69 -10.969   4.175  -0.041
  556    HB3  GLU  69           HB3      GLU  69 -12.213   3.385  -1.000
  557    HG2  GLU  69           HG2      GLU  69 -13.895   4.053   0.660
  558    HG3  GLU  69           HG3      GLU  69 -12.635   4.886   1.573
  559    H    ARG  70           H        ARG  70 -12.446   0.492  -0.741
  560    HA   ARG  70           HA       ARG  70 -15.023   0.108   0.636
  561    HB2  ARG  70           HB2      ARG  70 -15.837  -0.780  -1.569
  562    HB3  ARG  70           HB3      ARG  70 -15.432   0.931  -1.560
  563    HG2  ARG  70           HG2      ARG  70 -13.210   0.314  -2.540
  564    HG3  ARG  70           HG3      ARG  70 -13.828  -1.327  -2.731
  565    HD2  ARG  70           HD2      ARG  70 -15.096   1.144  -3.908
  566    HD3  ARG  70           HD3      ARG  70 -14.031   0.045  -4.782
  567    HE   ARG  70           HE       ARG  70 -16.041  -1.539  -3.770
  568   HH11  ARG  70          HH11      ARG  70 -15.915   1.281  -5.856
  569   HH12  ARG  70          HH12      ARG  70 -17.294   0.799  -6.802
  570   HH21  ARG  70          HH21      ARG  70 -17.849  -2.162  -4.989
  571   HH22  ARG  70          HH22      ARG  70 -18.411  -1.165  -6.300
  572    H    LYS  71           H        LYS  71 -12.408  -1.177   1.227
  573    HA   LYS  71           HA       LYS  71 -13.334  -3.946   1.159
  574    HB2  LYS  71           HB2      LYS  71 -11.655  -3.229  -0.795
  575    HB3  LYS  71           HB3      LYS  71 -10.468  -3.501   0.468
  576    HG2  LYS  71           HG2      LYS  71 -11.189  -5.794   0.707
  577    HG3  LYS  71           HG3      LYS  71 -12.493  -5.534  -0.450
  578    HD2  LYS  71           HD2      LYS  71  -9.573  -5.180  -1.112
  579    HD3  LYS  71           HD3      LYS  71 -10.462  -6.679  -1.383
  580    HE2  LYS  71           HE2      LYS  71 -11.431  -4.070  -2.502
  581    HE3  LYS  71           HE3      LYS  71 -10.220  -5.031  -3.344
  582    HZ1  LYS  71           HZ1      LYS  71 -12.818  -6.174  -2.487
  583    HZ2  LYS  71           HZ2      LYS  71 -11.710  -6.795  -3.615
  584    HZ3  LYS  71           HZ3      LYS  71 -12.615  -5.411  -3.989
  585    H    LEU  72           H        LEU  72 -11.100  -5.170   2.323
  586    HA   LEU  72           HA       LEU  72 -10.252  -5.592   4.379
  587    HB2  LEU  72           HB2      LEU  72  -9.738  -2.683   4.008
  588    HB3  LEU  72           HB3      LEU  72  -9.426  -3.388   5.583
  589    HG   LEU  72           HG       LEU  72  -7.760  -4.842   4.703
  590   HD11  LEU  72          HD11      LEU  72  -8.883  -5.489   2.640
  591   HD12  LEU  72          HD12      LEU  72  -7.225  -4.973   2.331
  592   HD13  LEU  72          HD13      LEU  72  -8.568  -3.890   1.966
  593   HD21  LEU  72          HD21      LEU  72  -7.054  -2.544   5.081
  594   HD22  LEU  72          HD22      LEU  72  -7.484  -2.134   3.420
  595   HD23  LEU  72          HD23      LEU  72  -6.170  -3.268   3.736
  596    H    HIS  73           H        HIS  73 -11.635  -2.443   5.182
  597    HA   HIS  73           HA       HIS  73 -13.781  -3.318   6.754
  598    HB2  HIS  73           HB2      HIS  73 -11.995  -4.338   8.139
  599    HB3  HIS  73           HB3      HIS  73 -11.244  -2.764   8.318
  600    HD1  HIS  73           HD1      HIS  73 -11.563  -2.137  10.669
  601    HD2  HIS  73           HD2      HIS  73 -15.021  -3.761   9.023
  602    HE1  HIS  73           HE1      HIS  73 -13.328  -1.924  12.451
  603    HE2  HIS  73           HE2      HIS  73 -15.393  -2.990  11.469
  604    H    GLY  74           H        GLY  74 -11.418  -1.012   5.807
  605    HA2  GLY  74           HA2      GLY  74 -11.978   1.244   5.298
  606    HA3  GLY  74           HA3      GLY  74 -13.259   1.165   6.503
  607    H    THR  75           H        THR  75 -11.073  -0.289   8.181
  608    HA   THR  75           HA       THR  75 -10.200   2.109   9.521
  609    HB   THR  75           HB       THR  75  -9.124   0.408  11.095
  610    HG1  THR  75           HG1      THR  75  -9.079  -1.511  10.122
  611   HG21  THR  75          HG21      THR  75 -11.264   1.542  11.558
  612   HG22  THR  75          HG22      THR  75 -11.250  -0.112  12.171
  613   HG23  THR  75          HG23      THR  75 -12.113   0.267  10.680
  614    H    LEU  76           H        LEU  76  -8.658   3.084   8.315
  615    HA   LEU  76           HA       LEU  76  -6.122   1.722   7.954
  616    HB2  LEU  76           HB2      LEU  76  -7.732   3.017   5.744
  617    HB3  LEU  76           HB3      LEU  76  -6.029   2.634   5.601
  618    HG   LEU  76           HG       LEU  76  -8.110   0.535   6.181
  619   HD11  LEU  76          HD11      LEU  76  -8.067   0.001   3.805
  620   HD12  LEU  76          HD12      LEU  76  -7.010   1.379   3.500
  621   HD13  LEU  76          HD13      LEU  76  -8.660   1.642   4.064
  622   HD21  LEU  76          HD21      LEU  76  -6.372  -0.964   5.333
  623   HD22  LEU  76          HD22      LEU  76  -5.805  -0.040   6.723
  624   HD23  LEU  76          HD23      LEU  76  -5.299   0.415   5.095
  625    HA   PRO  77           HA       PRO  77  -4.165   5.708   8.814
  626    HB2  PRO  77           HB2      PRO  77  -3.242   5.290   6.052
  627    HB3  PRO  77           HB3      PRO  77  -2.318   5.898   7.422
  628    HG2  PRO  77           HG2      PRO  77  -2.012   3.391   6.673
  629    HG3  PRO  77           HG3      PRO  77  -2.185   3.763   8.400
  630    HD2  PRO  77           HD2      PRO  77  -4.144   2.545   6.521
  631    HD3  PRO  77           HD3      PRO  77  -3.937   2.291   8.267
  632    H    LYS  78           H        LYS  78  -5.185   7.630   8.687
  633    HA   LYS  78           HA       LYS  78  -7.102   8.067   6.549
  634    HB2  LYS  78           HB2      LYS  78  -6.494   9.799   8.950
  635    HB3  LYS  78           HB3      LYS  78  -7.920   9.885   7.923
  636    HG2  LYS  78           HG2      LYS  78  -8.661   7.725   8.690
  637    HG3  LYS  78           HG3      LYS  78  -7.179   7.515   9.624
  638    HD2  LYS  78           HD2      LYS  78  -7.821   9.574  10.913
  639    HD3  LYS  78           HD3      LYS  78  -9.383   9.513  10.092
  640    HE2  LYS  78           HE2      LYS  78  -9.735   7.247  10.980
  641    HE3  LYS  78           HE3      LYS  78  -8.200   7.358  11.841
  642    HZ1  LYS  78           HZ1      LYS  78 -10.634   8.997  12.283
  643    HZ2  LYS  78           HZ2      LYS  78  -9.130   9.339  12.991
  644    HZ3  LYS  78           HZ3      LYS  78  -9.923   7.889  13.359
  645    H    LEU  79           H        LEU  79  -4.791   8.070   5.417
  646    HA   LEU  79           HA       LEU  79  -3.564  10.706   5.367
  647    HB2  LEU  79           HB2      LEU  79  -1.950   9.530   3.792
  648    HB3  LEU  79           HB3      LEU  79  -1.967   9.007   5.463
  649    HG   LEU  79           HG       LEU  79  -3.555   7.137   4.652
  650   HD11  LEU  79          HD11      LEU  79  -3.269   6.453   2.342
  651   HD12  LEU  79          HD12      LEU  79  -2.309   7.898   2.021
  652   HD13  LEU  79          HD13      LEU  79  -4.017   8.050   2.438
  653   HD21  LEU  79          HD21      LEU  79  -0.686   7.131   3.776
  654   HD22  LEU  79          HD22      LEU  79  -1.696   5.721   4.109
  655   HD23  LEU  79          HD23      LEU  79  -1.261   6.826   5.413
  656    H    ASN  80           H        ASN  80  -6.203  10.450   4.339
  657    HA   ASN  80           HA       ASN  80  -7.450  11.288   2.637
  658    HB2  ASN  80           HB2      ASN  80  -5.508  12.903   2.370
  659    HB3  ASN  80           HB3      ASN  80  -4.863  11.815   1.151
  660   HD21  ASN  80          HD21      ASN  80  -7.379  14.023   1.966
  661   HD22  ASN  80          HD22      ASN  80  -7.951  14.296   0.358
  662    H    PHE  81           H        PHE  81  -6.060   8.651   2.864
  663    HA   PHE  81           HA       PHE  81  -5.768   6.683   1.807
  664    HB2  PHE  81           HB2      PHE  81  -8.351   7.681   0.649
  665    HB3  PHE  81           HB3      PHE  81  -7.733   6.067   0.351
  666    HD1  PHE  81           HD2      PHE  81  -6.515   5.740   3.184
  667    HD2  PHE  81           HD1      PHE  81 -10.336   6.977   1.760
  668    HE1  PHE  81           HE2      PHE  81  -7.541   4.977   5.280
  669    HE2  PHE  81           HE1      PHE  81 -11.368   6.214   3.859
  670    HZ   PHE  81           HZ       PHE  81  -9.971   5.209   5.622
  671    H    GLY  82           H        GLY  82  -4.325   8.825   0.597
  672    HA2  GLY  82           HA2      GLY  82  -3.079   7.654  -1.455
  673    HA3  GLY  82           HA3      GLY  82  -4.492   8.324  -2.254
  674    H    MET  83           H        MET  83  -4.526  10.621  -0.384
  675    HA   MET  83           HA       MET  83  -3.766  12.738  -0.231
  676    HB2  MET  83           HB2      MET  83  -1.161  11.859  -1.445
  677    HB3  MET  83           HB3      MET  83  -1.476  13.292  -0.487
  678    HG2  MET  83           HG2      MET  83  -1.870  11.919   1.469
  679    HG3  MET  83           HG3      MET  83  -1.586  10.473   0.504
  680    HE1  MET  83           HE1      MET  83   2.180  10.926  -0.498
  681    HE2  MET  83           HE2      MET  83   0.761  11.487  -1.384
  682    HE3  MET  83           HE3      MET  83   0.755   9.894  -0.630
  683    H    LEU  84           H        LEU  84  -2.566  11.215  -3.133
  684    HA   LEU  84           HA       LEU  84  -3.284  13.594  -4.635
  685    HB2  LEU  84           HB2      LEU  84  -1.905  12.598  -6.482
  686    HB3  LEU  84           HB3      LEU  84  -1.059  13.129  -5.048
  687    HG   LEU  84           HG       LEU  84  -0.340  10.943  -6.213
  688   HD11  LEU  84          HD11      LEU  84  -0.695  11.300  -3.267
  689   HD12  LEU  84          HD12      LEU  84   0.737  11.578  -4.256
  690   HD13  LEU  84          HD13      LEU  84   0.179   9.932  -3.954
  691   HD21  LEU  84          HD21      LEU  84  -2.730   9.949  -4.668
  692   HD22  LEU  84          HD22      LEU  84  -1.418   8.919  -5.242
  693   HD23  LEU  84          HD23      LEU  84  -2.422   9.793  -6.398
  694    H    ARG  85           H        ARG  85  -4.863  10.931  -3.812
  695    HA   ARG  85           HA       ARG  85  -5.726   9.998  -6.351
  696    HB2  ARG  85           HB2      ARG  85  -7.571   8.844  -5.088
  697    HB3  ARG  85           HB3      ARG  85  -5.936   8.395  -4.637
  698    HG2  ARG  85           HG2      ARG  85  -6.057   9.513  -2.608
  699    HG3  ARG  85           HG3      ARG  85  -7.451  10.470  -3.116
  700    HD2  ARG  85           HD2      ARG  85  -7.460   7.490  -2.715
  701    HD3  ARG  85           HD3      ARG  85  -7.976   8.652  -1.497
  702    HE   ARG  85           HE       ARG  85  -9.338   8.758  -4.070
  703   HH11  ARG  85          HH11      ARG  85  -9.364   7.688  -0.734
  704   HH12  ARG  85          HH12      ARG  85 -11.074   7.366  -0.711
  705   HH21  ARG  85          HH21      ARG  85 -11.576   8.331  -4.053
  706   HH22  ARG  85          HH22      ARG  85 -12.326   7.740  -2.600
  707    H    LYS  86           H        LYS  86  -6.820  11.098  -7.711
  708    HA   LYS  86           HA       LYS  86  -8.305  12.482  -8.692
  709    HB2  LYS  86           HB2      LYS  86  -9.736  12.666  -6.037
  710    HB3  LYS  86           HB3      LYS  86 -10.382  13.085  -7.618
  711    HG2  LYS  86           HG2      LYS  86  -9.734  10.357  -6.546
  712    HG3  LYS  86           HG3      LYS  86 -11.303  10.995  -7.038
  713    HD2  LYS  86           HD2      LYS  86 -10.565  11.078  -9.356
  714    HD3  LYS  86           HD3      LYS  86  -8.962  10.509  -8.881
  715    HE2  LYS  86           HE2      LYS  86 -10.058   8.455  -7.976
  716    HE3  LYS  86           HE3      LYS  86 -11.569   9.016  -8.690
  717    HZ1  LYS  86           HZ1      LYS  86 -10.370   9.056 -10.861
  718    HZ2  LYS  86           HZ2      LYS  86 -10.591   7.511 -10.205
  719    HZ3  LYS  86           HZ3      LYS  86  -9.074   8.267 -10.102
  720    H    MET  87           H        MET  87  -6.067  13.260  -6.660
  721    HA   MET  87           HA       MET  87  -6.727  16.090  -6.312
  722    HB2  MET  87           HB2      MET  87  -5.898  14.870  -4.353
  723    HB3  MET  87           HB3      MET  87  -4.445  14.420  -5.237
  724    HG2  MET  87           HG2      MET  87  -3.874  16.205  -3.787
  725    HG3  MET  87           HG3      MET  87  -3.917  16.866  -5.419
  726    HE1  MET  87           HE1      MET  87  -5.740  16.636  -1.954
  727    HE2  MET  87           HE2      MET  87  -6.923  15.945  -3.063
  728    HE3  MET  87           HE3      MET  87  -7.243  17.494  -2.283
  729    H    GLY  88           H        GLY  88  -4.641  13.899  -8.001
  730    HA2  GLY  88           HA2      GLY  88  -3.656  16.143  -9.618
  731    HA3  GLY  88           HA3      GLY  88  -2.509  14.974  -8.972
  Start of MODEL   13
    1    H1   PHE   1           HT1      PHE   1  16.263 -12.224   8.164
    2    H2   PHE   1           HT2      PHE   1  15.045 -12.982   7.263
    3    H3   PHE   1           HT3      PHE   1  14.663 -12.211   8.723
    4    HA   PHE   1           HA       PHE   1  15.309 -10.077   7.786
    5    HB2  PHE   1           HB2      PHE   1  16.856 -11.181   6.083
    6    HB3  PHE   1           HB3      PHE   1  15.411 -11.542   5.146
    7    HD1  PHE   1           HD1      PHE   1  17.636  -8.900   6.344
    8    HD2  PHE   1           HD2      PHE   1  14.228  -9.813   3.968
    9    HE1  PHE   1           HE1      PHE   1  17.774  -6.675   5.306
   10    HE2  PHE   1           HE2      PHE   1  14.354  -7.588   2.923
   11    HZ   PHE   1           HZ       PHE   1  16.129  -6.015   3.594
   12    H    LEU   2           H        LEU   2  13.437  -9.113   7.918
   13    HA   LEU   2           HA       LEU   2  11.323  -9.780   6.053
   14    HB2  LEU   2           HB2      LEU   2   9.596  -9.931   7.757
   15    HB3  LEU   2           HB3      LEU   2  10.799 -11.175   8.009
   16    HG   LEU   2           HG       LEU   2  11.788  -9.406   9.717
   17   HD11  LEU   2          HD11      LEU   2  10.189  -7.647   9.183
   18   HD12  LEU   2          HD12      LEU   2  10.029  -8.172  10.859
   19   HD13  LEU   2          HD13      LEU   2   8.859  -8.705   9.653
   20   HD21  LEU   2          HD21      LEU   2   9.376 -11.123  10.284
   21   HD22  LEU   2          HD22      LEU   2  10.503 -10.497  11.487
   22   HD23  LEU   2          HD23      LEU   2  11.056 -11.660  10.281
   23    H    LEU   3           H        LEU   3  10.015  -8.007   5.594
   24    HA   LEU   3           HA       LEU   3  11.092  -5.449   6.336
   25    HB2  LEU   3           HB2      LEU   3   8.797  -6.339   4.625
   26    HB3  LEU   3           HB3      LEU   3   8.932  -4.658   5.098
   27    HG   LEU   3           HG       LEU   3   9.858  -4.964   2.887
   28   HD11  LEU   3          HD11      LEU   3  12.015  -4.510   4.941
   29   HD12  LEU   3          HD12      LEU   3  10.903  -3.299   4.302
   30   HD13  LEU   3          HD13      LEU   3  12.096  -4.047   3.239
   31   HD21  LEU   3          HD21      LEU   3  10.445  -7.314   2.996
   32   HD22  LEU   3          HD22      LEU   3  11.720  -6.963   4.161
   33   HD23  LEU   3          HD23      LEU   3  11.845  -6.357   2.511
   34    HA   PRO   4           HA       PRO   4   8.755  -5.411  10.151
   35    HB2  PRO   4           HB2      PRO   4   9.941  -2.729  10.419
   36    HB3  PRO   4           HB3      PRO   4  10.082  -4.132  11.482
   37    HG2  PRO   4           HG2      PRO   4  12.132  -3.295   9.964
   38    HG3  PRO   4           HG3      PRO   4  11.860  -5.013  10.306
   39    HD2  PRO   4           HD2      PRO   4  11.240  -3.446   7.833
   40    HD3  PRO   4           HD3      PRO   4  11.879  -5.101   7.996
   41    HA   PRO   5           HA       PRO   5   5.086  -3.234   8.891
   42    HB2  PRO   5           HB2      PRO   5   4.681  -3.020  11.833
   43    HB3  PRO   5           HB3      PRO   5   3.592  -3.640  10.586
   44    HG2  PRO   5           HG2      PRO   5   4.870  -5.309  12.212
   45    HG3  PRO   5           HG3      PRO   5   4.659  -5.699  10.494
   46    HD2  PRO   5           HD2      PRO   5   7.086  -4.714  11.932
   47    HD3  PRO   5           HD3      PRO   5   6.958  -5.893  10.611
   48    H    SER   6           H        SER   6   5.110  -1.201   8.224
   49    HA   SER   6           HA       SER   6   5.113   1.062   8.211
   50    HB2  SER   6           HB2      SER   6   5.353   0.923  11.225
   51    HB3  SER   6           HB3      SER   6   4.818   2.305  10.267
   52    HG   SER   6           HG       SER   6   3.005   1.120   9.631
   53    H    THR   7           H        THR   7   7.599  -0.817   8.938
   54    HA   THR   7           HA       THR   7   9.515   1.419   8.924
   55    HB   THR   7           HB       THR   7  10.181  -1.334   9.962
   56    HG1  THR   7           HG1      THR   7   8.470   0.419  11.068
   57   HG21  THR   7          HG21      THR   7  11.327   1.399  10.559
   58   HG22  THR   7          HG22      THR   7  12.028   0.223   9.448
   59   HG23  THR   7          HG23      THR   7  11.929  -0.141  11.170
   60    H    ALA   8           H        ALA   8   8.218   0.342   6.728
   61    HA   ALA   8           HA       ALA   8   9.722  -1.692   5.432
   62    HB1  ALA   8           HB1      ALA   8   7.713   0.248   4.282
   63    HB2  ALA   8           HB2      ALA   8   7.339  -1.338   4.957
   64    HB3  ALA   8           HB3      ALA   8   8.322  -1.211   3.497
   65    H    CYS   9           H        CYS   9  11.605  -1.415   4.560
   66    HA   CYS   9           HA       CYS   9  12.269   1.160   3.348
   67    HB2  CYS   9           HB2      CYS   9  13.300   0.922   5.606
   68    HB3  CYS   9           HB3      CYS   9  14.137  -0.509   5.030
   69    H    CYS  10           H        CYS  10  11.560   0.058   1.495
   70    HA   CYS  10           HA       CYS  10  12.883  -2.388   0.689
   71    HB2  CYS  10           HB2      CYS  10  10.709  -0.775  -0.660
   72    HB3  CYS  10           HB3      CYS  10  11.245  -2.383  -1.134
   73    H    THR  11           H        THR  11  14.665  -2.361  -0.467
   74    HA   THR  11           HA       THR  11  15.151  -0.175  -2.352
   75    HB   THR  11           HB       THR  11  17.373  -1.428  -2.658
   76    HG1  THR  11           HG1      THR  11  17.134  -2.593  -0.177
   77   HG21  THR  11          HG21      THR  11  18.306  -0.548  -0.539
   78   HG22  THR  11          HG22      THR  11  16.664  -0.307   0.062
   79   HG23  THR  11          HG23      THR  11  17.237   0.606  -1.334
   80    H    GLN  12           H        GLN  12  13.272  -2.635  -2.336
   81    HA   GLN  12           HA       GLN  12  13.914  -3.611  -5.036
   82    HB2  GLN  12           HB2      GLN  12  12.106  -5.274  -3.410
   83    HB3  GLN  12           HB3      GLN  12  13.424  -5.756  -4.463
   84    HG2  GLN  12           HG2      GLN  12  14.058  -6.476  -2.341
   85    HG3  GLN  12           HG3      GLN  12  14.982  -4.999  -2.600
   86   HE21  GLN  12          HE21      GLN  12  11.573  -4.997  -1.845
   87   HE22  GLN  12          HE22      GLN  12  11.726  -4.348  -0.252
   88    H    LEU  13           H        LEU  13  12.411  -3.104  -6.525
   89    HA   LEU  13           HA       LEU  13   9.759  -2.277  -5.547
   90    HB2  LEU  13           HB2      LEU  13  11.215  -1.501  -8.073
   91    HB3  LEU  13           HB3      LEU  13   9.601  -0.973  -7.639
   92    HG   LEU  13           HG       LEU  13  12.078  -0.345  -6.026
   93   HD11  LEU  13          HD11      LEU  13  12.207   0.752  -8.180
   94   HD12  LEU  13          HD12      LEU  13  11.837   1.931  -6.921
   95   HD13  LEU  13          HD13      LEU  13  10.563   1.359  -7.996
   96   HD21  LEU  13          HD21      LEU  13  10.034  -0.372  -4.705
   97   HD22  LEU  13          HD22      LEU  13   9.254   0.699  -5.867
   98   HD23  LEU  13          HD23      LEU  13  10.616   1.279  -4.912
   99    H    TYR  14           H        TYR  14   8.313  -3.820  -5.796
  100    HA   TYR  14           HA       TYR  14   8.610  -6.033  -7.536
  101    HB2  TYR  14           HB2      TYR  14   7.294  -5.964  -5.379
  102    HB3  TYR  14           HB3      TYR  14   6.050  -5.065  -6.243
  103    HD1  TYR  14           HD1      TYR  14   8.060  -8.168  -6.843
  104    HD2  TYR  14           HD2      TYR  14   4.225  -6.329  -6.826
  105    HE1  TYR  14           HE1      TYR  14   7.039 -10.299  -7.521
  106    HE2  TYR  14           HE2      TYR  14   3.196  -8.453  -7.507
  107    HH   TYR  14           HH       TYR  14   4.796 -11.400  -7.353
  108    H    ARG  15           H        ARG  15   6.271  -3.348  -7.599
  109    HA   ARG  15           HA       ARG  15   5.515  -2.033  -9.283
  110    HB2  ARG  15           HB2      ARG  15   7.576  -3.490 -10.931
  111    HB3  ARG  15           HB3      ARG  15   6.624  -2.130 -11.514
  112    HG2  ARG  15           HG2      ARG  15   7.655  -0.628 -10.047
  113    HG3  ARG  15           HG3      ARG  15   8.305  -1.925  -9.041
  114    HD2  ARG  15           HD2      ARG  15  10.091  -0.997 -10.336
  115    HD3  ARG  15           HD3      ARG  15   9.737  -2.611 -10.940
  116    HE   ARG  15           HE       ARG  15   8.263  -0.989 -12.557
  117   HH11  ARG  15          HH11      ARG  15  11.637  -1.093 -11.603
  118   HH12  ARG  15          HH12      ARG  15  12.211  -0.398 -13.092
  119   HH21  ARG  15          HH21      ARG  15   9.019  -0.107 -14.533
  120   HH22  ARG  15          HH22      ARG  15  10.731   0.116 -14.776
  121    H    LYS  16           H        LYS  16   5.284  -5.410  -9.422
  122    HA   LYS  16           HA       LYS  16   3.664  -5.620 -11.761
  123    HB2  LYS  16           HB2      LYS  16   3.965  -7.471  -9.392
  124    HB3  LYS  16           HB3      LYS  16   3.038  -7.859 -10.832
  125    HG2  LYS  16           HG2      LYS  16   5.997  -7.319 -10.733
  126    HG3  LYS  16           HG3      LYS  16   5.234  -8.904 -10.858
  127    HD2  LYS  16           HD2      LYS  16   4.141  -8.064 -12.979
  128    HD3  LYS  16           HD3      LYS  16   5.225  -6.674 -12.877
  129    HE2  LYS  16           HE2      LYS  16   6.036  -9.572 -13.081
  130    HE3  LYS  16           HE3      LYS  16   6.150  -8.362 -14.355
  131    HZ1  LYS  16           HZ1      LYS  16   7.640  -8.318 -11.780
  132    HZ2  LYS  16           HZ2      LYS  16   7.736  -7.137 -12.987
  133    HZ3  LYS  16           HZ3      LYS  16   8.283  -8.709 -13.298
  134    HA   PRO  17           HA       PRO  17  -0.256  -4.287 -10.114
  135    HB2  PRO  17           HB2      PRO  17  -1.490  -6.254 -11.928
  136    HB3  PRO  17           HB3      PRO  17  -1.651  -4.496 -11.908
  137    HG2  PRO  17           HG2      PRO  17  -0.280  -5.771 -13.836
  138    HG3  PRO  17           HG3      PRO  17   0.211  -4.178 -13.232
  139    HD2  PRO  17           HD2      PRO  17   1.338  -6.878 -12.593
  140    HD3  PRO  17           HD3      PRO  17   2.182  -5.340 -12.877
  141    H    LEU  18           H        LEU  18  -0.767  -4.998  -8.139
  142    HA   LEU  18           HA       LEU  18  -0.672  -7.765  -7.439
  143    HB2  LEU  18           HB2      LEU  18  -1.619  -5.362  -5.884
  144    HB3  LEU  18           HB3      LEU  18  -1.473  -6.979  -5.217
  145    HG   LEU  18           HG       LEU  18   0.772  -5.245  -6.236
  146   HD11  LEU  18          HD11      LEU  18  -0.106  -4.619  -4.038
  147   HD12  LEU  18          HD12      LEU  18   1.528  -5.274  -3.932
  148   HD13  LEU  18          HD13      LEU  18   0.148  -6.270  -3.472
  149   HD21  LEU  18          HD21      LEU  18   1.192  -7.561  -6.812
  150   HD22  LEU  18          HD22      LEU  18   0.834  -8.056  -5.158
  151   HD23  LEU  18          HD23      LEU  18   2.247  -7.056  -5.492
  152    H    SER  19           H        SER  19  -2.337  -9.092  -6.810
  153    HA   SER  19           HA       SER  19  -4.761  -8.728  -8.289
  154    HB2  SER  19           HB2      SER  19  -3.998 -10.934  -6.372
  155    HB3  SER  19           HB3      SER  19  -5.264 -10.993  -7.597
  156    HG   SER  19           HG       SER  19  -3.459 -10.523  -9.122
  157    H    ASP  20           H        ASP  20  -6.792  -8.359  -7.529
  158    HA   ASP  20           HA       ASP  20  -7.087  -6.756  -5.256
  159    HB2  ASP  20           HB2      ASP  20  -8.608  -6.760  -7.229
  160    HB3  ASP  20           HB3      ASP  20  -9.249  -8.305  -6.679
  161    H    LYS  21           H        LYS  21  -7.508 -10.202  -5.697
  162    HA   LYS  21           HA       LYS  21  -8.935 -10.815  -3.380
  163    HB2  LYS  21           HB2      LYS  21  -6.840 -12.472  -4.790
  164    HB3  LYS  21           HB3      LYS  21  -7.981 -13.081  -3.602
  165    HG2  LYS  21           HG2      LYS  21  -9.834 -12.566  -5.074
  166    HG3  LYS  21           HG3      LYS  21  -8.723 -11.864  -6.253
  167    HD2  LYS  21           HD2      LYS  21  -7.608 -14.051  -6.470
  168    HD3  LYS  21           HD3      LYS  21  -8.771 -14.742  -5.339
  169    HE2  LYS  21           HE2      LYS  21 -10.589 -14.236  -6.869
  170    HE3  LYS  21           HE3      LYS  21  -9.456 -13.472  -7.985
  171    HZ1  LYS  21           HZ1      LYS  21  -9.484 -16.337  -7.200
  172    HZ2  LYS  21           HZ2      LYS  21  -8.326 -15.620  -8.208
  173    HZ3  LYS  21           HZ3      LYS  21  -9.943 -15.701  -8.705
  174    H    LEU  22           H        LEU  22  -5.409 -10.682  -3.888
  175    HA   LEU  22           HA       LEU  22  -4.866 -11.184  -1.124
  176    HB2  LEU  22           HB2      LEU  22  -2.541 -10.750  -1.656
  177    HB3  LEU  22           HB3      LEU  22  -3.255 -11.832  -2.832
  178    HG   LEU  22           HG       LEU  22  -3.539  -9.616  -4.234
  179   HD11  LEU  22          HD11      LEU  22  -1.694  -8.057  -3.884
  180   HD12  LEU  22          HD12      LEU  22  -1.213  -8.942  -2.436
  181   HD13  LEU  22          HD13      LEU  22  -2.765  -8.102  -2.483
  182   HD21  LEU  22          HD21      LEU  22  -1.347 -10.058  -5.252
  183   HD22  LEU  22          HD22      LEU  22  -2.243 -11.543  -4.925
  184   HD23  LEU  22          HD23      LEU  22  -0.918 -11.059  -3.864
  185    H    LEU  23           H        LEU  23  -5.498  -8.385  -3.051
  186    HA   LEU  23           HA       LEU  23  -4.250  -6.451  -1.445
  187    HB2  LEU  23           HB2      LEU  23  -6.549  -6.266  -3.380
  188    HB3  LEU  23           HB3      LEU  23  -5.912  -4.865  -2.539
  189    HG   LEU  23           HG       LEU  23  -4.355  -6.629  -4.436
  190   HD11  LEU  23          HD11      LEU  23  -5.390  -3.814  -4.747
  191   HD12  LEU  23          HD12      LEU  23  -5.975  -5.242  -5.602
  192   HD13  LEU  23          HD13      LEU  23  -4.335  -4.652  -5.889
  193   HD21  LEU  23          HD21      LEU  23  -2.945  -5.739  -2.663
  194   HD22  LEU  23          HD22      LEU  23  -3.551  -4.113  -2.985
  195   HD23  LEU  23          HD23      LEU  23  -2.590  -4.954  -4.202
  196    H    ARG  24           H        ARG  24  -7.647  -7.581  -1.444
  197    HA   ARG  24           HA       ARG  24  -8.620  -5.905   0.544
  198    HB2  ARG  24           HB2      ARG  24 -10.351  -7.583   0.943
  199    HB3  ARG  24           HB3      ARG  24 -10.051  -7.390  -0.779
  200    HG2  ARG  24           HG2      ARG  24  -8.804  -9.426  -0.860
  201    HG3  ARG  24           HG3      ARG  24  -8.864  -9.587   0.896
  202    HD2  ARG  24           HD2      ARG  24 -11.248  -9.630  -0.946
  203    HD3  ARG  24           HD3      ARG  24 -10.477 -11.052  -0.241
  204    HE   ARG  24           HE       ARG  24 -11.110  -9.422   1.891
  205   HH11  ARG  24          HH11      ARG  24 -12.832 -11.063  -0.673
  206   HH12  ARG  24          HH12      ARG  24 -14.313 -11.186   0.228
  207   HH21  ARG  24          HH21      ARG  24 -13.037  -9.613   3.089
  208   HH22  ARG  24          HH22      ARG  24 -14.416 -10.394   2.381
  209    H    LYS  25           H        LYS  25  -6.392  -8.474   0.858
  210    HA   LYS  25           HA       LYS  25  -6.856  -8.805   3.712
  211    HB2  LYS  25           HB2      LYS  25  -5.217 -10.290   1.696
  212    HB3  LYS  25           HB3      LYS  25  -4.960 -10.526   3.420
  213    HG2  LYS  25           HG2      LYS  25  -7.218 -11.279   3.716
  214    HG3  LYS  25           HG3      LYS  25  -7.615 -10.880   2.044
  215    HD2  LYS  25           HD2      LYS  25  -5.516 -12.892   2.827
  216    HD3  LYS  25           HD3      LYS  25  -7.196 -13.316   2.481
  217    HE2  LYS  25           HE2      LYS  25  -6.953 -12.315   0.243
  218    HE3  LYS  25           HE3      LYS  25  -5.261 -11.978   0.600
  219    HZ1  LYS  25           HZ1      LYS  25  -5.474 -13.997  -0.687
  220    HZ2  LYS  25           HZ2      LYS  25  -6.508 -14.674   0.472
  221    HZ3  LYS  25           HZ3      LYS  25  -4.887 -14.364   0.863
  222    H    VAL  26           H        VAL  26  -5.376  -6.541   2.037
  223    HA   VAL  26           HA       VAL  26  -2.903  -6.313   3.430
  224    HB   VAL  26           HB       VAL  26  -4.563  -4.470   1.733
  225   HG11  VAL  26          HG11      VAL  26  -3.724  -3.068   3.520
  226   HG12  VAL  26          HG12      VAL  26  -2.876  -2.721   2.015
  227   HG13  VAL  26          HG13      VAL  26  -2.094  -3.685   3.269
  228   HG21  VAL  26          HG21      VAL  26  -3.147  -6.103   0.622
  229   HG22  VAL  26          HG22      VAL  26  -1.746  -5.525   1.524
  230   HG23  VAL  26          HG23      VAL  26  -2.534  -4.470   0.348
  231    H    ILE  27           H        ILE  27  -2.542  -5.459   5.389
  232    HA   ILE  27           HA       ILE  27  -4.923  -4.804   6.955
  233    HB   ILE  27           HB       ILE  27  -3.472  -5.083   8.944
  234   HG12  ILE  27          HG12      ILE  27  -1.385  -5.900   6.908
  235   HG13  ILE  27          HG13      ILE  27  -1.304  -4.513   7.984
  236   HG21  ILE  27          HG21      ILE  27  -3.512  -7.386   7.009
  237   HG22  ILE  27          HG22      ILE  27  -4.792  -6.934   8.136
  238   HG23  ILE  27          HG23      ILE  27  -3.243  -7.519   8.747
  239   HD11  ILE  27          HD11      ILE  27  -1.245  -6.032   9.908
  240   HD12  ILE  27          HD12      ILE  27   0.098  -6.302   8.796
  241   HD13  ILE  27          HD13      ILE  27  -1.279  -7.407   8.803
  242    H    GLN  28           H        GLN  28  -1.958  -3.388   5.810
  243    HA   GLN  28           HA       GLN  28  -2.896  -0.756   6.562
  244    HB2  GLN  28           HB2      GLN  28  -0.402  -1.973   7.729
  245    HB3  GLN  28           HB3      GLN  28  -0.553  -0.236   7.522
  246    HG2  GLN  28           HG2      GLN  28  -2.467  -1.930   9.112
  247    HG3  GLN  28           HG3      GLN  28  -1.110  -1.036   9.798
  248   HE21  GLN  28          HE21      GLN  28  -4.029  -0.807  10.198
  249   HE22  GLN  28          HE22      GLN  28  -4.407   0.846   9.867
  250    H    VAL  29           H        VAL  29  -1.737   0.931   5.481
  251    HA   VAL  29           HA       VAL  29  -0.040  -0.020   3.266
  252    HB   VAL  29           HB       VAL  29  -1.731   2.491   3.278
  253   HG11  VAL  29          HG11      VAL  29  -0.165   1.138   1.080
  254   HG12  VAL  29          HG12      VAL  29   0.242   2.660   1.875
  255   HG13  VAL  29          HG13      VAL  29  -1.207   2.547   0.876
  256   HG21  VAL  29          HG21      VAL  29  -3.161   0.511   3.244
  257   HG22  VAL  29          HG22      VAL  29  -2.249  -0.132   1.878
  258   HG23  VAL  29          HG23      VAL  29  -3.196   1.344   1.690
  259    H    GLU  30           H        GLU  30   2.009   0.615   3.409
  260    HA   GLU  30           HA       GLU  30   2.613   2.784   5.295
  261    HB2  GLU  30           HB2      GLU  30   4.896   1.658   5.391
  262    HB3  GLU  30           HB3      GLU  30   3.555   0.808   6.142
  263    HG2  GLU  30           HG2      GLU  30   3.472  -0.288   3.679
  264    HG3  GLU  30           HG3      GLU  30   5.194   0.085   3.808
  265    H    LEU  31           H        LEU  31   3.710   4.524   4.663
  266    HA   LEU  31           HA       LEU  31   4.405   4.662   1.823
  267    HB2  LEU  31           HB2      LEU  31   2.775   6.310   2.522
  268    HB3  LEU  31           HB3      LEU  31   3.822   6.845   3.823
  269    HG   LEU  31           HG       LEU  31   5.438   7.702   2.194
  270   HD11  LEU  31          HD11      LEU  31   5.024   6.118   0.387
  271   HD12  LEU  31          HD12      LEU  31   4.892   7.783  -0.182
  272   HD13  LEU  31          HD13      LEU  31   3.435   6.835   0.114
  273   HD21  LEU  31          HD21      LEU  31   2.622   8.662   1.722
  274   HD22  LEU  31          HD22      LEU  31   4.090   9.544   1.301
  275   HD23  LEU  31          HD23      LEU  31   3.718   9.209   2.992
  276    H    GLN  32           H        GLN  32   6.424   4.378   1.386
  277    HA   GLN  32           HA       GLN  32   8.545   5.082   3.255
  278    HB2  GLN  32           HB2      GLN  32   8.433   3.032   1.658
  279    HB3  GLN  32           HB3      GLN  32   8.878   4.174   0.400
  280    HG2  GLN  32           HG2      GLN  32  10.940   4.678   1.524
  281    HG3  GLN  32           HG3      GLN  32  10.477   3.663   2.892
  282   HE21  GLN  32          HE21      GLN  32  11.787   3.735  -0.287
  283   HE22  GLN  32          HE22      GLN  32  12.095   2.034  -0.411
  284    H    GLU  33           H        GLU  33   9.072   7.180   3.346
  285    HA   GLU  33           HA       GLU  33   8.331   9.026   1.333
  286    HB2  GLU  33           HB2      GLU  33  10.249   9.372   3.647
  287    HB3  GLU  33           HB3      GLU  33   9.564  10.674   2.680
  288    HG2  GLU  33           HG2      GLU  33   7.310   9.993   3.412
  289    HG3  GLU  33           HG3      GLU  33   8.038   8.764   4.446
  290    H    ALA  34           H        ALA  34  10.011  10.571   0.363
  291    HA   ALA  34           HA       ALA  34  11.510   8.922  -1.428
  292    HB1  ALA  34           HB1      ALA  34  11.404  11.928  -1.215
  293    HB2  ALA  34           HB2      ALA  34  10.335  10.926  -2.191
  294    HB3  ALA  34           HB3      ALA  34  12.053  11.008  -2.569
  295    H    ASP  35           H        ASP  35  12.214  10.235   1.536
  296    HA   ASP  35           HA       ASP  35  14.907   9.476   1.597
  297    HB2  ASP  35           HB2      ASP  35  15.021  11.567   0.113
  298    HB3  ASP  35           HB3      ASP  35  14.566  12.482   1.546
  299    H    GLY  36           H        GLY  36  12.330   9.462   2.986
  300    HA2  GLY  36           HA2      GLY  36  13.096  10.733   5.536
  301    HA3  GLY  36           HA3      GLY  36  11.427  10.571   4.996
  302    H    ASP  37           H        ASP  37  14.137   9.057   6.390
  303    HA   ASP  37           HA       ASP  37  14.145   7.335   7.958
  304    HB2  ASP  37           HB2      ASP  37  11.634   7.027   7.887
  305    HB3  ASP  37           HB3      ASP  37  11.852   6.017   6.452
  306    H    CYS  38           H        CYS  38  13.455   6.973   4.601
  307    HA   CYS  38           HA       CYS  38  16.077   5.845   4.153
  308    HB2  CYS  38           HB2      CYS  38  13.576   4.476   3.160
  309    HB3  CYS  38           HB3      CYS  38  15.228   4.039   2.773
  310    H    HIS  39           H        HIS  39  16.702   6.043   1.935
  311    HA   HIS  39           HA       HIS  39  15.335   8.111   0.469
  312    HB2  HIS  39           HB2      HIS  39  17.083   7.718  -1.259
  313    HB3  HIS  39           HB3      HIS  39  17.753   8.038   0.335
  314    HD1  HIS  39           HD1      HIS  39  19.319   6.330   1.282
  315    HD2  HIS  39           HD2      HIS  39  17.267   4.934  -2.054
  316    HE1  HIS  39           HE1      HIS  39  20.381   4.125   0.709
  317    HE2  HIS  39           HE2      HIS  39  19.204   3.352  -1.383
  318    H    LEU  40           H        LEU  40  14.719   7.781  -1.818
  319    HA   LEU  40           HA       LEU  40  13.631   6.758  -3.524
  320    HB2  LEU  40           HB2      LEU  40  15.305   4.949  -3.314
  321    HB3  LEU  40           HB3      LEU  40  14.306   4.170  -2.108
  322    HG   LEU  40           HG       LEU  40  14.332   3.331  -4.590
  323   HD11  LEU  40          HD11      LEU  40  11.832   3.628  -2.942
  324   HD12  LEU  40          HD12      LEU  40  12.992   2.295  -2.904
  325   HD13  LEU  40          HD13      LEU  40  11.990   2.557  -4.334
  326   HD21  LEU  40          HD21      LEU  40  12.265   5.521  -4.726
  327   HD22  LEU  40          HD22      LEU  40  12.523   4.268  -5.942
  328   HD23  LEU  40          HD23      LEU  40  13.783   5.462  -5.624
  329    H    GLN  41           H        GLN  41  11.616   7.420  -3.385
  330    HA   GLN  41           HA       GLN  41   9.909   6.777  -1.173
  331    HB2  GLN  41           HB2      GLN  41   9.784   8.950  -2.355
  332    HB3  GLN  41           HB3      GLN  41   9.225   8.118  -3.799
  333    HG2  GLN  41           HG2      GLN  41   7.219   7.398  -2.629
  334    HG3  GLN  41           HG3      GLN  41   7.787   8.177  -1.155
  335   HE21  GLN  41          HE21      GLN  41   7.736  10.407  -0.999
  336   HE22  GLN  41          HE22      GLN  41   6.846  11.402  -2.100
  337    H    ALA  42           H        ALA  42   8.398   5.246  -1.008
  338    HA   ALA  42           HA       ALA  42   7.550   3.784  -3.386
  339    HB1  ALA  42           HB1      ALA  42   8.763   2.406  -0.995
  340    HB2  ALA  42           HB2      ALA  42   9.509   2.556  -2.586
  341    HB3  ALA  42           HB3      ALA  42   8.032   1.611  -2.389
  342    H    PHE  43           H        PHE  43   5.483   3.163  -3.297
  343    HA   PHE  43           HA       PHE  43   4.015   3.459  -0.789
  344    HB2  PHE  43           HB2      PHE  43   3.289   3.394  -3.664
  345    HB3  PHE  43           HB3      PHE  43   2.136   2.659  -2.562
  346    HD1  PHE  43           HD1      PHE  43   1.292   4.060  -0.619
  347    HD2  PHE  43           HD2      PHE  43   3.334   5.701  -3.972
  348    HE1  PHE  43           HE1      PHE  43   0.327   6.265  -0.120
  349    HE2  PHE  43           HE2      PHE  43   2.375   7.913  -3.477
  350    HZ   PHE  43           HZ       PHE  43   0.864   8.196  -1.553
  351    H    VAL  44           H        VAL  44   4.194   1.708   0.481
  352    HA   VAL  44           HA       VAL  44   4.454  -0.900  -0.843
  353    HB   VAL  44           HB       VAL  44   5.385  -0.055   1.903
  354   HG11  VAL  44          HG11      VAL  44   5.832  -2.638   0.408
  355   HG12  VAL  44          HG12      VAL  44   4.820  -2.429   1.839
  356   HG13  VAL  44          HG13      VAL  44   6.567  -2.201   1.953
  357   HG21  VAL  44          HG21      VAL  44   7.634  -0.232   0.911
  358   HG22  VAL  44          HG22      VAL  44   6.652   1.009   0.133
  359   HG23  VAL  44          HG23      VAL  44   6.896  -0.545  -0.663
  360    H    LEU  45           H        LEU  45   2.983  -2.407  -0.546
  361    HA   LEU  45           HA       LEU  45   0.722  -1.786   1.195
  362    HB2  LEU  45           HB2      LEU  45   1.009  -3.857  -0.986
  363    HB3  LEU  45           HB3      LEU  45  -0.458  -3.542  -0.073
  364    HG   LEU  45           HG       LEU  45   0.919  -1.658  -1.979
  365   HD11  LEU  45          HD11      LEU  45  -1.164  -1.839  -3.244
  366   HD12  LEU  45          HD12      LEU  45  -1.766  -3.014  -2.075
  367   HD13  LEU  45          HD13      LEU  45  -0.365  -3.402  -3.073
  368   HD21  LEU  45          HD21      LEU  45   0.053  -0.422  -0.073
  369   HD22  LEU  45          HD22      LEU  45  -1.515  -1.211  -0.261
  370   HD23  LEU  45          HD23      LEU  45  -0.922  -0.116  -1.510
  371    H    HIS  46           H        HIS  46   0.391  -2.803   3.032
  372    HA   HIS  46           HA       HIS  46   2.246  -4.986   3.673
  373    HB2  HIS  46           HB2      HIS  46   2.194  -2.791   5.012
  374    HB3  HIS  46           HB3      HIS  46   0.674  -3.377   5.677
  375    HD1  HIS  46           HD1      HIS  46   4.185  -3.375   6.311
  376    HD2  HIS  46           HD2      HIS  46   1.098  -6.087   6.934
  377    HE1  HIS  46           HE1      HIS  46   5.029  -4.976   8.058
  378    HE2  HIS  46           HE2      HIS  46   3.241  -6.745   8.223
  379    H    LEU  47           H        LEU  47   1.159  -6.808   3.034
  380    HA   LEU  47           HA       LEU  47  -1.558  -7.306   3.833
  381    HB2  LEU  47           HB2      LEU  47   0.595  -9.134   2.764
  382    HB3  LEU  47           HB3      LEU  47  -1.011  -9.690   3.179
  383    HG   LEU  47           HG       LEU  47  -1.846  -7.953   1.474
  384   HD11  LEU  47          HD11      LEU  47  -0.274  -7.426  -0.323
  385   HD12  LEU  47          HD12      LEU  47   1.032  -8.166   0.604
  386   HD13  LEU  47          HD13      LEU  47   0.230  -6.717   1.211
  387   HD21  LEU  47          HD21      LEU  47  -1.522  -9.542  -0.369
  388   HD22  LEU  47          HD22      LEU  47  -1.985 -10.349   1.132
  389   HD23  LEU  47          HD23      LEU  47  -0.306 -10.390   0.588
  390    H    ALA  48           H        ALA  48  -2.052  -9.239   5.236
  391    HA   ALA  48           HA       ALA  48  -0.967  -8.797   7.798
  392    HB1  ALA  48           HB1      ALA  48  -2.335 -10.682   8.509
  393    HB2  ALA  48           HB2      ALA  48  -2.604 -11.136   6.826
  394    HB3  ALA  48           HB3      ALA  48  -3.239  -9.608   7.443
  395    H    GLN  49           H        GLN  49   0.230 -10.633   5.226
  396    HA   GLN  49           HA       GLN  49   1.722 -12.387   7.041
  397    HB2  GLN  49           HB2      GLN  49   1.250 -12.740   4.079
  398    HB3  GLN  49           HB3      GLN  49   2.059 -13.878   5.143
  399    HG2  GLN  49           HG2      GLN  49  -0.048 -14.789   4.973
  400    HG3  GLN  49           HG3      GLN  49  -0.158 -13.867   6.469
  401   HE21  GLN  49          HE21      GLN  49  -0.243 -12.492   3.224
  402   HE22  GLN  49          HE22      GLN  49  -1.891 -11.967   3.302
  403    H    ARG  50           H        ARG  50   2.078 -10.032   4.446
  404    HA   ARG  50           HA       ARG  50   4.777  -9.504   5.147
  405    HB2  ARG  50           HB2      ARG  50   5.681 -10.149   2.823
  406    HB3  ARG  50           HB3      ARG  50   5.457 -11.425   4.008
  407    HG2  ARG  50           HG2      ARG  50   4.654 -12.291   1.980
  408    HG3  ARG  50           HG3      ARG  50   3.220 -11.877   2.914
  409    HD2  ARG  50           HD2      ARG  50   3.061  -9.755   1.661
  410    HD3  ARG  50           HD3      ARG  50   4.442 -10.256   0.683
  411    HE   ARG  50           HE       ARG  50   1.887 -11.738   0.762
  412   HH11  ARG  50          HH11      ARG  50   4.668 -10.519  -0.961
  413   HH12  ARG  50          HH12      ARG  50   4.108 -11.042  -2.522
  414   HH21  ARG  50          HH21      ARG  50   1.147 -12.468  -1.267
  415   HH22  ARG  50          HH22      ARG  50   2.093 -12.177  -2.695
  416    H    SER  51           H        SER  51   5.800  -7.910   3.662
  417    HA   SER  51           HA       SER  51   3.761  -6.083   2.633
  418    HB2  SER  51           HB2      SER  51   6.689  -5.656   3.278
  419    HB3  SER  51           HB3      SER  51   5.608  -4.410   2.655
  420    HG   SER  51           HG       SER  51   5.059  -4.076   4.632
  421    H    ILE  52           H        ILE  52   3.757  -5.310   0.575
  422    HA   ILE  52           HA       ILE  52   5.744  -6.419  -1.303
  423    HB   ILE  52           HB       ILE  52   2.895  -5.586  -1.906
  424   HG12  ILE  52          HG12      ILE  52   4.154  -8.338  -1.847
  425   HG13  ILE  52          HG13      ILE  52   3.065  -7.698  -0.620
  426   HG21  ILE  52          HG21      ILE  52   5.022  -6.798  -3.668
  427   HG22  ILE  52          HG22      ILE  52   4.376  -5.161  -3.780
  428   HG23  ILE  52          HG23      ILE  52   3.341  -6.543  -4.133
  429   HD11  ILE  52          HD11      ILE  52   1.282  -7.562  -2.281
  430   HD12  ILE  52          HD12      ILE  52   1.911  -9.203  -2.131
  431   HD13  ILE  52          HD13      ILE  52   2.379  -8.202  -3.507
  432    H    CYS  53           H        CYS  53   6.970  -4.934  -2.357
  433    HA   CYS  53           HA       CYS  53   6.455  -2.158  -1.557
  434    HB2  CYS  53           HB2      CYS  53   9.034  -3.242  -2.687
  435    HB3  CYS  53           HB3      CYS  53   8.794  -1.796  -1.710
  436    H    ILE  54           H        ILE  54   5.797  -0.739  -2.997
  437    HA   ILE  54           HA       ILE  54   6.125  -1.369  -5.854
  438    HB   ILE  54           HB       ILE  54   3.693  -0.349  -4.389
  439   HG12  ILE  54          HG12      ILE  54   4.142  -2.747  -6.177
  440   HG13  ILE  54          HG13      ILE  54   3.975  -2.780  -4.424
  441   HG21  ILE  54          HG21      ILE  54   2.594  -0.111  -6.558
  442   HG22  ILE  54          HG22      ILE  54   4.121  -0.460  -7.365
  443   HG23  ILE  54          HG23      ILE  54   3.958   0.995  -6.383
  444   HD11  ILE  54          HD11      ILE  54   1.924  -3.473  -5.514
  445   HD12  ILE  54          HD12      ILE  54   1.854  -1.941  -6.389
  446   HD13  ILE  54          HD13      ILE  54   1.681  -1.964  -4.632
  447    H    HIS  55           H        HIS  55   6.717   0.277  -7.174
  448    HA   HIS  55           HA       HIS  55   7.525   2.798  -6.076
  449    HB2  HIS  55           HB2      HIS  55   8.732   1.796  -7.979
  450    HB3  HIS  55           HB3      HIS  55   7.270   1.873  -8.960
  451    HD1  HIS  55           HD1      HIS  55   6.535   4.240  -9.799
  452    HD2  HIS  55           HD2      HIS  55  10.180   4.173  -7.802
  453    HE1  HIS  55           HE1      HIS  55   7.623   6.435 -10.321
  454    HE2  HIS  55           HE2      HIS  55   9.710   6.470  -8.907
  455    HA   PRO  56           HA       PRO  56   3.599   4.935  -6.283
  456    HB2  PRO  56           HB2      PRO  56   5.374   7.232  -6.973
  457    HB3  PRO  56           HB3      PRO  56   4.103   7.119  -5.748
  458    HG2  PRO  56           HG2      PRO  56   6.649   7.025  -5.026
  459    HG3  PRO  56           HG3      PRO  56   5.460   5.955  -4.262
  460    HD2  PRO  56           HD2      PRO  56   7.503   5.331  -6.351
  461    HD3  PRO  56           HD3      PRO  56   6.965   4.353  -4.971
  462    H    GLN  57           H        GLN  57   2.418   6.386  -7.812
  463    HA   GLN  57           HA       GLN  57   1.581   6.868  -9.859
  464    HB2  GLN  57           HB2      GLN  57   4.419   6.425 -10.778
  465    HB3  GLN  57           HB3      GLN  57   3.126   6.995 -11.824
  466    HG2  GLN  57           HG2      GLN  57   4.106   8.402  -9.348
  467    HG3  GLN  57           HG3      GLN  57   4.562   8.806 -11.002
  468   HE21  GLN  57          HE21      GLN  57   2.062   8.926  -8.601
  469   HE22  GLN  57          HE22      GLN  57   1.010  10.000  -9.463
  470    H    ASN  58           H        ASN  58   2.612   3.909  -8.953
  471    HA   ASN  58           HA       ASN  58   2.151   2.463 -11.406
  472    HB2  ASN  58           HB2      ASN  58   3.624   1.838  -9.285
  473    HB3  ASN  58           HB3      ASN  58   2.114   1.112  -8.743
  474   HD21  ASN  58          HD21      ASN  58   1.468  -0.799  -9.615
  475   HD22  ASN  58          HD22      ASN  58   2.360  -1.652 -10.832
  476    HA   PRO  59           HA       PRO  59  -2.236   2.658 -11.370
  477    HB2  PRO  59           HB2      PRO  59  -2.587   0.145 -12.584
  478    HB3  PRO  59           HB3      PRO  59  -2.451   1.699 -13.407
  479    HG2  PRO  59           HG2      PRO  59  -0.374  -0.380 -12.918
  480    HG3  PRO  59           HG3      PRO  59  -0.584   0.697 -14.312
  481    HD2  PRO  59           HD2      PRO  59   1.326   1.151 -12.501
  482    HD3  PRO  59           HD3      PRO  59   0.419   2.496 -13.229
  483    H    SER  60           H        SER  60  -0.580  -0.233 -10.237
  484    HA   SER  60           HA       SER  60  -2.718  -1.588  -9.079
  485    HB2  SER  60           HB2      SER  60  -0.946  -2.668  -7.668
  486    HB3  SER  60           HB3      SER  60  -0.585  -2.657  -9.395
  487    HG   SER  60           HG       SER  60   0.895  -1.700  -7.444
  488    H    LEU  61           H        LEU  61  -0.513   0.800  -7.642
  489    HA   LEU  61           HA       LEU  61  -1.674   0.632  -5.049
  490    HB2  LEU  61           HB2      LEU  61   0.646   1.658  -6.054
  491    HB3  LEU  61           HB3      LEU  61  -0.272   3.122  -5.780
  492    HG   LEU  61           HG       LEU  61   1.076   2.760  -3.854
  493   HD11  LEU  61          HD11      LEU  61  -1.732   1.873  -3.228
  494   HD12  LEU  61          HD12      LEU  61  -1.171   3.540  -3.372
  495   HD13  LEU  61          HD13      LEU  61  -0.566   2.514  -2.072
  496   HD21  LEU  61          HD21      LEU  61   1.040   0.718  -2.536
  497   HD22  LEU  61          HD22      LEU  61   1.563   0.397  -4.193
  498   HD23  LEU  61          HD23      LEU  61  -0.077  -0.018  -3.692
  499    H    SER  62           H        SER  62  -2.052   2.839  -7.794
  500    HA   SER  62           HA       SER  62  -3.758   4.703  -6.573
  501    HB2  SER  62           HB2      SER  62  -2.640   5.091  -8.742
  502    HB3  SER  62           HB3      SER  62  -3.659   3.858  -9.482
  503    HG   SER  62           HG       SER  62  -5.104   5.342  -9.742
  504    H    GLN  63           H        GLN  63  -4.522   1.817  -8.525
  505    HA   GLN  63           HA       GLN  63  -7.319   2.006  -8.243
  506    HB2  GLN  63           HB2      GLN  63  -5.556  -0.392  -8.740
  507    HB3  GLN  63           HB3      GLN  63  -7.310  -0.417  -8.861
  508    HG2  GLN  63           HG2      GLN  63  -7.199   1.266 -10.640
  509    HG3  GLN  63           HG3      GLN  63  -5.441   1.255 -10.530
  510   HE21  GLN  63          HE21      GLN  63  -5.332  -1.651 -10.105
  511   HE22  GLN  63          HE22      GLN  63  -5.661  -2.366 -11.643
  512    H    TRP  64           H        TRP  64  -4.801   0.677  -6.205
  513    HA   TRP  64           HA       TRP  64  -6.569  -0.715  -4.477
  514    HB2  TRP  64           HB2      TRP  64  -4.184  -1.309  -4.566
  515    HB3  TRP  64           HB3      TRP  64  -3.762   0.274  -3.919
  516    HD1  TRP  64           HD1      TRP  64  -2.921  -0.186  -1.508
  517    HE1  TRP  64           HE1      TRP  64  -3.863  -1.420   0.539
  518    HE3  TRP  64           HE3      TRP  64  -7.028  -2.353  -3.664
  519    HZ2  TRP  64           HZ2      TRP  64  -6.055  -3.074   1.159
  520    HZ3  TRP  64           HZ3      TRP  64  -8.483  -3.736  -2.281
  521    HH2  TRP  64           HH2      TRP  64  -8.013  -4.096   0.085
  522    H    PHE  65           H        PHE  65  -5.354   2.588  -4.535
  523    HA   PHE  65           HA       PHE  65  -6.240   3.424  -2.037
  524    HB2  PHE  65           HB2      PHE  65  -5.811   4.750  -4.657
  525    HB3  PHE  65           HB3      PHE  65  -6.830   5.608  -3.504
  526    HD1  PHE  65           HD2      PHE  65  -5.918   6.337  -1.358
  527    HD2  PHE  65           HD1      PHE  65  -3.459   4.537  -4.326
  528    HE1  PHE  65           HE2      PHE  65  -3.919   7.207  -0.222
  529    HE2  PHE  65           HE1      PHE  65  -1.455   5.407  -3.196
  530    HZ   PHE  65           HZ       PHE  65  -1.684   6.744  -1.141
  531    H    GLU  66           H        GLU  66  -8.058   3.175  -5.072
  532    HA   GLU  66           HA       GLU  66 -10.537   3.992  -3.927
  533    HB2  GLU  66           HB2      GLU  66  -9.901   2.473  -6.461
  534    HB3  GLU  66           HB3      GLU  66 -11.507   3.050  -6.037
  535    HG2  GLU  66           HG2      GLU  66  -9.116   4.854  -6.314
  536    HG3  GLU  66           HG3      GLU  66 -10.221   4.490  -7.638
  537    H    HIS  67           H        HIS  67  -9.103   0.843  -4.674
  538    HA   HIS  67           HA       HIS  67 -11.404  -0.654  -3.969
  539    HB2  HIS  67           HB2      HIS  67  -8.530  -1.395  -4.427
  540    HB3  HIS  67           HB3      HIS  67  -9.687  -2.586  -3.846
  541    HD1  HIS  67           HD1      HIS  67  -9.812  -4.031  -5.905
  542    HD2  HIS  67           HD2      HIS  67 -10.522  -0.001  -6.699
  543    HE1  HIS  67           HE1      HIS  67 -10.614  -3.929  -8.287
  544    HE2  HIS  67           HE2      HIS  67 -10.837  -1.474  -8.803
  545    H    GLN  68           H        GLN  68  -8.629   0.461  -2.100
  546    HA   GLN  68           HA       GLN  68  -9.162  -1.185   0.165
  547    HB2  GLN  68           HB2      GLN  68  -7.551   0.121   1.342
  548    HB3  GLN  68           HB3      GLN  68  -6.961  -0.044  -0.305
  549    HG2  GLN  68           HG2      GLN  68  -7.875   2.219  -0.788
  550    HG3  GLN  68           HG3      GLN  68  -8.272   2.369   0.922
  551   HE21  GLN  68          HE21      GLN  68  -5.416   0.758  -0.281
  552   HE22  GLN  68          HE22      GLN  68  -4.284   1.923   0.306
  553    H    GLU  69           H        GLU  69 -10.341   1.890  -0.976
  554    HA   GLU  69           HA       GLU  69 -11.527   2.777   1.429
  555    HB2  GLU  69           HB2      GLU  69 -11.249   4.270  -0.497
  556    HB3  GLU  69           HB3      GLU  69 -12.388   3.304  -1.425
  557    HG2  GLU  69           HG2      GLU  69 -14.172   3.893   0.128
  558    HG3  GLU  69           HG3      GLU  69 -13.035   4.844   1.081
  559    H    ARG  70           H        ARG  70 -12.462   0.369  -0.902
  560    HA   ARG  70           HA       ARG  70 -15.026   0.080   0.503
  561    HB2  ARG  70           HB2      ARG  70 -15.799  -1.217  -1.452
  562    HB3  ARG  70           HB3      ARG  70 -15.361   0.437  -1.847
  563    HG2  ARG  70           HG2      ARG  70 -13.325  -0.272  -2.864
  564    HG3  ARG  70           HG3      ARG  70 -13.553  -1.925  -2.289
  565    HD2  ARG  70           HD2      ARG  70 -15.422  -0.506  -4.185
  566    HD3  ARG  70           HD3      ARG  70 -14.135  -1.602  -4.690
  567    HE   ARG  70           HE       ARG  70 -15.730  -2.937  -2.815
  568   HH11  ARG  70          HH11      ARG  70 -16.101  -1.584  -6.031
  569   HH12  ARG  70          HH12      ARG  70 -17.217  -2.815  -6.550
  570   HH21  ARG  70          HH21      ARG  70 -17.201  -4.538  -3.488
  571   HH22  ARG  70          HH22      ARG  70 -17.852  -4.493  -5.104
  572    H    LYS  71           H        LYS  71 -12.170  -1.083   1.077
  573    HA   LYS  71           HA       LYS  71 -13.237  -3.737   1.773
  574    HB2  LYS  71           HB2      LYS  71 -10.486  -3.238   0.628
  575    HB3  LYS  71           HB3      LYS  71 -11.067  -4.779   1.248
  576    HG2  LYS  71           HG2      LYS  71 -12.780  -4.837  -0.471
  577    HG3  LYS  71           HG3      LYS  71 -12.213  -3.284  -1.088
  578    HD2  LYS  71           HD2      LYS  71  -9.941  -4.460  -1.300
  579    HD3  LYS  71           HD3      LYS  71 -10.867  -5.952  -1.158
  580    HE2  LYS  71           HE2      LYS  71 -11.451  -3.786  -3.156
  581    HE3  LYS  71           HE3      LYS  71 -10.453  -5.201  -3.502
  582    HZ1  LYS  71           HZ1      LYS  71 -13.298  -5.299  -2.626
  583    HZ2  LYS  71           HZ2      LYS  71 -12.330  -6.626  -3.059
  584    HZ3  LYS  71           HZ3      LYS  71 -12.766  -5.475  -4.228
  585    H    LEU  72           H        LEU  72 -10.711  -4.602   2.939
  586    HA   LEU  72           HA       LEU  72  -9.887  -4.743   5.035
  587    HB2  LEU  72           HB2      LEU  72  -9.848  -1.760   4.646
  588    HB3  LEU  72           HB3      LEU  72  -9.195  -2.527   6.077
  589    HG   LEU  72           HG       LEU  72  -7.593  -3.774   4.644
  590   HD11  LEU  72          HD11      LEU  72  -8.866  -3.761   2.560
  591   HD12  LEU  72          HD12      LEU  72  -7.261  -3.067   2.337
  592   HD13  LEU  72          HD13      LEU  72  -8.671  -2.013   2.445
  593   HD21  LEU  72          HD21      LEU  72  -7.541  -0.782   4.335
  594   HD22  LEU  72          HD22      LEU  72  -6.161  -1.869   4.190
  595   HD23  LEU  72          HD23      LEU  72  -6.982  -1.687   5.740
  596    H    HIS  73           H        HIS  73 -11.561  -1.717   5.633
  597    HA   HIS  73           HA       HIS  73 -13.793  -2.773   7.010
  598    HB2  HIS  73           HB2      HIS  73 -11.954  -3.416   8.604
  599    HB3  HIS  73           HB3      HIS  73 -11.574  -1.711   8.778
  600    HD1  HIS  73           HD1      HIS  73 -13.171  -0.266  10.207
  601    HD2  HIS  73           HD2      HIS  73 -14.270  -4.272   9.953
  602    HE1  HIS  73           HE1      HIS  73 -14.883  -0.614  12.008
  603    HE2  HIS  73           HE2      HIS  73 -15.406  -3.075  11.953
  604    H    GLY  74           H        GLY  74 -12.067  -0.392   5.555
  605    HA2  GLY  74           HA2      GLY  74 -12.788   1.819   5.124
  606    HA3  GLY  74           HA3      GLY  74 -13.765   1.756   6.590
  607    H    THR  75           H        THR  75 -11.120   0.398   7.631
  608    HA   THR  75           HA       THR  75 -10.089   2.737   8.916
  609    HB   THR  75           HB       THR  75  -8.364   0.808   9.635
  610    HG1  THR  75           HG1      THR  75  -9.405  -1.190   9.634
  611   HG21  THR  75          HG21      THR  75  -9.814   0.382  11.562
  612   HG22  THR  75          HG22      THR  75 -11.173   1.104  10.701
  613   HG23  THR  75          HG23      THR  75  -9.788   2.096  11.152
  614    H    LEU  76           H        LEU  76  -8.833   4.057   7.775
  615    HA   LEU  76           HA       LEU  76  -6.553   2.909   6.349
  616    HB2  LEU  76           HB2      LEU  76  -8.231   5.217   5.354
  617    HB3  LEU  76           HB3      LEU  76  -6.779   4.604   4.595
  618    HG   LEU  76           HG       LEU  76  -9.349   3.046   4.892
  619   HD11  LEU  76          HD11      LEU  76  -9.551   3.382   2.461
  620   HD12  LEU  76          HD12      LEU  76  -8.164   4.470   2.517
  621   HD13  LEU  76          HD13      LEU  76  -9.651   4.894   3.365
  622   HD21  LEU  76          HD21      LEU  76  -7.351   1.635   4.825
  623   HD22  LEU  76          HD22      LEU  76  -6.825   2.450   3.349
  624   HD23  LEU  76          HD23      LEU  76  -8.298   1.478   3.345
  625    HA   PRO  77           HA       PRO  77  -4.464   6.025   8.696
  626    HB2  PRO  77           HB2      PRO  77  -2.046   5.874   7.610
  627    HB3  PRO  77           HB3      PRO  77  -2.744   4.479   8.451
  628    HG2  PRO  77           HG2      PRO  77  -2.602   5.021   5.505
  629    HG3  PRO  77           HG3      PRO  77  -2.232   3.523   6.380
  630    HD2  PRO  77           HD2      PRO  77  -4.644   4.038   5.142
  631    HD3  PRO  77           HD3      PRO  77  -4.437   2.911   6.499
  632    H    LYS  78           H        LYS  78  -2.894   7.975   8.182
  633    HA   LYS  78           HA       LYS  78  -4.297   9.566   6.192
  634    HB2  LYS  78           HB2      LYS  78  -3.677  10.309   8.605
  635    HB3  LYS  78           HB3      LYS  78  -2.074  10.590   7.936
  636    HG2  LYS  78           HG2      LYS  78  -3.473  12.619   7.985
  637    HG3  LYS  78           HG3      LYS  78  -2.959  12.176   6.355
  638    HD2  LYS  78           HD2      LYS  78  -5.127  11.165   5.917
  639    HD3  LYS  78           HD3      LYS  78  -5.636  11.497   7.571
  640    HE2  LYS  78           HE2      LYS  78  -5.588  13.857   7.183
  641    HE3  LYS  78           HE3      LYS  78  -4.853  13.634   5.597
  642    HZ1  LYS  78           HZ1      LYS  78  -6.853  12.590   4.812
  643    HZ2  LYS  78           HZ2      LYS  78  -7.258  14.085   5.495
  644    HZ3  LYS  78           HZ3      LYS  78  -7.557  12.655   6.353
  645    H    LEU  79           H        LEU  79  -3.216   7.897   4.717
  646    HA   LEU  79           HA       LEU  79  -0.473   8.482   4.012
  647    HB2  LEU  79           HB2      LEU  79  -0.528   6.596   2.651
  648    HB3  LEU  79           HB3      LEU  79  -1.507   6.164   4.035
  649    HG   LEU  79           HG       LEU  79  -2.652   7.090   1.400
  650   HD11  LEU  79          HD11      LEU  79  -3.137   4.748   0.981
  651   HD12  LEU  79          HD12      LEU  79  -2.291   4.303   2.462
  652   HD13  LEU  79          HD13      LEU  79  -1.400   5.028   1.123
  653   HD21  LEU  79          HD21      LEU  79  -4.275   7.410   3.089
  654   HD22  LEU  79          HD22      LEU  79  -3.869   5.884   3.876
  655   HD23  LEU  79          HD23      LEU  79  -4.682   5.882   2.312
  656    H    ASN  80           H        ASN  80  -2.745  10.356   3.662
  657    HA   ASN  80           HA       ASN  80  -3.562  11.901   2.219
  658    HB2  ASN  80           HB2      ASN  80  -1.076  11.250   0.620
  659    HB3  ASN  80           HB3      ASN  80  -2.072  12.690   0.445
  660   HD21  ASN  80          HD21      ASN  80   0.739  12.459   1.081
  661   HD22  ASN  80          HD22      ASN  80   0.960  13.255   2.598
  662    H    PHE  81           H        PHE  81  -5.200  10.135   1.868
  663    HA   PHE  81           HA       PHE  81  -5.073   8.807  -0.702
  664    HB2  PHE  81           HB2      PHE  81  -7.404   8.006  -0.029
  665    HB3  PHE  81           HB3      PHE  81  -6.062   7.469   0.968
  666    HD1  PHE  81           HD1      PHE  81  -8.855   9.897   0.790
  667    HD2  PHE  81           HD2      PHE  81  -6.006   7.918   3.256
  668    HE1  PHE  81           HE1      PHE  81 -10.009  10.743   2.794
  669    HE2  PHE  81           HE2      PHE  81  -7.151   8.763   5.265
  670    HZ   PHE  81           HZ       PHE  81  -9.156  10.176   5.036
  671    H    GLY  82           H        GLY  82  -5.269  11.799  -0.365
  672    HA2  GLY  82           HA2      GLY  82  -7.499  12.148  -2.256
  673    HA3  GLY  82           HA3      GLY  82  -7.253  13.282  -0.934
  674    H    MET  83           H        MET  83  -4.941  11.720  -3.129
  675    HA   MET  83           HA       MET  83  -4.383  14.304  -4.360
  676    HB2  MET  83           HB2      MET  83  -1.995  14.149  -3.995
  677    HB3  MET  83           HB3      MET  83  -2.825  14.109  -2.448
  678    HG2  MET  83           HG2      MET  83  -2.561  11.671  -2.384
  679    HG3  MET  83           HG3      MET  83  -1.700  11.743  -3.918
  680    HE1  MET  83           HE1      MET  83   0.364  10.402  -2.823
  681    HE2  MET  83           HE2      MET  83  -0.591  10.322  -1.343
  682    HE3  MET  83           HE3      MET  83   1.084  10.872  -1.283
  683    H    LEU  84           H        LEU  84  -5.187  11.220  -4.872
  684    HA   LEU  84           HA       LEU  84  -4.147  11.166  -7.521
  685    HB2  LEU  84           HB2      LEU  84  -3.053   8.863  -7.160
  686    HB3  LEU  84           HB3      LEU  84  -2.157  10.326  -6.820
  687    HG   LEU  84           HG       LEU  84  -2.408  10.026  -4.462
  688   HD11  LEU  84          HD11      LEU  84  -3.746   8.378  -3.431
  689   HD12  LEU  84          HD12      LEU  84  -4.082   7.594  -4.976
  690   HD13  LEU  84          HD13      LEU  84  -4.764   9.185  -4.633
  691   HD21  LEU  84          HD21      LEU  84  -0.682   8.708  -5.608
  692   HD22  LEU  84          HD22      LEU  84  -1.818   7.364  -5.724
  693   HD23  LEU  84          HD23      LEU  84  -1.271   7.921  -4.142
  694    H    ARG  85           H        ARG  85  -6.687  10.637  -5.755
  695    HA   ARG  85           HA       ARG  85  -7.280   7.938  -6.711
  696    HB2  ARG  85           HB2      ARG  85  -8.642   9.695  -4.696
  697    HB3  ARG  85           HB3      ARG  85  -9.413   8.260  -5.355
  698    HG2  ARG  85           HG2      ARG  85  -7.226   7.070  -4.634
  699    HG3  ARG  85           HG3      ARG  85  -7.026   8.475  -3.585
  700    HD2  ARG  85           HD2      ARG  85  -9.442   6.677  -3.658
  701    HD3  ARG  85           HD3      ARG  85  -8.147   6.591  -2.465
  702    HE   ARG  85           HE       ARG  85  -8.834   8.998  -1.960
  703   HH11  ARG  85          HH11      ARG  85 -11.064   6.602  -3.192
  704   HH12  ARG  85          HH12      ARG  85 -12.405   7.182  -2.246
  705   HH21  ARG  85          HH21      ARG  85 -10.624   9.828  -0.791
  706   HH22  ARG  85          HH22      ARG  85 -12.169   9.050  -0.928
  707    H    LYS  86           H        LYS  86  -8.161   7.720  -8.607
  708    HA   LYS  86           HA       LYS  86  -9.176   8.191 -10.580
  709    HB2  LYS  86           HB2      LYS  86 -11.134   8.154  -8.877
  710    HB3  LYS  86           HB3      LYS  86 -11.136   9.903  -9.073
  711    HG2  LYS  86           HG2      LYS  86 -11.690   9.755 -11.345
  712    HG3  LYS  86           HG3      LYS  86 -11.298   8.036 -11.405
  713    HD2  LYS  86           HD2      LYS  86 -13.607   9.302  -9.927
  714    HD3  LYS  86           HD3      LYS  86 -13.708   8.340 -11.402
  715    HE2  LYS  86           HE2      LYS  86 -12.744   6.423 -10.161
  716    HE3  LYS  86           HE3      LYS  86 -12.787   7.392  -8.690
  717    HZ1  LYS  86           HZ1      LYS  86 -15.237   7.602  -9.069
  718    HZ2  LYS  86           HZ2      LYS  86 -14.704   6.037  -8.698
  719    HZ3  LYS  86           HZ3      LYS  86 -15.091   6.439 -10.299
  720    H    MET  87           H        MET  87  -7.112   9.836  -9.514
  721    HA   MET  87           HA       MET  87  -5.972  11.748  -9.782
  722    HB2  MET  87           HB2      MET  87  -7.788  11.856 -12.149
  723    HB3  MET  87           HB3      MET  87  -6.839  13.277 -11.739
  724    HG2  MET  87           HG2      MET  87  -5.609  12.054 -13.345
  725    HG3  MET  87           HG3      MET  87  -4.803  11.845 -11.792
  726    HE1  MET  87           HE1      MET  87  -5.468   9.613 -10.209
  727    HE2  MET  87           HE2      MET  87  -3.925   9.618 -11.064
  728    HE3  MET  87           HE3      MET  87  -4.926   8.166 -11.058
  729    H    GLY  88           H        GLY  88  -6.817  12.208  -7.736
  730    HA2  GLY  88           HA2      GLY  88  -7.926  14.806  -7.524
  731    HA3  GLY  88           HA3      GLY  88  -9.108  13.576  -7.083
  Start of MODEL   14
    1    H1   PHE   1           HT1      PHE   1  13.480 -12.991   0.739
    2    H2   PHE   1           HT2      PHE   1  15.062 -12.551   0.306
    3    H3   PHE   1           HT3      PHE   1  13.774 -12.235  -0.752
    4    HA   PHE   1           HA       PHE   1  14.214 -10.998   1.903
    5    HB2  PHE   1           HB2      PHE   1  15.704 -10.149   0.133
    6    HB3  PHE   1           HB3      PHE   1  14.312  -9.839  -0.897
    7    HD1  PHE   1           HD1      PHE   1  16.029  -8.818   2.202
    8    HD2  PHE   1           HD2      PHE   1  13.016  -7.868  -0.649
    9    HE1  PHE   1           HE1      PHE   1  15.831  -6.564   3.169
   10    HE2  PHE   1           HE2      PHE   1  12.809  -5.612   0.314
   11    HZ   PHE   1           HZ       PHE   1  14.219  -4.958   2.227
   12    H    LEU   2           H        LEU   2  12.510 -10.089   2.823
   13    HA   LEU   2           HA       LEU   2  10.142  -9.527   1.176
   14    HB2  LEU   2           HB2      LEU   2   8.681 -10.255   2.981
   15    HB3  LEU   2           HB3      LEU   2   9.707 -11.573   2.462
   16    HG   LEU   2           HG       LEU   2  11.180 -10.665   4.519
   17   HD11  LEU   2          HD11      LEU   2   9.606  -8.897   5.101
   18   HD12  LEU   2          HD12      LEU   2   9.723 -10.096   6.390
   19   HD13  LEU   2          HD13      LEU   2   8.328 -10.095   5.309
   20   HD21  LEU   2          HD21      LEU   2  10.466 -12.963   4.188
   21   HD22  LEU   2          HD22      LEU   2   8.832 -12.548   4.706
   22   HD23  LEU   2          HD23      LEU   2  10.168 -12.460   5.853
   23    H    LEU   3           H        LEU   3   9.068  -7.609   1.713
   24    HA   LEU   3           HA       LEU   3  10.616  -5.629   2.963
   25    HB2  LEU   3           HB2      LEU   3   7.738  -5.714   2.088
   26    HB3  LEU   3           HB3      LEU   3   8.462  -4.289   2.805
   27    HG   LEU   3           HG       LEU   3   8.414  -4.092   0.403
   28   HD11  LEU   3          HD11      LEU   3  10.797  -3.644  -0.008
   29   HD12  LEU   3          HD12      LEU   3  11.192  -4.523   1.470
   30   HD13  LEU   3          HD13      LEU   3  10.255  -3.033   1.554
   31   HD21  LEU   3          HD21      LEU   3  10.129  -6.558   0.306
   32   HD22  LEU   3          HD22      LEU   3   9.669  -5.550  -1.068
   33   HD23  LEU   3          HD23      LEU   3   8.438  -6.459  -0.189
   34    HA   PRO   4           HA       PRO   4   9.691  -6.773   7.171
   35    HB2  PRO   4           HB2      PRO   4  10.961  -4.130   7.640
   36    HB3  PRO   4           HB3      PRO   4  11.360  -5.709   8.327
   37    HG2  PRO   4           HG2      PRO   4  12.908  -4.581   6.466
   38    HG3  PRO   4           HG3      PRO   4  12.629  -6.331   6.494
   39    HD2  PRO   4           HD2      PRO   4  11.447  -4.251   4.710
   40    HD3  PRO   4           HD3      PRO   4  11.944  -5.919   4.336
   41    HA   PRO   5           HA       PRO   5   5.755  -4.769   7.490
   42    HB2  PRO   5           HB2      PRO   5   6.193  -5.346  10.384
   43    HB3  PRO   5           HB3      PRO   5   4.791  -5.697   9.365
   44    HG2  PRO   5           HG2      PRO   5   6.484  -7.631  10.028
   45    HG3  PRO   5           HG3      PRO   5   5.801  -7.549   8.392
   46    HD2  PRO   5           HD2      PRO   5   8.535  -6.829   9.344
   47    HD3  PRO   5           HD3      PRO   5   8.029  -7.557   7.807
   48    H    SER   6           H        SER   6   5.755  -2.643   7.230
   49    HA   SER   6           HA       SER   6   5.631  -0.452   7.744
   50    HB2  SER   6           HB2      SER   6   6.011  -1.430  10.575
   51    HB3  SER   6           HB3      SER   6   5.621   0.236  10.139
   52    HG   SER   6           HG       SER   6   3.824  -0.907   8.884
   53    H    THR   7           H        THR   7   8.343  -2.179   7.813
   54    HA   THR   7           HA       THR   7  10.088   0.081   8.447
   55    HB   THR   7           HB       THR   7  10.857  -2.689   7.496
   56    HG1  THR   7           HG1      THR   7   9.727  -2.252   9.702
   57   HG21  THR   7          HG21      THR   7  13.064  -2.109   8.407
   58   HG22  THR   7          HG22      THR   7  12.471  -0.499   8.811
   59   HG23  THR   7          HG23      THR   7  12.583  -1.000   7.123
   60    H    ALA   8           H        ALA   8   9.592   1.492   6.801
   61    HA   ALA   8           HA       ALA   8   9.143   0.510   4.144
   62    HB1  ALA   8           HB1      ALA   8   7.783   2.310   5.106
   63    HB2  ALA   8           HB2      ALA   8   8.556   2.783   3.594
   64    HB3  ALA   8           HB3      ALA   8   9.205   3.354   5.133
   65    H    CYS   9           H        CYS   9  11.179  -0.345   3.644
   66    HA   CYS   9           HA       CYS   9  12.854   1.674   2.383
   67    HB2  CYS   9           HB2      CYS   9  13.990   1.003   4.523
   68    HB3  CYS   9           HB3      CYS   9  14.045  -0.649   3.912
   69    H    CYS  10           H        CYS  10  12.730   1.206   0.317
   70    HA   CYS  10           HA       CYS  10  12.321  -1.611  -0.420
   71    HB2  CYS  10           HB2      CYS  10  10.387  -0.141  -0.854
   72    HB3  CYS  10           HB3      CYS  10  11.403   0.867  -1.880
   73    H    THR  11           H        THR  11  14.013  -2.490  -1.352
   74    HA   THR  11           HA       THR  11  15.693  -0.812  -3.073
   75    HB   THR  11           HB       THR  11  16.933  -1.682  -1.174
   76    HG1  THR  11           HG1      THR  11  17.510  -2.666  -3.740
   77   HG21  THR  11          HG21      THR  11  15.548  -3.643  -0.679
   78   HG22  THR  11          HG22      THR  11  17.254  -4.070  -0.805
   79   HG23  THR  11          HG23      THR  11  16.157  -4.437  -2.134
   80    H    GLN  12           H        GLN  12  13.158  -2.602  -3.442
   81    HA   GLN  12           HA       GLN  12  13.772  -3.386  -6.090
   82    HB2  GLN  12           HB2      GLN  12  12.954  -5.855  -5.557
   83    HB3  GLN  12           HB3      GLN  12  14.647  -5.406  -5.542
   84    HG2  GLN  12           HG2      GLN  12  14.224  -6.783  -3.655
   85    HG3  GLN  12           HG3      GLN  12  14.504  -5.145  -3.080
   86   HE21  GLN  12          HE21      GLN  12  12.863  -4.046  -2.085
   87   HE22  GLN  12          HE22      GLN  12  11.374  -4.772  -1.628
   88    H    LEU  13           H        LEU  13  12.035  -2.907  -7.220
   89    HA   LEU  13           HA       LEU  13   9.470  -2.659  -5.873
   90    HB2  LEU  13           HB2      LEU  13  10.264  -2.081  -8.731
   91    HB3  LEU  13           HB3      LEU  13   8.709  -1.699  -8.018
   92    HG   LEU  13           HG       LEU  13  11.345  -0.512  -7.143
   93   HD11  LEU  13          HD11      LEU  13  10.713   0.203  -9.390
   94   HD12  LEU  13          HD12      LEU  13  10.564   1.521  -8.229
   95   HD13  LEU  13          HD13      LEU  13   9.123   0.676  -8.794
   96   HD21  LEU  13          HD21      LEU  13   9.944   1.058  -5.896
   97   HD22  LEU  13          HD22      LEU  13   9.703  -0.601  -5.349
   98   HD23  LEU  13          HD23      LEU  13   8.506   0.165  -6.391
   99    H    TYR  14           H        TYR  14   7.697  -3.940  -6.207
  100    HA   TYR  14           HA       TYR  14   8.024  -6.502  -7.410
  101    HB2  TYR  14           HB2      TYR  14   6.439  -5.964  -5.526
  102    HB3  TYR  14           HB3      TYR  14   5.425  -5.124  -6.693
  103    HD1  TYR  14           HD1      TYR  14   6.676  -8.412  -5.609
  104    HD2  TYR  14           HD2      TYR  14   4.028  -6.346  -8.219
  105    HE1  TYR  14           HE1      TYR  14   5.521 -10.524  -6.102
  106    HE2  TYR  14           HE2      TYR  14   2.870  -8.453  -8.720
  107    HH   TYR  14           HH       TYR  14   3.303 -10.851  -8.675
  108    H    ARG  15           H        ARG  15   6.496  -3.486  -8.369
  109    HA   ARG  15           HA       ARG  15   6.209  -2.526 -10.395
  110    HB2  ARG  15           HB2      ARG  15   7.773  -4.929 -11.231
  111    HB3  ARG  15           HB3      ARG  15   7.019  -3.915 -12.455
  112    HG2  ARG  15           HG2      ARG  15   8.347  -2.097 -11.970
  113    HG3  ARG  15           HG3      ARG  15   8.696  -2.658 -10.334
  114    HD2  ARG  15           HD2      ARG  15   9.677  -4.099 -12.784
  115    HD3  ARG  15           HD3      ARG  15  10.590  -2.794 -12.024
  116    HE   ARG  15           HE       ARG  15   9.832  -4.810 -10.149
  117   HH11  ARG  15          HH11      ARG  15  12.165  -4.065 -12.655
  118   HH12  ARG  15          HH12      ARG  15  13.417  -5.050 -11.949
  119   HH21  ARG  15          HH21      ARG  15  11.468  -6.076  -9.213
  120   HH22  ARG  15          HH22      ARG  15  13.029  -6.179  -9.970
  121    H    LYS  16           H        LYS  16   5.399  -5.995 -10.588
  122    HA   LYS  16           HA       LYS  16   3.246  -5.612 -12.397
  123    HB2  LYS  16           HB2      LYS  16   4.306  -7.855 -10.791
  124    HB3  LYS  16           HB3      LYS  16   2.595  -7.946 -11.179
  125    HG2  LYS  16           HG2      LYS  16   3.917  -9.133 -12.820
  126    HG3  LYS  16           HG3      LYS  16   3.118  -7.743 -13.552
  127    HD2  LYS  16           HD2      LYS  16   5.214  -6.463 -13.346
  128    HD3  LYS  16           HD3      LYS  16   6.002  -7.900 -12.686
  129    HE2  LYS  16           HE2      LYS  16   5.533  -9.110 -14.758
  130    HE3  LYS  16           HE3      LYS  16   4.736  -7.683 -15.416
  131    HZ1  LYS  16           HZ1      LYS  16   6.991  -7.872 -16.231
  132    HZ2  LYS  16           HZ2      LYS  16   7.597  -7.873 -14.646
  133    HZ3  LYS  16           HZ3      LYS  16   6.835  -6.491 -15.258
  134    HA   PRO  17           HA       PRO  17  -0.047  -4.251  -9.744
  135    HB2  PRO  17           HB2      PRO  17  -2.143  -5.531 -10.972
  136    HB3  PRO  17           HB3      PRO  17  -1.423  -4.032 -11.564
  137    HG2  PRO  17           HG2      PRO  17  -0.945  -6.847 -12.459
  138    HG3  PRO  17           HG3      PRO  17  -1.121  -5.375 -13.433
  139    HD2  PRO  17           HD2      PRO  17   1.288  -6.450 -12.922
  140    HD3  PRO  17           HD3      PRO  17   1.051  -4.692 -13.022
  141    H    LEU  18           H        LEU  18  -0.497  -5.015  -7.781
  142    HA   LEU  18           HA       LEU  18  -0.195  -7.725  -7.070
  143    HB2  LEU  18           HB2      LEU  18  -1.532  -5.468  -5.579
  144    HB3  LEU  18           HB3      LEU  18  -1.180  -7.040  -4.891
  145    HG   LEU  18           HG       LEU  18   0.811  -4.969  -5.805
  146   HD11  LEU  18          HD11      LEU  18   1.502  -4.969  -3.474
  147   HD12  LEU  18          HD12      LEU  18   0.267  -6.169  -3.094
  148   HD13  LEU  18          HD13      LEU  18  -0.206  -4.554  -3.621
  149   HD21  LEU  18          HD21      LEU  18   2.541  -6.530  -5.085
  150   HD22  LEU  18          HD22      LEU  18   1.598  -7.190  -6.420
  151   HD23  LEU  18          HD23      LEU  18   1.313  -7.756  -4.774
  152    H    SER  19           H        SER  19  -1.603  -9.344  -6.847
  153    HA   SER  19           HA       SER  19  -4.019  -9.242  -8.312
  154    HB2  SER  19           HB2      SER  19  -3.152 -11.408  -6.388
  155    HB3  SER  19           HB3      SER  19  -4.200 -11.572  -7.800
  156    HG   SER  19           HG       SER  19  -2.253 -10.772  -8.999
  157    H    ASP  20           H        ASP  20  -6.161  -9.538  -7.582
  158    HA   ASP  20           HA       ASP  20  -6.982  -7.952  -5.445
  159    HB2  ASP  20           HB2      ASP  20  -8.336  -8.818  -7.457
  160    HB3  ASP  20           HB3      ASP  20  -8.615 -10.263  -6.491
  161    H    LYS  21           H        LYS  21  -6.167 -11.309  -5.593
  162    HA   LYS  21           HA       LYS  21  -7.232 -12.334  -3.251
  163    HB2  LYS  21           HB2      LYS  21  -4.560 -12.942  -4.532
  164    HB3  LYS  21           HB3      LYS  21  -5.354 -13.945  -3.328
  165    HG2  LYS  21           HG2      LYS  21  -6.653 -13.284  -5.946
  166    HG3  LYS  21           HG3      LYS  21  -5.545 -14.646  -5.763
  167    HD2  LYS  21           HD2      LYS  21  -7.002 -15.466  -3.901
  168    HD3  LYS  21           HD3      LYS  21  -8.154 -14.197  -4.322
  169    HE2  LYS  21           HE2      LYS  21  -8.530 -15.134  -6.468
  170    HE3  LYS  21           HE3      LYS  21  -7.167 -16.239  -6.297
  171    HZ1  LYS  21           HZ1      LYS  21  -8.355 -17.369  -4.522
  172    HZ2  LYS  21           HZ2      LYS  21  -9.260 -17.378  -5.959
  173    HZ3  LYS  21           HZ3      LYS  21  -9.674 -16.315  -4.706
  174    H    LEU  22           H        LEU  22  -4.153 -10.671  -3.785
  175    HA   LEU  22           HA       LEU  22  -3.325 -10.811  -1.052
  176    HB2  LEU  22           HB2      LEU  22  -2.250  -8.645  -2.752
  177    HB3  LEU  22           HB3      LEU  22  -1.403  -9.796  -1.739
  178    HG   LEU  22           HG       LEU  22  -2.514 -10.361  -4.484
  179   HD11  LEU  22          HD11      LEU  22  -0.179 -10.463  -5.174
  180   HD12  LEU  22          HD12      LEU  22   0.326 -10.005  -3.548
  181   HD13  LEU  22          HD13      LEU  22  -0.591  -8.871  -4.540
  182   HD21  LEU  22          HD21      LEU  22  -2.539 -12.344  -3.068
  183   HD22  LEU  22          HD22      LEU  22  -0.844 -12.081  -2.652
  184   HD23  LEU  22          HD23      LEU  22  -1.294 -12.476  -4.313
  185    H    LEU  23           H        LEU  23  -4.964  -8.540  -3.109
  186    HA   LEU  23           HA       LEU  23  -4.747  -6.244  -1.586
  187    HB2  LEU  23           HB2      LEU  23  -6.372  -7.183  -3.825
  188    HB3  LEU  23           HB3      LEU  23  -7.157  -5.946  -2.865
  189    HG   LEU  23           HG       LEU  23  -5.328  -4.407  -3.252
  190   HD11  LEU  23          HD11      LEU  23  -3.477  -5.970  -3.236
  191   HD12  LEU  23          HD12      LEU  23  -3.446  -4.989  -4.700
  192   HD13  LEU  23          HD13      LEU  23  -4.019  -6.654  -4.769
  193   HD21  LEU  23          HD21      LEU  23  -6.210  -5.749  -5.803
  194   HD22  LEU  23          HD22      LEU  23  -5.475  -4.148  -5.691
  195   HD23  LEU  23          HD23      LEU  23  -7.050  -4.450  -4.952
  196    H    ARG  24           H        ARG  24  -7.320  -8.717  -1.498
  197    HA   ARG  24           HA       ARG  24  -8.871  -7.330   0.448
  198    HB2  ARG  24           HB2      ARG  24 -10.161  -9.383   0.623
  199    HB3  ARG  24           HB3      ARG  24  -9.841  -9.003  -1.064
  200    HG2  ARG  24           HG2      ARG  24  -7.901 -10.625  -0.917
  201    HG3  ARG  24           HG3      ARG  24  -8.578 -11.136   0.632
  202    HD2  ARG  24           HD2      ARG  24  -9.337 -12.598  -1.153
  203    HD3  ARG  24           HD3      ARG  24 -10.689 -11.685  -0.482
  204    HE   ARG  24           HE       ARG  24  -9.724 -10.230  -2.639
  205   HH11  ARG  24          HH11      ARG  24 -11.211 -13.342  -2.085
  206   HH12  ARG  24          HH12      ARG  24 -11.950 -13.410  -3.656
  207   HH21  ARG  24          HH21      ARG  24 -10.692 -10.278  -4.668
  208   HH22  ARG  24          HH22      ARG  24 -11.625 -11.672  -5.154
  209    H    LYS  25           H        LYS  25  -5.938  -8.742   0.725
  210    HA   LYS  25           HA       LYS  25  -6.333  -9.549   3.521
  211    HB2  LYS  25           HB2      LYS  25  -4.217 -10.414   1.562
  212    HB3  LYS  25           HB3      LYS  25  -4.236 -10.854   3.264
  213    HG2  LYS  25           HG2      LYS  25  -6.430 -11.942   2.916
  214    HG3  LYS  25           HG3      LYS  25  -6.298 -11.583   1.196
  215    HD2  LYS  25           HD2      LYS  25  -4.396 -13.280   2.807
  216    HD3  LYS  25           HD3      LYS  25  -5.612 -13.874   1.675
  217    HE2  LYS  25           HE2      LYS  25  -4.494 -12.707  -0.147
  218    HE3  LYS  25           HE3      LYS  25  -3.288 -12.091   0.983
  219    HZ1  LYS  25           HZ1      LYS  25  -2.543 -14.320   1.409
  220    HZ2  LYS  25           HZ2      LYS  25  -2.523 -14.057  -0.266
  221    HZ3  LYS  25           HZ3      LYS  25  -3.763 -14.973   0.434
  222    H    VAL  26           H        VAL  26  -5.331  -7.025   1.742
  223    HA   VAL  26           HA       VAL  26  -2.990  -6.248   3.221
  224    HB   VAL  26           HB       VAL  26  -4.845  -4.509   1.567
  225   HG11  VAL  26          HG11      VAL  26  -3.384  -3.256   3.086
  226   HG12  VAL  26          HG12      VAL  26  -2.957  -2.989   1.396
  227   HG13  VAL  26          HG13      VAL  26  -1.980  -4.069   2.394
  228   HG21  VAL  26          HG21      VAL  26  -3.966  -6.335   0.218
  229   HG22  VAL  26          HG22      VAL  26  -2.326  -5.943   0.735
  230   HG23  VAL  26          HG23      VAL  26  -3.235  -4.801  -0.254
  231    H    ILE  27           H        ILE  27  -2.929  -4.592   4.858
  232    HA   ILE  27           HA       ILE  27  -5.553  -4.013   6.064
  233    HB   ILE  27           HB       ILE  27  -4.453  -4.131   8.313
  234   HG12  ILE  27          HG12      ILE  27  -2.247  -5.444   6.714
  235   HG13  ILE  27          HG13      ILE  27  -2.126  -3.950   7.633
  236   HG21  ILE  27          HG21      ILE  27  -5.901  -5.909   7.553
  237   HG22  ILE  27          HG22      ILE  27  -4.543  -6.589   8.450
  238   HG23  ILE  27          HG23      ILE  27  -4.563  -6.666   6.688
  239   HD11  ILE  27          HD11      ILE  27  -1.085  -5.789   8.813
  240   HD12  ILE  27          HD12      ILE  27  -2.597  -6.696   8.772
  241   HD13  ILE  27          HD13      ILE  27  -2.488  -5.198   9.702
  242    H    GLN  28           H        GLN  28  -2.497  -2.830   5.041
  243    HA   GLN  28           HA       GLN  28  -3.242  -0.146   5.879
  244    HB2  GLN  28           HB2      GLN  28  -0.802  -1.587   6.853
  245    HB3  GLN  28           HB3      GLN  28  -0.764   0.156   6.634
  246    HG2  GLN  28           HG2      GLN  28  -2.680  -1.350   8.394
  247    HG3  GLN  28           HG3      GLN  28  -1.257  -0.459   8.933
  248   HE21  GLN  28          HE21      GLN  28  -4.051  -0.085   9.621
  249   HE22  GLN  28          HE22      GLN  28  -4.446   1.539   9.179
  250    H    VAL  29           H        VAL  29  -2.167   1.516   4.780
  251    HA   VAL  29           HA       VAL  29  -0.554   0.681   2.459
  252    HB   VAL  29           HB       VAL  29  -2.148   3.239   2.750
  253   HG11  VAL  29          HG11      VAL  29  -1.686   3.517   0.356
  254   HG12  VAL  29          HG12      VAL  29  -0.691   2.063   0.387
  255   HG13  VAL  29          HG13      VAL  29  -0.207   3.481   1.314
  256   HG21  VAL  29          HG21      VAL  29  -3.684   2.289   1.095
  257   HG22  VAL  29          HG22      VAL  29  -3.653   1.330   2.575
  258   HG23  VAL  29          HG23      VAL  29  -2.792   0.769   1.141
  259    H    GLU  30           H        GLU  30   1.538   1.214   2.619
  260    HA   GLU  30           HA       GLU  30   2.275   3.252   4.617
  261    HB2  GLU  30           HB2      GLU  30   4.200   1.145   3.744
  262    HB3  GLU  30           HB3      GLU  30   4.048   1.940   5.306
  263    HG2  GLU  30           HG2      GLU  30   1.879   0.669   5.586
  264    HG3  GLU  30           HG3      GLU  30   2.360  -0.267   4.166
  265    H    LEU  31           H        LEU  31   4.172   4.519   4.158
  266    HA   LEU  31           HA       LEU  31   4.823   4.673   1.294
  267    HB2  LEU  31           HB2      LEU  31   3.272   6.460   1.776
  268    HB3  LEU  31           HB3      LEU  31   4.199   6.944   3.183
  269    HG   LEU  31           HG       LEU  31   6.059   7.620   1.697
  270   HD11  LEU  31          HD11      LEU  31   4.115   6.974  -0.512
  271   HD12  LEU  31          HD12      LEU  31   5.631   6.137  -0.174
  272   HD13  LEU  31          HD13      LEU  31   5.650   7.818  -0.709
  273   HD21  LEU  31          HD21      LEU  31   4.953   9.615   0.784
  274   HD22  LEU  31          HD22      LEU  31   4.452   9.272   2.439
  275   HD23  LEU  31          HD23      LEU  31   3.385   8.871   1.095
  276    H    GLN  32           H        GLN  32   6.925   4.389   0.973
  277    HA   GLN  32           HA       GLN  32   8.828   4.749   3.096
  278    HB2  GLN  32           HB2      GLN  32   9.232   3.022   1.403
  279    HB3  GLN  32           HB3      GLN  32   9.279   4.252   0.144
  280    HG2  GLN  32           HG2      GLN  32  11.234   5.270   1.288
  281    HG3  GLN  32           HG3      GLN  32  11.224   3.923   2.422
  282   HE21  GLN  32          HE21      GLN  32  10.462   3.542  -0.943
  283   HE22  GLN  32          HE22      GLN  32  11.897   2.690  -1.384
  284    H    GLU  33           H        GLU  33   9.060   6.773   3.755
  285    HA   GLU  33           HA       GLU  33   9.047   9.028   2.037
  286    HB2  GLU  33           HB2      GLU  33  10.092   8.691   4.858
  287    HB3  GLU  33           HB3      GLU  33   9.873  10.236   4.041
  288    HG2  GLU  33           HG2      GLU  33   7.539  10.028   4.023
  289    HG3  GLU  33           HG3      GLU  33   7.607   8.307   4.397
  290    H    ALA  34           H        ALA  34  10.706  10.076   1.063
  291    HA   ALA  34           HA       ALA  34  12.860   8.367   0.302
  292    HB1  ALA  34           HB1      ALA  34  13.409  10.089  -1.304
  293    HB2  ALA  34           HB2      ALA  34  12.337  11.225  -0.488
  294    HB3  ALA  34           HB3      ALA  34  11.672   9.799  -1.285
  295    H    ASP  35           H        ASP  35  12.982   9.264   3.063
  296    HA   ASP  35           HA       ASP  35  15.718   9.630   3.315
  297    HB2  ASP  35           HB2      ASP  35  15.247  11.939   2.506
  298    HB3  ASP  35           HB3      ASP  35  14.163  12.174   3.873
  299    H    GLY  36           H        GLY  36  12.517   9.931   4.615
  300    HA2  GLY  36           HA2      GLY  36  13.066  10.059   7.354
  301    HA3  GLY  36           HA3      GLY  36  11.607   9.387   6.642
  302    H    ASP  37           H        ASP  37  13.132   7.338   5.160
  303    HA   ASP  37           HA       ASP  37  14.090   5.695   7.407
  304    HB2  ASP  37           HB2      ASP  37  11.765   5.068   6.494
  305    HB3  ASP  37           HB3      ASP  37  12.615   4.529   5.048
  306    H    CYS  38           H        CYS  38  13.892   5.508   3.859
  307    HA   CYS  38           HA       CYS  38  16.814   5.220   3.790
  308    HB2  CYS  38           HB2      CYS  38  14.707   3.654   2.337
  309    HB3  CYS  38           HB3      CYS  38  16.344   3.762   1.704
  310    H    HIS  39           H        HIS  39  17.195   5.337   1.014
  311    HA   HIS  39           HA       HIS  39  17.091   8.209   0.898
  312    HB2  HIS  39           HB2      HIS  39  18.309   6.194  -0.992
  313    HB3  HIS  39           HB3      HIS  39  18.491   7.939  -1.135
  314    HD1  HIS  39           HD1      HIS  39  20.259   9.049   0.290
  315    HD2  HIS  39           HD2      HIS  39  19.656   5.050   1.263
  316    HE1  HIS  39           HE1      HIS  39  22.139   8.437   1.845
  317    HE2  HIS  39           HE2      HIS  39  21.842   5.968   2.289
  318    H    LEU  40           H        LEU  40  15.245   5.670  -0.596
  319    HA   LEU  40           HA       LEU  40  14.308   7.592  -2.617
  320    HB2  LEU  40           HB2      LEU  40  13.652   5.759  -4.008
  321    HB3  LEU  40           HB3      LEU  40  15.330   5.561  -3.543
  322    HG   LEU  40           HG       LEU  40  13.287   4.170  -1.895
  323   HD11  LEU  40          HD11      LEU  40  14.118   3.277  -4.651
  324   HD12  LEU  40          HD12      LEU  40  12.495   3.761  -4.148
  325   HD13  LEU  40          HD13      LEU  40  13.228   2.301  -3.480
  326   HD21  LEU  40          HD21      LEU  40  16.016   3.414  -2.940
  327   HD22  LEU  40          HD22      LEU  40  15.044   2.468  -1.815
  328   HD23  LEU  40          HD23      LEU  40  15.663   4.046  -1.333
  329    H    GLN  41           H        GLN  41  12.005   7.078  -3.373
  330    HA   GLN  41           HA       GLN  41  10.301   6.698  -1.003
  331    HB2  GLN  41           HB2      GLN  41  10.236   8.986  -1.914
  332    HB3  GLN  41           HB3      GLN  41   9.779   8.346  -3.487
  333    HG2  GLN  41           HG2      GLN  41   7.731   7.404  -2.415
  334    HG3  GLN  41           HG3      GLN  41   8.170   8.282  -0.952
  335   HE21  GLN  41          HE21      GLN  41   8.691   9.498  -4.193
  336   HE22  GLN  41          HE22      GLN  41   7.533  10.779  -4.100
  337    H    ALA  42           H        ALA  42   8.536   5.340  -1.155
  338    HA   ALA  42           HA       ALA  42   7.706   4.247  -3.698
  339    HB1  ALA  42           HB1      ALA  42   9.628   2.810  -3.145
  340    HB2  ALA  42           HB2      ALA  42   8.104   1.920  -3.124
  341    HB3  ALA  42           HB3      ALA  42   8.860   2.404  -1.607
  342    H    PHE  43           H        PHE  43   5.679   3.246  -3.588
  343    HA   PHE  43           HA       PHE  43   4.264   3.608  -1.066
  344    HB2  PHE  43           HB2      PHE  43   3.439   3.336  -3.910
  345    HB3  PHE  43           HB3      PHE  43   2.330   2.717  -2.689
  346    HD1  PHE  43           HD2      PHE  43   1.536   4.250  -0.883
  347    HD2  PHE  43           HD1      PHE  43   3.601   5.648  -4.330
  348    HE1  PHE  43           HE2      PHE  43   0.692   6.523  -0.464
  349    HE2  PHE  43           HE1      PHE  43   2.760   7.922  -3.919
  350    HZ   PHE  43           HZ       PHE  43   1.302   8.362  -1.984
  351    H    VAL  44           H        VAL  44   3.999   1.993   0.277
  352    HA   VAL  44           HA       VAL  44   4.552  -0.723  -0.720
  353    HB   VAL  44           HB       VAL  44   5.276   0.455   1.972
  354   HG11  VAL  44          HG11      VAL  44   5.958  -2.238   0.798
  355   HG12  VAL  44          HG12      VAL  44   4.772  -1.943   2.071
  356   HG13  VAL  44          HG13      VAL  44   6.481  -1.616   2.364
  357   HG21  VAL  44          HG21      VAL  44   7.599   0.260   1.169
  358   HG22  VAL  44          HG22      VAL  44   6.643   1.382   0.199
  359   HG23  VAL  44          HG23      VAL  44   6.991  -0.235  -0.412
  360    H    LEU  45           H        LEU  45   3.045  -2.241  -0.262
  361    HA   LEU  45           HA       LEU  45   0.752  -1.357   1.333
  362    HB2  LEU  45           HB2      LEU  45   1.036  -3.557  -0.705
  363    HB3  LEU  45           HB3      LEU  45  -0.401  -3.331   0.278
  364    HG   LEU  45           HG       LEU  45   0.718  -1.388  -1.740
  365   HD11  LEU  45          HD11      LEU  45  -1.395  -1.755  -2.897
  366   HD12  LEU  45          HD12      LEU  45  -1.858  -2.946  -1.677
  367   HD13  LEU  45          HD13      LEU  45  -0.478  -3.255  -2.735
  368   HD21  LEU  45          HD21      LEU  45  -1.666  -1.104   0.082
  369   HD22  LEU  45          HD22      LEU  45  -1.214   0.009  -1.210
  370   HD23  LEU  45          HD23      LEU  45  -0.161  -0.191   0.190
  371    H    HIS  46           H        HIS  46   0.269  -2.191   3.212
  372    HA   HIS  46           HA       HIS  46   2.014  -4.311   4.248
  373    HB2  HIS  46           HB2      HIS  46   1.791  -2.079   5.438
  374    HB3  HIS  46           HB3      HIS  46   0.131  -2.524   5.800
  375    HD1  HIS  46           HD1      HIS  46   3.175  -2.350   7.429
  376    HD2  HIS  46           HD2      HIS  46   0.311  -5.352   7.149
  377    HE1  HIS  46           HE1      HIS  46   3.548  -3.838   9.427
  378    HE2  HIS  46           HE2      HIS  46   1.715  -5.568   9.314
  379    H    LEU  47           H        LEU  47   1.157  -6.261   3.874
  380    HA   LEU  47           HA       LEU  47  -1.726  -6.644   4.141
  381    HB2  LEU  47           HB2      LEU  47   0.477  -8.485   3.212
  382    HB3  LEU  47           HB3      LEU  47  -1.192  -8.984   3.386
  383    HG   LEU  47           HG       LEU  47  -1.768  -7.156   1.705
  384   HD11  LEU  47          HD11      LEU  47   0.294  -5.881   1.819
  385   HD12  LEU  47          HD12      LEU  47   0.037  -6.496   0.186
  386   HD13  LEU  47          HD13      LEU  47   1.209  -7.277   1.246
  387   HD21  LEU  47          HD21      LEU  47  -1.786  -9.524   1.162
  388   HD22  LEU  47          HD22      LEU  47  -0.053  -9.479   0.839
  389   HD23  LEU  47          HD23      LEU  47  -1.164  -8.577  -0.193
  390    H    ALA  48           H        ALA  48  -2.320  -8.807   5.253
  391    HA   ALA  48           HA       ALA  48  -1.664  -8.442   7.993
  392    HB1  ALA  48           HB1      ALA  48  -3.189 -10.306   8.401
  393    HB2  ALA  48           HB2      ALA  48  -3.232 -10.653   6.671
  394    HB3  ALA  48           HB3      ALA  48  -3.883  -9.130   7.284
  395    H    GLN  49           H        GLN  49   0.266  -9.768   5.794
  396    HA   GLN  49           HA       GLN  49   1.391 -11.667   7.740
  397    HB2  GLN  49           HB2      GLN  49   2.206 -11.894   4.894
  398    HB3  GLN  49           HB3      GLN  49   2.004 -13.150   6.103
  399    HG2  GLN  49           HG2      GLN  49   0.343 -13.601   4.557
  400    HG3  GLN  49           HG3      GLN  49  -0.514 -12.720   5.826
  401   HE21  GLN  49          HE21      GLN  49  -2.131 -12.066   4.394
  402   HE22  GLN  49          HE22      GLN  49  -1.849 -10.843   3.197
  403    H    ARG  50           H        ARG  50   2.155  -9.535   5.014
  404    HA   ARG  50           HA       ARG  50   4.289  -8.265   6.425
  405    HB2  ARG  50           HB2      ARG  50   5.966  -8.900   4.546
  406    HB3  ARG  50           HB3      ARG  50   5.695 -10.024   5.866
  407    HG2  ARG  50           HG2      ARG  50   5.798 -11.226   3.791
  408    HG3  ARG  50           HG3      ARG  50   4.161 -11.306   4.427
  409    HD2  ARG  50           HD2      ARG  50   3.349  -9.789   2.821
  410    HD3  ARG  50           HD3      ARG  50   4.975  -9.261   2.381
  411    HE   ARG  50           HE       ARG  50   5.273 -11.555   1.439
  412   HH11  ARG  50          HH11      ARG  50   2.053 -10.225   1.801
  413   HH12  ARG  50          HH12      ARG  50   1.381 -11.154   0.496
  414   HH21  ARG  50          HH21      ARG  50   4.398 -12.768  -0.277
  415   HH22  ARG  50          HH22      ARG  50   2.725 -12.589  -0.707
  416    H    SER  51           H        SER  51   5.577  -6.864   4.664
  417    HA   SER  51           HA       SER  51   3.465  -5.467   3.202
  418    HB2  SER  51           HB2      SER  51   6.245  -4.577   4.003
  419    HB3  SER  51           HB3      SER  51   5.070  -3.578   3.151
  420    HG   SER  51           HG       SER  51   4.550  -3.030   5.128
  421    H    ILE  52           H        ILE  52   3.732  -4.802   1.064
  422    HA   ILE  52           HA       ILE  52   5.882  -6.128  -0.472
  423    HB   ILE  52           HB       ILE  52   3.048  -5.611  -1.419
  424   HG12  ILE  52          HG12      ILE  52   4.379  -8.249  -0.761
  425   HG13  ILE  52          HG13      ILE  52   3.192  -7.443   0.260
  426   HG21  ILE  52          HG21      ILE  52   4.681  -5.479  -3.218
  427   HG22  ILE  52          HG22      ILE  52   3.696  -6.934  -3.381
  428   HG23  ILE  52          HG23      ILE  52   5.342  -7.048  -2.754
  429   HD11  ILE  52          HD11      ILE  52   2.157  -9.214  -1.015
  430   HD12  ILE  52          HD12      ILE  52   2.732  -8.496  -2.519
  431   HD13  ILE  52          HD13      ILE  52   1.537  -7.650  -1.539
  432    H    CYS  53           H        CYS  53   6.755  -4.860  -2.205
  433    HA   CYS  53           HA       CYS  53   6.277  -2.002  -1.760
  434    HB2  CYS  53           HB2      CYS  53   8.567  -2.691  -1.356
  435    HB3  CYS  53           HB3      CYS  53   8.663  -3.418  -2.960
  436    H    ILE  54           H        ILE  54   5.502  -0.732  -3.270
  437    HA   ILE  54           HA       ILE  54   5.223  -1.797  -5.994
  438    HB   ILE  54           HB       ILE  54   3.230  -0.796  -4.117
  439   HG12  ILE  54          HG12      ILE  54   3.039  -2.226  -6.773
  440   HG13  ILE  54          HG13      ILE  54   3.120  -2.985  -5.187
  441   HG21  ILE  54          HG21      ILE  54   1.867   0.437  -5.731
  442   HG22  ILE  54          HG22      ILE  54   3.196   0.374  -6.889
  443   HG23  ILE  54          HG23      ILE  54   3.388   1.256  -5.373
  444   HD11  ILE  54          HD11      ILE  54   0.850  -2.951  -6.115
  445   HD12  ILE  54          HD12      ILE  54   0.898  -1.189  -6.129
  446   HD13  ILE  54          HD13      ILE  54   0.972  -2.061  -4.600
  447    H    HIS  55           H        HIS  55   5.649  -0.445  -7.668
  448    HA   HIS  55           HA       HIS  55   7.260   1.820  -7.439
  449    HB2  HIS  55           HB2      HIS  55   7.068   0.517  -9.502
  450    HB3  HIS  55           HB3      HIS  55   5.374   0.971  -9.657
  451    HD1  HIS  55           HD1      HIS  55   4.917   2.914 -11.116
  452    HD2  HIS  55           HD2      HIS  55   8.862   2.846  -9.808
  453    HE1  HIS  55           HE1      HIS  55   6.072   4.756 -12.367
  454    HE2  HIS  55           HE2      HIS  55   8.501   4.511 -11.761
  455    HA   PRO  56           HA       PRO  56   4.508   4.709  -5.522
  456    HB2  PRO  56           HB2      PRO  56   6.027   6.633  -7.238
  457    HB3  PRO  56           HB3      PRO  56   5.619   6.741  -5.520
  458    HG2  PRO  56           HG2      PRO  56   8.063   6.021  -6.281
  459    HG3  PRO  56           HG3      PRO  56   7.276   5.245  -4.895
  460    HD2  PRO  56           HD2      PRO  56   7.772   4.185  -7.626
  461    HD3  PRO  56           HD3      PRO  56   7.672   3.322  -6.078
  462    H    GLN  57           H        GLN  57   5.180   5.586  -8.937
  463    HA   GLN  57           HA       GLN  57   2.386   6.293  -9.280
  464    HB2  GLN  57           HB2      GLN  57   4.700   6.330 -11.221
  465    HB3  GLN  57           HB3      GLN  57   3.067   6.849 -11.615
  466    HG2  GLN  57           HG2      GLN  57   4.799   8.065  -9.473
  467    HG3  GLN  57           HG3      GLN  57   4.568   8.719 -11.094
  468   HE21  GLN  57          HE21      GLN  57   3.090   8.167  -7.989
  469   HE22  GLN  57          HE22      GLN  57   1.733   9.208  -8.230
  470    H    ASN  58           H        ASN  58   1.703   4.103  -8.738
  471    HA   ASN  58           HA       ASN  58   1.609   2.428 -11.155
  472    HB2  ASN  58           HB2      ASN  58   3.017   1.459  -9.289
  473    HB3  ASN  58           HB3      ASN  58   1.563   1.409  -8.305
  474   HD21  ASN  58          HD21      ASN  58   3.313  -0.726  -9.245
  475   HD22  ASN  58          HD22      ASN  58   2.294  -1.832 -10.087
  476    HA   PRO  59           HA       PRO  59  -2.780   3.286 -10.920
  477    HB2  PRO  59           HB2      PRO  59  -2.802   0.616 -12.262
  478    HB3  PRO  59           HB3      PRO  59  -3.658   2.101 -12.693
  479    HG2  PRO  59           HG2      PRO  59  -1.488   1.350 -14.035
  480    HG3  PRO  59           HG3      PRO  59  -1.789   3.057 -13.668
  481    HD2  PRO  59           HD2      PRO  59   0.160   1.171 -12.444
  482    HD3  PRO  59           HD3      PRO  59   0.282   2.925 -12.688
  483    H    SER  60           H        SER  60  -1.360   0.150 -10.053
  484    HA   SER  60           HA       SER  60  -3.632  -0.946  -8.817
  485    HB2  SER  60           HB2      SER  60  -0.785  -1.541  -8.035
  486    HB3  SER  60           HB3      SER  60  -2.181  -2.610  -7.937
  487    HG   SER  60           HG       SER  60  -2.273  -2.349 -10.308
  488    H    LEU  61           H        LEU  61  -1.163   1.247  -7.625
  489    HA   LEU  61           HA       LEU  61  -1.901   0.910  -4.863
  490    HB2  LEU  61           HB2      LEU  61   0.366   1.696  -5.926
  491    HB3  LEU  61           HB3      LEU  61  -0.388   3.276  -5.919
  492    HG   LEU  61           HG       LEU  61   1.057   3.002  -3.985
  493   HD11  LEU  61          HD11      LEU  61  -1.854   3.015  -3.249
  494   HD12  LEU  61          HD12      LEU  61  -0.868   4.409  -3.690
  495   HD13  LEU  61          HD13      LEU  61  -0.533   3.528  -2.198
  496   HD21  LEU  61          HD21      LEU  61   0.524   1.380  -2.215
  497   HD22  LEU  61          HD22      LEU  61   0.991   0.602  -3.729
  498   HD23  LEU  61          HD23      LEU  61  -0.709   0.671  -3.263
  499    H    SER  62           H        SER  62  -2.372   3.408  -7.353
  500    HA   SER  62           HA       SER  62  -3.934   5.167  -5.821
  501    HB2  SER  62           HB2      SER  62  -4.133   4.702  -8.808
  502    HB3  SER  62           HB3      SER  62  -4.565   6.172  -7.934
  503    HG   SER  62           HG       SER  62  -2.554   6.757  -7.995
  504    H    GLN  63           H        GLN  63  -4.914   2.593  -8.077
  505    HA   GLN  63           HA       GLN  63  -7.684   2.885  -7.653
  506    HB2  GLN  63           HB2      GLN  63  -7.981   0.891  -8.860
  507    HB3  GLN  63           HB3      GLN  63  -6.533   1.610  -9.549
  508    HG2  GLN  63           HG2      GLN  63  -5.174   0.104  -8.124
  509    HG3  GLN  63           HG3      GLN  63  -6.663  -0.669  -7.589
  510   HE21  GLN  63          HE21      GLN  63  -7.883  -0.390 -10.265
  511   HE22  GLN  63          HE22      GLN  63  -7.135  -1.599 -11.241
  512    H    TRP  64           H        TRP  64  -5.170   1.278  -5.848
  513    HA   TRP  64           HA       TRP  64  -6.842  -0.408  -4.347
  514    HB2  TRP  64           HB2      TRP  64  -4.424  -0.763  -4.378
  515    HB3  TRP  64           HB3      TRP  64  -4.179   0.771  -3.546
  516    HD1  TRP  64           HD1      TRP  64  -3.376   0.128  -1.184
  517    HE1  TRP  64           HE1      TRP  64  -4.241  -1.414   0.683
  518    HE3  TRP  64           HE3      TRP  64  -7.219  -2.148  -3.695
  519    HZ2  TRP  64           HZ2      TRP  64  -6.281  -3.326   1.045
  520    HZ3  TRP  64           HZ3      TRP  64  -8.577  -3.807  -2.509
  521    HH2  TRP  64           HH2      TRP  64  -8.115  -4.385  -0.190
  522    H    PHE  65           H        PHE  65  -5.875   2.966  -3.884
  523    HA   PHE  65           HA       PHE  65  -7.007   3.346  -1.359
  524    HB2  PHE  65           HB2      PHE  65  -6.870   5.253  -3.705
  525    HB3  PHE  65           HB3      PHE  65  -7.383   5.723  -2.089
  526    HD1  PHE  65           HD2      PHE  65  -5.589   4.661  -0.249
  527    HD2  PHE  65           HD1      PHE  65  -4.771   5.975  -4.210
  528    HE1  PHE  65           HE2      PHE  65  -3.247   5.077   0.377
  529    HE2  PHE  65           HE1      PHE  65  -2.427   6.389  -3.593
  530    HZ   PHE  65           HZ       PHE  65  -1.665   5.945  -1.296
  531    H    GLU  66           H        GLU  66  -8.484   3.412  -4.563
  532    HA   GLU  66           HA       GLU  66 -11.123   4.003  -3.656
  533    HB2  GLU  66           HB2      GLU  66 -10.086   2.778  -6.221
  534    HB3  GLU  66           HB3      GLU  66 -11.772   3.201  -5.955
  535    HG2  GLU  66           HG2      GLU  66  -9.602   5.237  -5.644
  536    HG3  GLU  66           HG3      GLU  66 -10.276   4.849  -7.226
  537    H    HIS  67           H        HIS  67  -9.451   1.017  -4.543
  538    HA   HIS  67           HA       HIS  67 -11.785  -0.605  -4.303
  539    HB2  HIS  67           HB2      HIS  67  -8.861  -1.302  -4.593
  540    HB3  HIS  67           HB3      HIS  67 -10.131  -2.517  -4.495
  541    HD1  HIS  67           HD1      HIS  67  -9.785  -3.389  -6.886
  542    HD2  HIS  67           HD2      HIS  67 -10.616   0.685  -6.706
  543    HE1  HIS  67           HE1      HIS  67 -10.194  -2.671  -9.260
  544    HE2  HIS  67           HE2      HIS  67 -10.463  -0.165  -9.143
  545    H    GLN  68           H        GLN  68  -9.165   0.259  -2.135
  546    HA   GLN  68           HA       GLN  68  -9.775  -1.619  -0.090
  547    HB2  GLN  68           HB2      GLN  68  -7.630  -0.445  -0.156
  548    HB3  GLN  68           HB3      GLN  68  -8.431   1.094   0.062
  549    HG2  GLN  68           HG2      GLN  68  -8.565  -1.109   2.097
  550    HG3  GLN  68           HG3      GLN  68  -7.260   0.068   2.068
  551   HE21  GLN  68          HE21      GLN  68  -8.894   2.332   1.363
  552   HE22  GLN  68          HE22      GLN  68  -9.874   2.705   2.730
  553    H    GLU  69           H        GLU  69 -10.885   1.609  -0.882
  554    HA   GLU  69           HA       GLU  69 -12.368   2.243   1.359
  555    HB2  GLU  69           HB2      GLU  69 -11.992   3.762  -0.543
  556    HB3  GLU  69           HB3      GLU  69 -13.068   2.787  -1.534
  557    HG2  GLU  69           HG2      GLU  69 -14.252   4.717  -0.825
  558    HG3  GLU  69           HG3      GLU  69 -14.912   3.330   0.037
  559    H    ARG  70           H        ARG  70 -13.169   0.070  -1.312
  560    HA   ARG  70           HA       ARG  70 -15.546  -0.721   0.227
  561    HB2  ARG  70           HB2      ARG  70 -16.577  -1.489  -1.816
  562    HB3  ARG  70           HB3      ARG  70 -16.101   0.193  -1.972
  563    HG2  ARG  70           HG2      ARG  70 -14.090  -0.563  -3.235
  564    HG3  ARG  70           HG3      ARG  70 -14.751  -2.204  -3.191
  565    HD2  ARG  70           HD2      ARG  70 -16.845  -1.268  -4.224
  566    HD3  ARG  70           HD3      ARG  70 -15.966   0.240  -4.461
  567    HE   ARG  70           HE       ARG  70 -15.260  -2.328  -5.736
  568   HH11  ARG  70          HH11      ARG  70 -15.205   1.172  -5.660
  569   HH12  ARG  70          HH12      ARG  70 -14.749   1.330  -7.334
  570   HH21  ARG  70          HH21      ARG  70 -14.660  -2.136  -7.931
  571   HH22  ARG  70          HH22      ARG  70 -14.458  -0.558  -8.633
  572    H    LYS  71           H        LYS  71 -12.832  -1.674   0.687
  573    HA   LYS  71           HA       LYS  71 -13.510  -4.515   0.624
  574    HB2  LYS  71           HB2      LYS  71 -11.806  -3.746  -1.269
  575    HB3  LYS  71           HB3      LYS  71 -10.655  -3.814   0.058
  576    HG2  LYS  71           HG2      LYS  71 -11.109  -6.146   0.409
  577    HG3  LYS  71           HG3      LYS  71 -12.435  -6.106  -0.746
  578    HD2  LYS  71           HD2      LYS  71  -9.554  -5.548  -1.433
  579    HD3  LYS  71           HD3      LYS  71 -10.342  -7.115  -1.631
  580    HE2  LYS  71           HE2      LYS  71 -12.023  -5.994  -3.102
  581    HE3  LYS  71           HE3      LYS  71 -11.048  -4.528  -3.003
  582    HZ1  LYS  71           HZ1      LYS  71 -10.203  -7.149  -4.124
  583    HZ2  LYS  71           HZ2      LYS  71  -9.186  -5.807  -3.937
  584    HZ3  LYS  71           HZ3      LYS  71 -10.501  -5.723  -4.992
  585    H    LEU  72           H        LEU  72 -11.079  -5.410   1.910
  586    HA   LEU  72           HA       LEU  72 -10.522  -5.821   4.074
  587    HB2  LEU  72           HB2      LEU  72 -10.319  -2.847   3.847
  588    HB3  LEU  72           HB3      LEU  72 -10.073  -3.609   5.406
  589    HG   LEU  72           HG       LEU  72  -8.193  -4.869   4.543
  590   HD11  LEU  72          HD11      LEU  72  -8.727  -3.491   1.914
  591   HD12  LEU  72          HD12      LEU  72  -8.996  -5.200   2.252
  592   HD13  LEU  72          HD13      LEU  72  -7.360  -4.543   2.280
  593   HD21  LEU  72          HD21      LEU  72  -6.674  -3.015   4.139
  594   HD22  LEU  72          HD22      LEU  72  -7.831  -2.609   5.407
  595   HD23  LEU  72          HD23      LEU  72  -8.039  -1.959   3.780
  596    H    HIS  73           H        HIS  73 -11.952  -2.846   5.065
  597    HA   HIS  73           HA       HIS  73 -14.503  -3.930   5.810
  598    HB2  HIS  73           HB2      HIS  73 -12.784  -4.632   7.627
  599    HB3  HIS  73           HB3      HIS  73 -12.756  -2.927   8.057
  600    HD1  HIS  73           HD1      HIS  73 -14.752  -1.988   9.349
  601    HD2  HIS  73           HD2      HIS  73 -15.228  -5.962   8.209
  602    HE1  HIS  73           HE1      HIS  73 -16.765  -2.818  10.606
  603    HE2  HIS  73           HE2      HIS  73 -16.949  -5.262  10.013
  604    H    GLY  74           H        GLY  74 -12.926  -1.671   4.397
  605    HA2  GLY  74           HA2      GLY  74 -12.989   0.618   4.170
  606    HA3  GLY  74           HA3      GLY  74 -14.450   0.598   5.157
  607    H    THR  75           H        THR  75 -10.941   0.141   5.476
  608    HA   THR  75           HA       THR  75 -11.007   1.665   7.979
  609    HB   THR  75           HB       THR  75  -9.335  -0.075   8.884
  610    HG1  THR  75           HG1      THR  75  -9.155  -1.215   6.863
  611   HG21  THR  75          HG21      THR  75 -12.231  -0.872   8.579
  612   HG22  THR  75          HG22      THR  75 -11.597   0.237   9.793
  613   HG23  THR  75          HG23      THR  75 -11.116  -1.459   9.812
  614    H    LEU  76           H        LEU  76  -9.717   3.343   7.494
  615    HA   LEU  76           HA       LEU  76  -7.008   2.807   6.611
  616    HB2  LEU  76           HB2      LEU  76  -8.413   3.184   4.573
  617    HB3  LEU  76           HB3      LEU  76  -8.750   4.793   5.167
  618    HG   LEU  76           HG       LEU  76  -6.235   5.172   5.114
  619   HD11  LEU  76          HD11      LEU  76  -5.620   2.789   4.956
  620   HD12  LEU  76          HD12      LEU  76  -4.946   3.747   3.638
  621   HD13  LEU  76          HD13      LEU  76  -6.354   2.726   3.354
  622   HD21  LEU  76          HD21      LEU  76  -7.736   6.183   3.502
  623   HD22  LEU  76          HD22      LEU  76  -7.748   4.702   2.547
  624   HD23  LEU  76          HD23      LEU  76  -6.265   5.644   2.694
  625    HA   PRO  77           HA       PRO  77  -6.337   6.022   9.571
  626    HB2  PRO  77           HB2      PRO  77  -3.690   6.284   9.229
  627    HB3  PRO  77           HB3      PRO  77  -4.389   4.811   9.919
  628    HG2  PRO  77           HG2      PRO  77  -3.489   5.329   7.105
  629    HG3  PRO  77           HG3      PRO  77  -3.166   3.924   8.140
  630    HD2  PRO  77           HD2      PRO  77  -5.152   3.955   6.251
  631    HD3  PRO  77           HD3      PRO  77  -5.233   2.993   7.746
  632    H    LYS  78           H        LYS  78  -5.510   8.240   9.691
  633    HA   LYS  78           HA       LYS  78  -6.277   9.673   7.286
  634    HB2  LYS  78           HB2      LYS  78  -5.480  10.744   9.991
  635    HB3  LYS  78           HB3      LYS  78  -6.201  11.670   8.686
  636    HG2  LYS  78           HG2      LYS  78  -8.225  10.249   8.871
  637    HG3  LYS  78           HG3      LYS  78  -7.493   9.473  10.281
  638    HD2  LYS  78           HD2      LYS  78  -8.972  11.221  11.035
  639    HD3  LYS  78           HD3      LYS  78  -7.305  11.712  11.345
  640    HE2  LYS  78           HE2      LYS  78  -7.461  12.871   9.043
  641    HE3  LYS  78           HE3      LYS  78  -9.203  12.692   9.245
  642    HZ1  LYS  78           HZ1      LYS  78  -8.732  14.783  10.093
  643    HZ2  LYS  78           HZ2      LYS  78  -7.308  14.275  10.864
  644    HZ3  LYS  78           HZ3      LYS  78  -8.819  13.819  11.492
  645    H    LEU  79           H        LEU  79  -4.177   8.684   6.308
  646    HA   LEU  79           HA       LEU  79  -1.830  10.287   6.874
  647    HB2  LEU  79           HB2      LEU  79  -2.438   8.046   4.970
  648    HB3  LEU  79           HB3      LEU  79  -0.941   8.937   4.885
  649    HG   LEU  79           HG       LEU  79  -1.002   6.676   6.106
  650   HD11  LEU  79          HD11      LEU  79   0.924   8.148   6.094
  651   HD12  LEU  79          HD12      LEU  79   0.707   7.418   7.684
  652   HD13  LEU  79          HD13      LEU  79   0.227   9.092   7.412
  653   HD21  LEU  79          HD21      LEU  79  -1.532   6.727   8.447
  654   HD22  LEU  79          HD22      LEU  79  -2.955   7.182   7.503
  655   HD23  LEU  79          HD23      LEU  79  -2.010   8.420   8.330
  656    H    ASN  80           H        ASN  80  -4.369  11.350   5.765
  657    HA   ASN  80           HA       ASN  80  -5.190  12.749   4.172
  658    HB2  ASN  80           HB2      ASN  80  -2.255  13.325   3.704
  659    HB3  ASN  80           HB3      ASN  80  -3.590  14.311   3.120
  660   HD21  ASN  80          HD21      ASN  80  -1.644  13.445   5.828
  661   HD22  ASN  80          HD22      ASN  80  -2.277  14.626   6.927
  662    H    PHE  81           H        PHE  81  -4.856  10.054   3.452
  663    HA   PHE  81           HA       PHE  81  -3.558   9.690   0.979
  664    HB2  PHE  81           HB2      PHE  81  -5.568   8.119   2.536
  665    HB3  PHE  81           HB3      PHE  81  -5.190   7.647   0.883
  666    HD1  PHE  81           HD2      PHE  81  -2.318   8.165   0.734
  667    HD2  PHE  81           HD1      PHE  81  -4.642   6.496   3.886
  668    HE1  PHE  81           HE2      PHE  81  -0.343   6.935   1.534
  669    HE2  PHE  81           HE1      PHE  81  -2.672   5.262   4.687
  670    HZ   PHE  81           HZ       PHE  81  -0.521   5.477   3.509
  671    H    GLY  82           H        GLY  82  -6.440  11.312   1.681
  672    HA2  GLY  82           HA2      GLY  82  -7.831  10.742  -0.759
  673    HA3  GLY  82           HA3      GLY  82  -8.185  12.050   0.362
  674    H    MET  83           H        MET  83  -5.010  12.341  -0.230
  675    HA   MET  83           HA       MET  83  -5.250  14.718  -1.704
  676    HB2  MET  83           HB2      MET  83  -2.793  14.689  -1.771
  677    HB3  MET  83           HB3      MET  83  -3.410  14.325  -0.164
  678    HG2  MET  83           HG2      MET  83  -3.056  11.928  -0.595
  679    HG3  MET  83           HG3      MET  83  -2.381  12.327  -2.171
  680    HE1  MET  83           HE1      MET  83  -0.991  10.585   0.233
  681    HE2  MET  83           HE2      MET  83   0.675  11.132   0.043
  682    HE3  MET  83           HE3      MET  83  -0.304  10.782  -1.382
  683    H    LEU  84           H        LEU  84  -5.367  11.558  -2.850
  684    HA   LEU  84           HA       LEU  84  -5.060  12.528  -5.550
  685    HB2  LEU  84           HB2      LEU  84  -3.385  11.127  -6.301
  686    HB3  LEU  84           HB3      LEU  84  -2.793  11.719  -4.763
  687    HG   LEU  84           HG       LEU  84  -4.004   8.999  -5.261
  688   HD11  LEU  84          HD11      LEU  84  -1.736   8.197  -4.791
  689   HD12  LEU  84          HD12      LEU  84  -1.176   9.869  -4.703
  690   HD13  LEU  84          HD13      LEU  84  -1.798   9.225  -6.222
  691   HD21  LEU  84          HD21      LEU  84  -4.520   9.865  -3.049
  692   HD22  LEU  84          HD22      LEU  84  -2.808  10.177  -2.763
  693   HD23  LEU  84          HD23      LEU  84  -3.382   8.520  -2.962
  694    H    ARG  85           H        ARG  85  -6.977  11.000  -3.546
  695    HA   ARG  85           HA       ARG  85  -7.540   8.588  -4.972
  696    HB2  ARG  85           HB2      ARG  85  -9.214  10.069  -2.935
  697    HB3  ARG  85           HB3      ARG  85  -9.609   8.486  -3.591
  698    HG2  ARG  85           HG2      ARG  85  -7.320   7.757  -2.723
  699    HG3  ARG  85           HG3      ARG  85  -7.348   9.252  -1.786
  700    HD2  ARG  85           HD2      ARG  85  -9.366   7.015  -1.679
  701    HD3  ARG  85           HD3      ARG  85  -8.162   7.403  -0.452
  702    HE   ARG  85           HE       ARG  85  -9.665   9.695  -0.769
  703   HH11  ARG  85          HH11      ARG  85 -10.274   6.366   0.092
  704   HH12  ARG  85          HH12      ARG  85 -11.637   6.725   1.104
  705   HH21  ARG  85          HH21      ARG  85 -11.429  10.205   0.576
  706   HH22  ARG  85          HH22      ARG  85 -12.285   8.934   1.402
  707    H    LYS  86           H        LYS  86  -8.486   8.430  -6.839
  708    HA   LYS  86           HA       LYS  86  -9.824   8.780  -8.643
  709    HB2  LYS  86           HB2      LYS  86 -11.650   9.050  -6.935
  710    HB3  LYS  86           HB3      LYS  86 -11.331  10.777  -6.936
  711    HG2  LYS  86           HG2      LYS  86 -13.254  10.253  -8.319
  712    HG3  LYS  86           HG3      LYS  86 -11.935  10.891  -9.302
  713    HD2  LYS  86           HD2      LYS  86 -11.305   8.550  -9.868
  714    HD3  LYS  86           HD3      LYS  86 -12.746   8.001  -9.011
  715    HE2  LYS  86           HE2      LYS  86 -12.748   9.898 -11.350
  716    HE3  LYS  86           HE3      LYS  86 -13.050   8.166 -11.463
  717    HZ1  LYS  86           HZ1      LYS  86 -15.106   9.409 -11.413
  718    HZ2  LYS  86           HZ2      LYS  86 -14.689  10.117  -9.929
  719    HZ3  LYS  86           HZ3      LYS  86 -14.973   8.448 -10.024
  720    H    MET  87           H        MET  87  -7.728  10.810  -7.365
  721    HA   MET  87           HA       MET  87  -8.064  12.969  -9.330
  722    HB2  MET  87           HB2      MET  87  -7.914  13.615  -6.943
  723    HB3  MET  87           HB3      MET  87  -6.349  12.823  -6.835
  724    HG2  MET  87           HG2      MET  87  -5.430  14.418  -8.438
  725    HG3  MET  87           HG3      MET  87  -7.004  15.203  -8.565
  726    HE1  MET  87           HE1      MET  87  -8.211  16.384  -6.490
  727    HE2  MET  87           HE2      MET  87  -7.465  16.582  -4.905
  728    HE3  MET  87           HE3      MET  87  -7.940  14.978  -5.458
  729    H    GLY  88           H        GLY  88  -6.316  10.177  -8.605
  730    HA2  GLY  88           HA2      GLY  88  -4.499  10.671 -10.827
  731    HA3  GLY  88           HA3      GLY  88  -3.778  10.285  -9.268
  Start of MODEL   15
    1    H1   PHE   1           HT1      PHE   1  15.588 -10.529   4.813
    2    H2   PHE   1           HT2      PHE   1  16.329  -9.005   4.927
    3    H3   PHE   1           HT3      PHE   1  17.164 -10.307   4.233
    4    HA   PHE   1           HA       PHE   1  16.321  -8.718   2.594
    5    HB2  PHE   1           HB2      PHE   1  16.727 -11.026   1.911
    6    HB3  PHE   1           HB3      PHE   1  15.133 -11.501   2.490
    7    HD1  PHE   1           HD2      PHE   1  16.857  -9.350   0.017
    8    HD2  PHE   1           HD1      PHE   1  13.262 -11.350   1.102
    9    HE1  PHE   1           HE2      PHE   1  15.899  -8.815  -2.184
   10    HE2  PHE   1           HE1      PHE   1  12.298 -10.813  -1.095
   11    HZ   PHE   1           HZ       PHE   1  13.617  -9.548  -2.740
   12    H    LEU   2           H        LEU   2  13.731 -10.513   4.258
   13    HA   LEU   2           HA       LEU   2  11.591  -9.169   3.042
   14    HB2  LEU   2           HB2      LEU   2  11.300 -11.236   4.326
   15    HB3  LEU   2           HB3      LEU   2  11.742 -10.395   5.801
   16    HG   LEU   2           HG       LEU   2   9.725  -8.927   5.472
   17   HD11  LEU   2          HD11      LEU   2   9.385  -9.233   3.103
   18   HD12  LEU   2          HD12      LEU   2   7.959  -9.788   3.979
   19   HD13  LEU   2          HD13      LEU   2   9.108 -10.959   3.333
   20   HD21  LEU   2          HD21      LEU   2   9.200 -11.883   5.740
   21   HD22  LEU   2          HD22      LEU   2   8.149 -10.583   6.300
   22   HD23  LEU   2          HD23      LEU   2   9.735 -10.812   7.034
   23    H    LEU   3           H        LEU   3  10.634  -7.259   3.410
   24    HA   LEU   3           HA       LEU   3  12.034  -5.296   4.912
   25    HB2  LEU   3           HB2      LEU   3   9.397  -5.265   3.454
   26    HB3  LEU   3           HB3      LEU   3   9.970  -3.879   4.361
   27    HG   LEU   3           HG       LEU   3  10.482  -3.532   2.045
   28   HD11  LEU   3          HD11      LEU   3  12.144  -2.748   3.624
   29   HD12  LEU   3          HD12      LEU   3  12.914  -3.277   2.127
   30   HD13  LEU   3          HD13      LEU   3  12.966  -4.304   3.560
   31   HD21  LEU   3          HD21      LEU   3  10.417  -5.828   1.260
   32   HD22  LEU   3          HD22      LEU   3  11.906  -6.188   2.132
   33   HD23  LEU   3          HD23      LEU   3  11.928  -5.060   0.777
   34    HA   PRO   4           HA       PRO   4  10.388  -6.475   8.862
   35    HB2  PRO   4           HB2      PRO   4  11.390  -3.760   9.542
   36    HB3  PRO   4           HB3      PRO   4  11.727  -5.310  10.317
   37    HG2  PRO   4           HG2      PRO   4  13.548  -4.123   8.777
   38    HG3  PRO   4           HG3      PRO   4  13.344  -5.886   8.765
   39    HD2  PRO   4           HD2      PRO   4  12.449  -3.859   6.762
   40    HD3  PRO   4           HD3      PRO   4  13.056  -5.508   6.509
   41    HA   PRO   5           HA       PRO   5   6.372  -4.604   8.782
   42    HB2  PRO   5           HB2      PRO   5   6.488  -5.184  11.703
   43    HB3  PRO   5           HB3      PRO   5   5.249  -5.619  10.520
   44    HG2  PRO   5           HG2      PRO   5   6.951  -7.453  11.413
   45    HG3  PRO   5           HG3      PRO   5   6.479  -7.422   9.702
   46    HD2  PRO   5           HD2      PRO   5   9.014  -6.497  10.989
   47    HD3  PRO   5           HD3      PRO   5   8.770  -7.314   9.432
   48    H    SER   6           H        SER   6   6.261  -2.481   8.585
   49    HA   SER   6           HA       SER   6   5.986  -0.311   9.171
   50    HB2  SER   6           HB2      SER   6   6.737  -1.199  11.965
   51    HB3  SER   6           HB3      SER   6   6.149   0.409  11.534
   52    HG   SER   6           HG       SER   6   4.242  -0.673  10.701
   53    H    THR   7           H        THR   7   8.610  -1.801   8.586
   54    HA   THR   7           HA       THR   7  10.256   0.622   8.884
   55    HB   THR   7           HB       THR   7  11.388  -2.182   8.850
   56    HG1  THR   7           HG1      THR   7  10.245  -0.764  10.898
   57   HG21  THR   7          HG21      THR   7  12.593   0.493   9.574
   58   HG22  THR   7          HG22      THR   7  12.923  -0.434   8.112
   59   HG23  THR   7          HG23      THR   7  13.417  -1.062   9.682
   60    H    ALA   8           H        ALA   8   9.502   1.271   6.829
   61    HA   ALA   8           HA       ALA   8   9.808  -0.585   4.605
   62    HB1  ALA   8           HB1      ALA   8   8.508   2.128   4.681
   63    HB2  ALA   8           HB2      ALA   8   7.678   0.583   4.877
   64    HB3  ALA   8           HB3      ALA   8   8.454   0.980   3.343
   65    H    CYS   9           H        CYS   9  11.856  -0.626   3.927
   66    HA   CYS   9           HA       CYS   9  12.689   1.757   2.480
   67    HB2  CYS   9           HB2      CYS   9  13.998   1.759   4.608
   68    HB3  CYS   9           HB3      CYS   9  14.629   0.174   4.183
   69    H    CYS  10           H        CYS  10  11.674   0.426   0.874
   70    HA   CYS  10           HA       CYS  10  12.914  -2.087   0.165
   71    HB2  CYS  10           HB2      CYS  10  10.784  -0.504  -1.284
   72    HB3  CYS  10           HB3      CYS  10  11.204  -2.195  -1.556
   73    H    THR  11           H        THR  11  14.749  -2.121  -0.986
   74    HA   THR  11           HA       THR  11  15.451   0.012  -2.779
   75    HB   THR  11           HB       THR  11  17.355  -1.544  -3.397
   76    HG1  THR  11           HG1      THR  11  16.975  -3.562  -2.834
   77   HG21  THR  11          HG21      THR  11  18.514  -1.240  -1.253
   78   HG22  THR  11          HG22      THR  11  16.973  -0.877  -0.476
   79   HG23  THR  11          HG23      THR  11  17.614   0.205  -1.713
   80    H    GLN  12           H        GLN  12  14.351  -3.310  -3.019
   81    HA   GLN  12           HA       GLN  12  13.984  -3.083  -5.882
   82    HB2  GLN  12           HB2      GLN  12  13.002  -5.472  -5.509
   83    HB3  GLN  12           HB3      GLN  12  14.735  -5.217  -5.443
   84    HG2  GLN  12           HG2      GLN  12  14.084  -6.699  -3.681
   85    HG3  GLN  12           HG3      GLN  12  14.606  -5.174  -2.977
   86   HE21  GLN  12          HE21      GLN  12  13.143  -3.932  -1.860
   87   HE22  GLN  12          HE22      GLN  12  11.559  -4.466  -1.464
   88    H    LEU  13           H        LEU  13  11.923  -3.516  -6.890
   89    HA   LEU  13           HA       LEU  13   9.600  -2.986  -5.184
   90    HB2  LEU  13           HB2      LEU  13  10.259  -1.533  -7.748
   91    HB3  LEU  13           HB3      LEU  13   8.727  -1.413  -6.904
   92    HG   LEU  13           HG       LEU  13  11.388  -0.583  -5.735
   93   HD11  LEU  13          HD11      LEU  13  10.640   1.702  -6.075
   94   HD12  LEU  13          HD12      LEU  13   9.178   1.116  -6.865
   95   HD13  LEU  13          HD13      LEU  13  10.752   0.848  -7.615
   96   HD21  LEU  13          HD21      LEU  13  10.019   0.503  -4.029
   97   HD22  LEU  13          HD22      LEU  13   9.751  -1.241  -4.059
   98   HD23  LEU  13          HD23      LEU  13   8.563  -0.152  -4.778
   99    H    TYR  14           H        TYR  14   7.582  -3.675  -6.073
  100    HA   TYR  14           HA       TYR  14   7.895  -6.178  -7.444
  101    HB2  TYR  14           HB2      TYR  14   6.262  -5.523  -5.510
  102    HB3  TYR  14           HB3      TYR  14   5.235  -4.938  -6.814
  103    HD1  TYR  14           HD1      TYR  14   7.159  -7.975  -5.818
  104    HD2  TYR  14           HD2      TYR  14   3.711  -6.413  -7.761
  105    HE1  TYR  14           HE1      TYR  14   6.312 -10.261  -6.138
  106    HE2  TYR  14           HE2      TYR  14   2.858  -8.695  -8.091
  107    HH   TYR  14           HH       TYR  14   4.181 -11.407  -6.507
  108    H    ARG  15           H        ARG  15   6.170  -3.155  -8.147
  109    HA   ARG  15           HA       ARG  15   5.698  -2.073 -10.085
  110    HB2  ARG  15           HB2      ARG  15   7.529  -4.110 -11.351
  111    HB3  ARG  15           HB3      ARG  15   6.904  -2.675 -12.150
  112    HG2  ARG  15           HG2      ARG  15   8.096  -1.259 -10.570
  113    HG3  ARG  15           HG3      ARG  15   8.701  -2.694  -9.734
  114    HD2  ARG  15           HD2      ARG  15   9.768  -3.408 -11.856
  115    HD3  ARG  15           HD3      ARG  15   9.268  -1.880 -12.579
  116    HE   ARG  15           HE       ARG  15  10.633  -0.878 -10.646
  117   HH11  ARG  15          HH11      ARG  15  11.362  -3.842 -12.344
  118   HH12  ARG  15          HH12      ARG  15  13.073  -3.755 -12.049
  119   HH21  ARG  15          HH21      ARG  15  12.884  -0.729 -10.263
  120   HH22  ARG  15          HH22      ARG  15  13.940  -1.984 -10.848
  121    H    LYS  16           H        LYS  16   4.477  -4.940  -9.343
  122    HA   LYS  16           HA       LYS  16   2.968  -5.156 -11.860
  123    HB2  LYS  16           HB2      LYS  16   3.685  -7.329  -9.892
  124    HB3  LYS  16           HB3      LYS  16   2.557  -7.541 -11.225
  125    HG2  LYS  16           HG2      LYS  16   4.447  -6.867 -12.761
  126    HG3  LYS  16           HG3      LYS  16   5.513  -7.014 -11.362
  127    HD2  LYS  16           HD2      LYS  16   3.736  -9.204 -12.434
  128    HD3  LYS  16           HD3      LYS  16   5.470  -9.061 -12.735
  129    HE2  LYS  16           HE2      LYS  16   5.961  -9.364 -10.410
  130    HE3  LYS  16           HE3      LYS  16   4.252  -9.268  -9.986
  131    HZ1  LYS  16           HZ1      LYS  16   5.226 -11.560 -10.068
  132    HZ2  LYS  16           HZ2      LYS  16   5.356 -11.381 -11.750
  133    HZ3  LYS  16           HZ3      LYS  16   3.829 -11.333 -11.005
  134    HA   PRO  17           HA       PRO  17  -0.765  -4.353  -9.605
  135    HB2  PRO  17           HB2      PRO  17  -2.087  -6.313 -11.366
  136    HB3  PRO  17           HB3      PRO  17  -2.391  -4.583 -11.181
  137    HG2  PRO  17           HG2      PRO  17  -1.219  -5.570 -13.380
  138    HG3  PRO  17           HG3      PRO  17  -0.762  -3.995 -12.703
  139    HD2  PRO  17           HD2      PRO  17   0.636  -6.634 -12.467
  140    HD3  PRO  17           HD3      PRO  17   1.319  -5.017 -12.739
  141    H    LEU  18           H        LEU  18  -1.312  -5.162  -7.713
  142    HA   LEU  18           HA       LEU  18  -0.791  -7.908  -7.061
  143    HB2  LEU  18           HB2      LEU  18  -2.135  -5.755  -5.426
  144    HB3  LEU  18           HB3      LEU  18  -1.592  -7.309  -4.819
  145    HG   LEU  18           HG       LEU  18   0.139  -5.054  -5.835
  146   HD11  LEU  18          HD11      LEU  18  -0.710  -4.736  -3.577
  147   HD12  LEU  18          HD12      LEU  18   1.023  -5.072  -3.550
  148   HD13  LEU  18          HD13      LEU  18  -0.129  -6.337  -3.116
  149   HD21  LEU  18          HD21      LEU  18   0.962  -7.804  -4.903
  150   HD22  LEU  18          HD22      LEU  18   2.049  -6.473  -5.299
  151   HD23  LEU  18          HD23      LEU  18   1.053  -7.202  -6.559
  152    H    SER  19           H        SER  19  -2.244  -9.514  -6.648
  153    HA   SER  19           HA       SER  19  -4.677  -9.424  -8.100
  154    HB2  SER  19           HB2      SER  19  -3.860 -11.524  -6.087
  155    HB3  SER  19           HB3      SER  19  -4.900 -11.724  -7.498
  156    HG   SER  19           HG       SER  19  -3.186 -11.751  -8.799
  157    H    ASP  20           H        ASP  20  -6.797  -9.529  -7.352
  158    HA   ASP  20           HA       ASP  20  -7.488  -7.819  -5.247
  159    HB2  ASP  20           HB2      ASP  20  -8.960  -8.389  -7.163
  160    HB3  ASP  20           HB3      ASP  20  -9.162 -10.004  -6.499
  161    H    LYS  21           H        LYS  21  -7.004 -11.232  -5.348
  162    HA   LYS  21           HA       LYS  21  -8.313 -11.939  -2.950
  163    HB2  LYS  21           HB2      LYS  21  -6.109 -13.343  -4.461
  164    HB3  LYS  21           HB3      LYS  21  -7.055 -14.060  -3.163
  165    HG2  LYS  21           HG2      LYS  21  -8.179 -13.050  -5.768
  166    HG3  LYS  21           HG3      LYS  21  -7.827 -14.737  -5.394
  167    HD2  LYS  21           HD2      LYS  21  -9.798 -12.970  -3.940
  168    HD3  LYS  21           HD3      LYS  21 -10.204 -14.241  -5.094
  169    HE2  LYS  21           HE2      LYS  21  -8.806 -14.619  -2.448
  170    HE3  LYS  21           HE3      LYS  21 -10.487 -15.015  -2.798
  171    HZ1  LYS  21           HZ1      LYS  21  -8.188 -16.238  -4.228
  172    HZ2  LYS  21           HZ2      LYS  21  -9.814 -16.721  -4.282
  173    HZ3  LYS  21           HZ3      LYS  21  -8.916 -16.926  -2.862
  174    H    LEU  22           H        LEU  22  -4.961 -11.091  -3.692
  175    HA   LEU  22           HA       LEU  22  -4.037 -11.455  -0.998
  176    HB2  LEU  22           HB2      LEU  22  -2.641  -9.502  -2.733
  177    HB3  LEU  22           HB3      LEU  22  -1.984 -10.807  -1.766
  178    HG   LEU  22           HG       LEU  22  -3.318 -11.125  -4.447
  179   HD11  LEU  22          HD11      LEU  22  -0.409 -11.246  -3.665
  180   HD12  LEU  22          HD12      LEU  22  -1.182  -9.988  -4.631
  181   HD13  LEU  22          HD13      LEU  22  -1.063 -11.632  -5.259
  182   HD21  LEU  22          HD21      LEU  22  -1.849 -13.134  -2.742
  183   HD22  LEU  22          HD22      LEU  22  -2.501 -13.419  -4.356
  184   HD23  LEU  22          HD23      LEU  22  -3.593 -13.089  -3.011
  185    H    LEU  23           H        LEU  23  -5.341  -8.925  -2.958
  186    HA   LEU  23           HA       LEU  23  -4.647  -6.736  -1.371
  187    HB2  LEU  23           HB2      LEU  23  -6.639  -7.210  -3.548
  188    HB3  LEU  23           HB3      LEU  23  -6.610  -5.673  -2.713
  189    HG   LEU  23           HG       LEU  23  -4.366  -6.910  -4.310
  190   HD11  LEU  23          HD11      LEU  23  -6.035  -4.443  -4.753
  191   HD12  LEU  23          HD12      LEU  23  -6.068  -5.927  -5.705
  192   HD13  LEU  23          HD13      LEU  23  -4.630  -4.904  -5.714
  193   HD21  LEU  23          HD21      LEU  23  -4.398  -4.382  -2.673
  194   HD22  LEU  23          HD22      LEU  23  -3.159  -4.791  -3.858
  195   HD23  LEU  23          HD23      LEU  23  -3.376  -5.800  -2.430
  196    H    ARG  24           H        ARG  24  -7.608  -8.706  -1.429
  197    HA   ARG  24           HA       ARG  24  -9.044  -7.151   0.447
  198    HB2  ARG  24           HB2      ARG  24 -10.439  -9.180   0.743
  199    HB3  ARG  24           HB3      ARG  24 -10.191  -8.752  -0.944
  200    HG2  ARG  24           HG2      ARG  24  -8.485 -10.468  -1.152
  201    HG3  ARG  24           HG3      ARG  24  -8.685 -10.886   0.551
  202    HD2  ARG  24           HD2      ARG  24 -10.930 -11.006  -1.447
  203    HD3  ARG  24           HD3      ARG  24  -9.865 -12.371  -1.116
  204    HE   ARG  24           HE       ARG  24 -10.760 -11.662   1.347
  205   HH11  ARG  24          HH11      ARG  24 -12.426 -12.241  -1.674
  206   HH12  ARG  24          HH12      ARG  24 -13.776 -13.052  -0.931
  207   HH21  ARG  24          HH21      ARG  24 -12.544 -12.721   2.344
  208   HH22  ARG  24          HH22      ARG  24 -13.847 -13.306   1.357
  209    H    LYS  25           H        LYS  25  -6.207  -8.665   0.964
  210    HA   LYS  25           HA       LYS  25  -6.825  -9.254   3.777
  211    HB2  LYS  25           HB2      LYS  25  -4.699 -10.478   2.030
  212    HB3  LYS  25           HB3      LYS  25  -4.911 -10.807   3.745
  213    HG2  LYS  25           HG2      LYS  25  -7.200 -11.637   3.232
  214    HG3  LYS  25           HG3      LYS  25  -6.826 -11.452   1.516
  215    HD2  LYS  25           HD2      LYS  25  -5.391 -13.219   3.492
  216    HD3  LYS  25           HD3      LYS  25  -6.471 -13.743   2.199
  217    HE2  LYS  25           HE2      LYS  25  -4.923 -12.837   0.542
  218    HE3  LYS  25           HE3      LYS  25  -3.853 -12.300   1.835
  219    HZ1  LYS  25           HZ1      LYS  25  -3.583 -14.615   2.510
  220    HZ2  LYS  25           HZ2      LYS  25  -3.090 -14.384   0.900
  221    HZ3  LYS  25           HZ3      LYS  25  -4.584 -15.118   1.237
  222    H    VAL  26           H        VAL  26  -5.775  -6.830   2.115
  223    HA   VAL  26           HA       VAL  26  -3.257  -6.260   3.340
  224    HB   VAL  26           HB       VAL  26  -5.184  -4.686   1.650
  225   HG11  VAL  26          HG11      VAL  26  -2.670  -3.652   2.942
  226   HG12  VAL  26          HG12      VAL  26  -4.314  -3.111   3.262
  227   HG13  VAL  26          HG13      VAL  26  -3.583  -2.823   1.685
  228   HG21  VAL  26          HG21      VAL  26  -3.265  -4.647   0.111
  229   HG22  VAL  26          HG22      VAL  26  -3.756  -6.290   0.524
  230   HG23  VAL  26          HG23      VAL  26  -2.331  -5.581   1.281
  231    H    ILE  27           H        ILE  27  -2.871  -5.066   5.138
  232    HA   ILE  27           HA       ILE  27  -5.256  -4.362   6.723
  233    HB   ILE  27           HB       ILE  27  -3.822  -4.646   8.733
  234   HG12  ILE  27          HG12      ILE  27  -1.840  -5.807   6.757
  235   HG13  ILE  27          HG13      ILE  27  -1.640  -4.295   7.633
  236   HG21  ILE  27          HG21      ILE  27  -4.050  -7.058   6.938
  237   HG22  ILE  27          HG22      ILE  27  -5.303  -6.428   8.009
  238   HG23  ILE  27          HG23      ILE  27  -3.819  -7.099   8.686
  239   HD11  ILE  27          HD11      ILE  27  -1.819  -7.031   8.871
  240   HD12  ILE  27          HD12      ILE  27  -1.584  -5.512   9.736
  241   HD13  ILE  27          HD13      ILE  27  -0.344  -6.094   8.625
  242    H    GLN  28           H        GLN  28  -2.309  -3.187   5.365
  243    HA   GLN  28           HA       GLN  28  -2.844  -0.533   6.434
  244    HB2  GLN  28           HB2      GLN  28  -0.306  -2.080   6.935
  245    HB3  GLN  28           HB3      GLN  28  -0.347  -0.324   6.984
  246    HG2  GLN  28           HG2      GLN  28  -2.051  -2.118   8.697
  247    HG3  GLN  28           HG3      GLN  28  -0.524  -1.394   9.205
  248   HE21  GLN  28          HE21      GLN  28  -3.240  -1.060  10.260
  249   HE22  GLN  28          HE22      GLN  28  -3.556   0.647  10.194
  250    H    VAL  29           H        VAL  29  -2.031   1.128   5.198
  251    HA   VAL  29           HA       VAL  29  -0.428   0.402   2.846
  252    HB   VAL  29           HB       VAL  29  -2.616   0.969   2.012
  253   HG11  VAL  29          HG11      VAL  29  -3.510   2.184   3.904
  254   HG12  VAL  29          HG12      VAL  29  -3.675   3.149   2.437
  255   HG13  VAL  29          HG13      VAL  29  -2.403   3.521   3.600
  256   HG21  VAL  29          HG21      VAL  29  -0.731   1.783   0.710
  257   HG22  VAL  29          HG22      VAL  29  -0.735   3.294   1.626
  258   HG23  VAL  29          HG23      VAL  29  -2.102   2.887   0.586
  259    H    GLU  30           H        GLU  30   1.532   1.319   2.920
  260    HA   GLU  30           HA       GLU  30   1.848   3.562   4.801
  261    HB2  GLU  30           HB2      GLU  30   4.027   2.583   5.422
  262    HB3  GLU  30           HB3      GLU  30   2.674   1.522   5.790
  263    HG2  GLU  30           HG2      GLU  30   3.184   0.394   3.550
  264    HG3  GLU  30           HG3      GLU  30   4.717   1.268   3.618
  265    H    LEU  31           H        LEU  31   3.291   5.169   4.329
  266    HA   LEU  31           HA       LEU  31   4.239   5.219   1.557
  267    HB2  LEU  31           HB2      LEU  31   2.829   7.086   2.151
  268    HB3  LEU  31           HB3      LEU  31   3.807   7.433   3.562
  269    HG   LEU  31           HG       LEU  31   5.678   8.092   2.134
  270   HD11  LEU  31          HD11      LEU  31   5.377   8.313  -0.283
  271   HD12  LEU  31          HD12      LEU  31   3.799   7.532  -0.157
  272   HD13  LEU  31          HD13      LEU  31   5.264   6.632   0.239
  273   HD21  LEU  31          HD21      LEU  31   4.691  10.130   1.201
  274   HD22  LEU  31          HD22      LEU  31   4.084   9.790   2.821
  275   HD23  LEU  31          HD23      LEU  31   3.080   9.442   1.412
  276    H    GLN  32           H        GLN  32   6.227   4.569   1.299
  277    HA   GLN  32           HA       GLN  32   8.266   4.895   3.320
  278    HB2  GLN  32           HB2      GLN  32   8.404   2.900   2.063
  279    HB3  GLN  32           HB3      GLN  32   8.210   3.754   0.538
  280    HG2  GLN  32           HG2      GLN  32  10.405   4.775   0.833
  281    HG3  GLN  32           HG3      GLN  32  10.599   3.906   2.356
  282   HE21  GLN  32          HE21      GLN  32  12.029   3.877  -0.257
  283   HE22  GLN  32          HE22      GLN  32  12.094   2.207  -0.694
  284    H    GLU  33           H        GLU  33   8.919   6.941   3.635
  285    HA   GLU  33           HA       GLU  33   8.925   8.897   1.566
  286    HB2  GLU  33           HB2      GLU  33  10.132   8.890   4.332
  287    HB3  GLU  33           HB3      GLU  33  10.194  10.278   3.255
  288    HG2  GLU  33           HG2      GLU  33   7.742  10.333   3.207
  289    HG3  GLU  33           HG3      GLU  33   7.705   8.969   4.325
  290    H    ALA  34           H        ALA  34  10.635   9.881   0.522
  291    HA   ALA  34           HA       ALA  34  12.874   8.187  -0.094
  292    HB1  ALA  34           HB1      ALA  34  11.797   9.558  -1.810
  293    HB2  ALA  34           HB2      ALA  34  13.507   9.963  -1.648
  294    HB3  ALA  34           HB3      ALA  34  12.279  11.022  -0.950
  295    H    ASP  35           H        ASP  35  12.261  10.078   2.453
  296    HA   ASP  35           HA       ASP  35  15.023  10.188   3.212
  297    HB2  ASP  35           HB2      ASP  35  15.047  12.562   3.817
  298    HB3  ASP  35           HB3      ASP  35  14.786  12.366   2.091
  299    H    GLY  36           H        GLY  36  14.976   9.217   5.084
  300    HA2  GLY  36           HA2      GLY  36  14.259   9.472   7.459
  301    HA3  GLY  36           HA3      GLY  36  12.626   9.620   6.825
  302    H    ASP  37           H        ASP  37  11.717   7.760   5.696
  303    HA   ASP  37           HA       ASP  37  12.165   5.313   7.053
  304    HB2  ASP  37           HB2      ASP  37  10.703   5.798   4.442
  305    HB3  ASP  37           HB3      ASP  37  10.626   4.321   5.395
  306    H    CYS  38           H        CYS  38  13.159   6.567   3.929
  307    HA   CYS  38           HA       CYS  38  15.220   4.564   3.684
  308    HB2  CYS  38           HB2      CYS  38  12.974   3.622   2.799
  309    HB3  CYS  38           HB3      CYS  38  13.200   4.742   1.463
  310    H    HIS  39           H        HIS  39  15.939   4.906   1.083
  311    HA   HIS  39           HA       HIS  39  16.533   7.773   0.970
  312    HB2  HIS  39           HB2      HIS  39  17.812   5.423  -0.438
  313    HB3  HIS  39           HB3      HIS  39  18.259   7.103  -0.717
  314    HD1  HIS  39           HD1      HIS  39  19.526   8.332   1.202
  315    HD2  HIS  39           HD2      HIS  39  18.821   4.289   1.883
  316    HE1  HIS  39           HE1      HIS  39  20.981   7.708   3.158
  317    HE2  HIS  39           HE2      HIS  39  20.708   5.217   3.390
  318    H    LEU  40           H        LEU  40  14.721   5.325  -0.601
  319    HA   LEU  40           HA       LEU  40  14.012   7.238  -2.719
  320    HB2  LEU  40           HB2      LEU  40  13.452   5.380  -4.159
  321    HB3  LEU  40           HB3      LEU  40  15.117   5.246  -3.631
  322    HG   LEU  40           HG       LEU  40  13.251   3.788  -1.916
  323   HD11  LEU  40          HD11      LEU  40  12.872   1.983  -3.552
  324   HD12  LEU  40          HD12      LEU  40  13.529   3.022  -4.817
  325   HD13  LEU  40          HD13      LEU  40  12.044   3.482  -3.982
  326   HD21  LEU  40          HD21      LEU  40  15.662   3.545  -1.756
  327   HD22  LEU  40          HD22      LEU  40  15.744   3.035  -3.443
  328   HD23  LEU  40          HD23      LEU  40  14.931   2.017  -2.252
  329    H    GLN  41           H        GLN  41  11.740   6.977  -3.484
  330    HA   GLN  41           HA       GLN  41  10.054   6.688  -1.099
  331    HB2  GLN  41           HB2      GLN  41  10.099   8.902  -2.190
  332    HB3  GLN  41           HB3      GLN  41   9.518   8.169  -3.680
  333    HG2  GLN  41           HG2      GLN  41   7.471   7.474  -2.503
  334    HG3  GLN  41           HG3      GLN  41   8.047   8.307  -1.060
  335   HE21  GLN  41          HE21      GLN  41   8.136  10.570  -1.044
  336   HE22  GLN  41          HE22      GLN  41   7.253  11.515  -2.194
  337    H    ALA  42           H        ALA  42   8.310   5.363  -1.056
  338    HA   ALA  42           HA       ALA  42   7.324   4.133  -3.487
  339    HB1  ALA  42           HB1      ALA  42   8.556   2.450  -1.306
  340    HB2  ALA  42           HB2      ALA  42   9.186   2.663  -2.940
  341    HB3  ALA  42           HB3      ALA  42   7.649   1.837  -2.687
  342    H    PHE  43           H        PHE  43   5.235   3.494  -3.315
  343    HA   PHE  43           HA       PHE  43   3.935   3.768  -0.715
  344    HB2  PHE  43           HB2      PHE  43   2.987   3.728  -3.539
  345    HB3  PHE  43           HB3      PHE  43   1.889   3.125  -2.303
  346    HD1  PHE  43           HD2      PHE  43   0.969   4.593  -0.630
  347    HD2  PHE  43           HD1      PHE  43   3.592   6.065  -3.638
  348    HE1  PHE  43           HE2      PHE  43   0.286   6.898  -0.091
  349    HE2  PHE  43           HE1      PHE  43   2.916   8.371  -3.106
  350    HZ   PHE  43           HZ       PHE  43   1.263   8.789  -1.331
  351    H    VAL  44           H        VAL  44   4.043   2.037   0.512
  352    HA   VAL  44           HA       VAL  44   4.314  -0.566  -0.807
  353    HB   VAL  44           HB       VAL  44   5.211   0.319   1.939
  354   HG11  VAL  44          HG11      VAL  44   5.634  -2.313   0.520
  355   HG12  VAL  44          HG12      VAL  44   4.632  -2.048   1.950
  356   HG13  VAL  44          HG13      VAL  44   6.382  -1.838   2.046
  357   HG21  VAL  44          HG21      VAL  44   7.471   0.090   0.971
  358   HG22  VAL  44          HG22      VAL  44   6.506   1.322   0.153
  359   HG23  VAL  44          HG23      VAL  44   6.739  -0.255  -0.599
  360    H    LEU  45           H        LEU  45   2.979  -2.217  -0.334
  361    HA   LEU  45           HA       LEU  45   0.636  -1.521   1.288
  362    HB2  LEU  45           HB2      LEU  45   0.940  -3.589  -0.890
  363    HB3  LEU  45           HB3      LEU  45  -0.542  -3.246  -0.013
  364    HG   LEU  45           HG       LEU  45   0.922  -1.342  -1.841
  365   HD11  LEU  45          HD11      LEU  45  -1.032  -1.533  -3.262
  366   HD12  LEU  45          HD12      LEU  45  -1.762  -2.677  -2.135
  367   HD13  LEU  45          HD13      LEU  45  -0.296  -3.116  -3.012
  368   HD21  LEU  45          HD21      LEU  45  -1.619  -0.957  -0.266
  369   HD22  LEU  45          HD22      LEU  45  -0.968   0.167  -1.457
  370   HD23  LEU  45          HD23      LEU  45  -0.079  -0.152   0.031
  371    H    HIS  46           H        HIS  46   0.054  -2.699   2.997
  372    HA   HIS  46           HA       HIS  46   2.050  -4.704   3.827
  373    HB2  HIS  46           HB2      HIS  46   1.785  -2.379   4.991
  374    HB3  HIS  46           HB3      HIS  46   0.381  -3.122   5.748
  375    HD1  HIS  46           HD1      HIS  46   3.989  -2.801   6.008
  376    HD2  HIS  46           HD2      HIS  46   1.078  -5.432   7.395
  377    HE1  HIS  46           HE1      HIS  46   5.072  -4.092   7.879
  378    HE2  HIS  46           HE2      HIS  46   3.208  -5.469   8.863
  379    H    LEU  47           H        LEU  47   1.274  -6.693   3.835
  380    HA   LEU  47           HA       LEU  47  -1.528  -7.149   4.569
  381    HB2  LEU  47           HB2      LEU  47   0.552  -9.000   3.391
  382    HB3  LEU  47           HB3      LEU  47  -1.038  -9.526   3.902
  383    HG   LEU  47           HG       LEU  47  -1.951  -7.814   2.219
  384   HD11  LEU  47          HD11      LEU  47   0.137  -6.601   1.851
  385   HD12  LEU  47          HD12      LEU  47  -0.482  -7.289   0.351
  386   HD13  LEU  47          HD13      LEU  47   0.869  -8.059   1.183
  387   HD21  LEU  47          HD21      LEU  47  -2.075 -10.231   1.919
  388   HD22  LEU  47          HD22      LEU  47  -0.447 -10.235   1.238
  389   HD23  LEU  47          HD23      LEU  47  -1.757  -9.415   0.389
  390    H    ALA  48           H        ALA  48  -1.783  -9.208   5.975
  391    HA   ALA  48           HA       ALA  48  -0.820  -8.579   8.501
  392    HB1  ALA  48           HB1      ALA  48  -2.866  -9.851   8.084
  393    HB2  ALA  48           HB2      ALA  48  -1.813 -10.657   9.247
  394    HB3  ALA  48           HB3      ALA  48  -1.897 -11.236   7.584
  395    H    GLN  49           H        GLN  49   0.702 -10.497   6.050
  396    HA   GLN  49           HA       GLN  49   2.826 -11.168   7.961
  397    HB2  GLN  49           HB2      GLN  49   1.807 -13.114   5.886
  398    HB3  GLN  49           HB3      GLN  49   3.056 -13.408   7.086
  399    HG2  GLN  49           HG2      GLN  49   1.435 -14.346   8.282
  400    HG3  GLN  49           HG3      GLN  49   0.924 -12.700   8.638
  401   HE21  GLN  49          HE21      GLN  49   0.086 -12.278   5.850
  402   HE22  GLN  49          HE22      GLN  49  -1.409 -13.120   5.693
  403    H    ARG  50           H        ARG  50   2.123  -9.543   5.236
  404    HA   ARG  50           HA       ARG  50   4.731 -10.073   4.013
  405    HB2  ARG  50           HB2      ARG  50   2.140 -10.053   2.447
  406    HB3  ARG  50           HB3      ARG  50   3.754 -10.230   1.773
  407    HG2  ARG  50           HG2      ARG  50   4.025 -12.347   2.923
  408    HG3  ARG  50           HG3      ARG  50   2.434 -12.165   3.663
  409    HD2  ARG  50           HD2      ARG  50   2.234 -13.646   1.796
  410    HD3  ARG  50           HD3      ARG  50   1.448 -12.123   1.384
  411    HE   ARG  50           HE       ARG  50   3.759 -11.662   0.270
  412   HH11  ARG  50          HH11      ARG  50   2.063 -14.721   0.395
  413   HH12  ARG  50          HH12      ARG  50   2.737 -15.304  -1.099
  414   HH21  ARG  50          HH21      ARG  50   4.630 -12.400  -1.690
  415   HH22  ARG  50          HH22      ARG  50   4.188 -13.968  -2.302
  416    H    SER  51           H        SER  51   5.596  -8.343   2.869
  417    HA   SER  51           HA       SER  51   3.979  -5.885   2.771
  418    HB2  SER  51           HB2      SER  51   6.967  -5.977   3.297
  419    HB3  SER  51           HB3      SER  51   5.911  -4.566   3.371
  420    HG   SER  51           HG       SER  51   6.566  -5.971   5.380
  421    H    ILE  52           H        ILE  52   3.781  -5.109   0.769
  422    HA   ILE  52           HA       ILE  52   5.674  -6.103  -1.265
  423    HB   ILE  52           HB       ILE  52   2.767  -5.351  -1.630
  424   HG12  ILE  52          HG12      ILE  52   4.130  -8.052  -1.712
  425   HG13  ILE  52          HG13      ILE  52   3.133  -7.465  -0.390
  426   HG21  ILE  52          HG21      ILE  52   3.069  -6.287  -3.902
  427   HG22  ILE  52          HG22      ILE  52   4.799  -6.434  -3.578
  428   HG23  ILE  52          HG23      ILE  52   4.039  -4.842  -3.615
  429   HD11  ILE  52          HD11      ILE  52   2.211  -8.001  -3.203
  430   HD12  ILE  52          HD12      ILE  52   1.202  -7.394  -1.890
  431   HD13  ILE  52          HD13      ILE  52   1.905  -9.009  -1.790
  432    H    CYS  53           H        CYS  53   6.770  -4.640  -2.424
  433    HA   CYS  53           HA       CYS  53   6.366  -1.841  -1.651
  434    HB2  CYS  53           HB2      CYS  53   8.812  -3.086  -2.917
  435    HB3  CYS  53           HB3      CYS  53   8.705  -1.533  -2.092
  436    H    ILE  54           H        ILE  54   5.687  -0.405  -3.076
  437    HA   ILE  54           HA       ILE  54   5.901  -1.004  -5.948
  438    HB   ILE  54           HB       ILE  54   3.452  -0.142  -4.408
  439   HG12  ILE  54          HG12      ILE  54   3.974  -2.463  -6.278
  440   HG13  ILE  54          HG13      ILE  54   3.843  -2.558  -4.526
  441   HG21  ILE  54          HG21      ILE  54   3.850  -0.136  -7.389
  442   HG22  ILE  54          HG22      ILE  54   3.614   1.272  -6.354
  443   HG23  ILE  54          HG23      ILE  54   2.309   0.102  -6.563
  444   HD11  ILE  54          HD11      ILE  54   1.507  -1.865  -4.663
  445   HD12  ILE  54          HD12      ILE  54   1.808  -3.316  -5.619
  446   HD13  ILE  54          HD13      ILE  54   1.642  -1.753  -6.419
  447    H    HIS  55           H        HIS  55   6.606   0.709  -7.155
  448    HA   HIS  55           HA       HIS  55   7.184   3.224  -5.974
  449    HB2  HIS  55           HB2      HIS  55   7.716   4.009  -8.239
  450    HB3  HIS  55           HB3      HIS  55   8.450   2.442  -7.936
  451    HD1  HIS  55           HD1      HIS  55   7.310   4.040 -10.678
  452    HD2  HIS  55           HD2      HIS  55   6.103   0.453  -8.940
  453    HE1  HIS  55           HE1      HIS  55   6.192   2.735 -12.512
  454    HE2  HIS  55           HE2      HIS  55   5.328   0.647 -11.400
  455    HA   PRO  56           HA       PRO  56   3.288   5.148  -5.677
  456    HB2  PRO  56           HB2      PRO  56   4.654   7.570  -6.751
  457    HB3  PRO  56           HB3      PRO  56   3.686   7.381  -5.285
  458    HG2  PRO  56           HG2      PRO  56   6.336   7.533  -5.145
  459    HG3  PRO  56           HG3      PRO  56   5.433   6.427  -4.095
  460    HD2  PRO  56           HD2      PRO  56   7.070   5.833  -6.517
  461    HD3  PRO  56           HD3      PRO  56   6.846   4.875  -5.041
  462    H    GLN  57           H        GLN  57   5.114   5.692  -8.632
  463    HA   GLN  57           HA       GLN  57   2.777   6.525 -10.115
  464    HB2  GLN  57           HB2      GLN  57   5.576   5.920 -11.099
  465    HB3  GLN  57           HB3      GLN  57   4.309   6.727 -12.010
  466    HG2  GLN  57           HG2      GLN  57   5.781   8.409 -11.284
  467    HG3  GLN  57           HG3      GLN  57   4.350   8.535 -10.268
  468   HE21  GLN  57          HE21      GLN  57   5.459   9.600  -8.636
  469   HE22  GLN  57          HE22      GLN  57   6.605   8.793  -7.620
  470    H    ASN  58           H        ASN  58   1.980   4.222  -9.258
  471    HA   ASN  58           HA       ASN  58   2.273   2.389 -11.538
  472    HB2  ASN  58           HB2      ASN  58   3.688   1.743  -9.468
  473    HB3  ASN  58           HB3      ASN  58   2.151   1.335  -8.723
  474   HD21  ASN  58          HD21      ASN  58   1.077  -0.498  -9.363
  475   HD22  ASN  58          HD22      ASN  58   1.744  -1.659 -10.458
  476    HA   PRO  59           HA       PRO  59  -2.131   2.691 -11.598
  477    HB2  PRO  59           HB2      PRO  59  -1.881  -0.084 -12.666
  478    HB3  PRO  59           HB3      PRO  59  -2.778   1.294 -13.313
  479    HG2  PRO  59           HG2      PRO  59  -0.478   0.560 -14.413
  480    HG3  PRO  59           HG3      PRO  59  -0.876   2.278 -14.214
  481    HD2  PRO  59           HD2      PRO  59   1.005   0.571 -12.647
  482    HD3  PRO  59           HD3      PRO  59   1.140   2.284 -13.096
  483    H    SER  60           H        SER  60  -0.635  -0.294 -10.384
  484    HA   SER  60           HA       SER  60  -2.885  -1.403  -9.166
  485    HB2  SER  60           HB2      SER  60  -0.538  -2.435  -9.484
  486    HB3  SER  60           HB3      SER  60  -0.148  -1.647  -7.956
  487    HG   SER  60           HG       SER  60  -2.152  -2.764  -7.184
  488    H    LEU  61           H        LEU  61  -0.679   1.093  -8.016
  489    HA   LEU  61           HA       LEU  61  -1.585   0.904  -5.297
  490    HB2  LEU  61           HB2      LEU  61   0.707   1.722  -6.310
  491    HB3  LEU  61           HB3      LEU  61  -0.108   3.270  -6.372
  492    HG   LEU  61           HG       LEU  61   1.284   3.033  -4.363
  493   HD11  LEU  61          HD11      LEU  61  -0.395   3.674  -2.703
  494   HD12  LEU  61          HD12      LEU  61  -1.668   3.117  -3.789
  495   HD13  LEU  61          HD13      LEU  61  -0.651   4.483  -4.248
  496   HD21  LEU  61          HD21      LEU  61   0.649   1.478  -2.588
  497   HD22  LEU  61          HD22      LEU  61   1.119   0.625  -4.060
  498   HD23  LEU  61          HD23      LEU  61  -0.586   0.783  -3.641
  499    H    SER  62           H        SER  62  -2.029   3.201  -7.979
  500    HA   SER  62           HA       SER  62  -3.749   4.967  -6.611
  501    HB2  SER  62           HB2      SER  62  -2.616   5.488  -8.771
  502    HB3  SER  62           HB3      SER  62  -3.699   4.362  -9.582
  503    HG   SER  62           HG       SER  62  -4.350   6.613  -9.675
  504    H    GLN  63           H        GLN  63  -4.485   2.230  -8.775
  505    HA   GLN  63           HA       GLN  63  -7.273   2.309  -8.495
  506    HB2  GLN  63           HB2      GLN  63  -5.430  -0.019  -9.030
  507    HB3  GLN  63           HB3      GLN  63  -7.182  -0.127  -9.111
  508    HG2  GLN  63           HG2      GLN  63  -7.157   1.613 -10.876
  509    HG3  GLN  63           HG3      GLN  63  -5.395   1.566 -10.843
  510   HE21  GLN  63          HE21      GLN  63  -5.324  -1.325 -10.380
  511   HE22  GLN  63          HE22      GLN  63  -5.745  -2.070 -11.881
  512    H    TRP  64           H        TRP  64  -4.757   0.976  -6.450
  513    HA   TRP  64           HA       TRP  64  -6.525  -0.567  -4.863
  514    HB2  TRP  64           HB2      TRP  64  -4.094  -1.043  -4.969
  515    HB3  TRP  64           HB3      TRP  64  -3.786   0.458  -4.102
  516    HD1  TRP  64           HD1      TRP  64  -2.978  -0.315  -1.783
  517    HE1  TRP  64           HE1      TRP  64  -3.904  -1.850   0.053
  518    HE3  TRP  64           HE3      TRP  64  -6.993  -2.287  -4.287
  519    HZ2  TRP  64           HZ2      TRP  64  -6.042  -3.645   0.403
  520    HZ3  TRP  64           HZ3      TRP  64  -8.422  -3.896  -3.119
  521    HH2  TRP  64           HH2      TRP  64  -7.956  -4.564  -0.823
  522    H    PHE  65           H        PHE  65  -5.303   2.737  -4.643
  523    HA   PHE  65           HA       PHE  65  -6.222   3.424  -2.122
  524    HB2  PHE  65           HB2      PHE  65  -5.882   4.930  -4.674
  525    HB3  PHE  65           HB3      PHE  65  -6.799   5.699  -3.386
  526    HD1  PHE  65           HD2      PHE  65  -4.426   3.563  -1.930
  527    HD2  PHE  65           HD1      PHE  65  -4.814   7.341  -3.848
  528    HE1  PHE  65           HE2      PHE  65  -2.338   4.317  -0.865
  529    HE2  PHE  65           HE1      PHE  65  -2.737   8.103  -2.780
  530    HZ   PHE  65           HZ       PHE  65  -1.495   6.592  -1.293
  531    H    GLU  66           H        GLU  66  -8.007   3.338  -5.177
  532    HA   GLU  66           HA       GLU  66 -10.525   4.050  -4.128
  533    HB2  GLU  66           HB2      GLU  66  -9.620   2.548  -6.568
  534    HB3  GLU  66           HB3      GLU  66 -11.330   2.658  -6.178
  535    HG2  GLU  66           HG2      GLU  66  -9.549   5.058  -6.477
  536    HG3  GLU  66           HG3      GLU  66 -10.475   4.356  -7.807
  537    H    HIS  67           H        HIS  67  -9.120   0.867  -4.838
  538    HA   HIS  67           HA       HIS  67 -11.487  -0.504  -4.083
  539    HB2  HIS  67           HB2      HIS  67  -8.708  -1.520  -4.675
  540    HB3  HIS  67           HB3      HIS  67 -10.088  -2.568  -4.366
  541    HD1  HIS  67           HD1      HIS  67  -8.305  -1.861  -7.120
  542    HD2  HIS  67           HD2      HIS  67 -12.302  -1.123  -6.268
  543    HE1  HIS  67           HE1      HIS  67  -9.438  -1.633  -9.352
  544    HE2  HIS  67           HE2      HIS  67 -11.849  -1.109  -8.814
  545    H    GLN  68           H        GLN  68  -8.526   0.278  -2.325
  546    HA   GLN  68           HA       GLN  68  -9.082  -1.514  -0.158
  547    HB2  GLN  68           HB2      GLN  68  -7.318  -0.354   1.054
  548    HB3  GLN  68           HB3      GLN  68  -6.792  -0.701  -0.585
  549    HG2  GLN  68           HG2      GLN  68  -7.136   1.586  -1.231
  550    HG3  GLN  68           HG3      GLN  68  -7.852   1.960   0.335
  551   HE21  GLN  68          HE21      GLN  68  -6.333   3.577   0.659
  552   HE22  GLN  68          HE22      GLN  68  -4.701   3.222   1.098
  553    H    GLU  69           H        GLU  69  -9.834   1.827  -0.902
  554    HA   GLU  69           HA       GLU  69 -10.698   2.674   1.621
  555    HB2  GLU  69           HB2      GLU  69 -10.361   4.192  -0.286
  556    HB3  GLU  69           HB3      GLU  69 -11.747   3.481  -1.101
  557    HG2  GLU  69           HG2      GLU  69 -13.203   4.281   0.701
  558    HG3  GLU  69           HG3      GLU  69 -11.806   5.014   1.488
  559    H    ARG  70           H        ARG  70 -12.249   0.751  -0.839
  560    HA   ARG  70           HA       ARG  70 -14.585   0.482   0.924
  561    HB2  ARG  70           HB2      ARG  70 -15.817  -0.195  -1.161
  562    HB3  ARG  70           HB3      ARG  70 -15.299   1.484  -1.098
  563    HG2  ARG  70           HG2      ARG  70 -13.198   0.429  -2.373
  564    HG3  ARG  70           HG3      ARG  70 -14.452  -0.703  -2.887
  565    HD2  ARG  70           HD2      ARG  70 -14.356   1.052  -4.502
  566    HD3  ARG  70           HD3      ARG  70 -15.836   1.266  -3.568
  567    HE   ARG  70           HE       ARG  70 -14.374   2.929  -2.244
  568   HH11  ARG  70          HH11      ARG  70 -14.217   2.346  -5.685
  569   HH12  ARG  70          HH12      ARG  70 -13.539   3.915  -6.053
  570   HH21  ARG  70          HH21      ARG  70 -13.485   5.004  -2.712
  571   HH22  ARG  70          HH22      ARG  70 -13.115   5.407  -4.370
  572    H    LYS  71           H        LYS  71 -12.155  -1.057   1.229
  573    HA   LYS  71           HA       LYS  71 -13.421  -3.682   1.156
  574    HB2  LYS  71           HB2      LYS  71 -11.782  -3.170  -0.890
  575    HB3  LYS  71           HB3      LYS  71 -10.572  -3.641   0.286
  576    HG2  LYS  71           HG2      LYS  71 -11.877  -5.766   0.630
  577    HG3  LYS  71           HG3      LYS  71 -12.868  -5.286  -0.744
  578    HD2  LYS  71           HD2      LYS  71  -9.895  -5.782  -0.765
  579    HD3  LYS  71           HD3      LYS  71 -11.136  -6.826  -1.458
  580    HE2  LYS  71           HE2      LYS  71 -11.775  -4.912  -2.944
  581    HE3  LYS  71           HE3      LYS  71 -10.357  -4.057  -2.341
  582    HZ1  LYS  71           HZ1      LYS  71  -9.015  -5.971  -3.132
  583    HZ2  LYS  71           HZ2      LYS  71  -9.769  -5.098  -4.369
  584    HZ3  LYS  71           HZ3      LYS  71 -10.401  -6.590  -3.887
  585    H    LEU  72           H        LEU  72 -11.081  -5.122   2.035
  586    HA   LEU  72           HA       LEU  72 -10.920  -5.892   4.204
  587    HB2  LEU  72           HB2      LEU  72  -8.783  -4.793   5.158
  588    HB3  LEU  72           HB3      LEU  72  -8.734  -5.791   3.729
  589    HG   LEU  72           HG       LEU  72  -7.284  -3.822   3.603
  590   HD11  LEU  72          HD11      LEU  72  -7.826  -4.710   1.551
  591   HD12  LEU  72          HD12      LEU  72  -8.180  -2.985   1.382
  592   HD13  LEU  72          HD13      LEU  72  -9.485  -4.139   1.656
  593   HD21  LEU  72          HD21      LEU  72  -8.564  -2.209   4.857
  594   HD22  LEU  72          HD22      LEU  72  -9.837  -2.237   3.638
  595   HD23  LEU  72          HD23      LEU  72  -8.245  -1.596   3.234
  596    H    HIS  73           H        HIS  73 -13.052  -4.721   4.813
  597    HA   HIS  73           HA       HIS  73 -14.212  -4.079   6.666
  598    HB2  HIS  73           HB2      HIS  73 -11.472  -3.806   7.906
  599    HB3  HIS  73           HB3      HIS  73 -12.980  -3.634   8.793
  600    HD1  HIS  73           HD1      HIS  73 -10.452  -6.024   8.064
  601    HD2  HIS  73           HD2      HIS  73 -14.584  -6.181   8.533
  602    HE1  HIS  73           HE1      HIS  73 -10.995  -8.438   8.523
  603    HE2  HIS  73           HE2      HIS  73 -13.497  -8.515   8.803
  604    H    GLY  74           H        GLY  74 -12.050  -2.036   5.070
  605    HA2  GLY  74           HA2      GLY  74 -12.111   0.264   4.783
  606    HA3  GLY  74           HA3      GLY  74 -13.435   0.340   5.940
  607    H    THR  75           H        THR  75 -10.590  -1.356   6.846
  608    HA   THR  75           HA       THR  75  -9.999   0.717   8.823
  609    HB   THR  75           HB       THR  75  -8.548  -1.075   9.847
  610    HG1  THR  75           HG1      THR  75  -8.597  -2.283   7.710
  611   HG21  THR  75          HG21      THR  75 -10.798  -0.616  10.690
  612   HG22  THR  75          HG22      THR  75 -10.431  -2.338  10.789
  613   HG23  THR  75          HG23      THR  75 -11.477  -1.732   9.505
  614    H    LEU  76           H        LEU  76  -8.659   2.209   7.928
  615    HA   LEU  76           HA       LEU  76  -6.027   1.381   7.109
  616    HB2  LEU  76           HB2      LEU  76  -7.892   2.884   5.269
  617    HB3  LEU  76           HB3      LEU  76  -6.163   2.778   5.032
  618    HG   LEU  76           HG       LEU  76  -7.894   0.320   5.136
  619   HD11  LEU  76          HD11      LEU  76  -8.775   1.765   3.390
  620   HD12  LEU  76          HD12      LEU  76  -7.927   0.384   2.696
  621   HD13  LEU  76          HD13      LEU  76  -7.152   1.967   2.726
  622   HD21  LEU  76          HD21      LEU  76  -5.174   0.920   3.980
  623   HD22  LEU  76          HD22      LEU  76  -6.025  -0.617   3.835
  624   HD23  LEU  76          HD23      LEU  76  -5.513  -0.037   5.421
  625    HA   PRO  77           HA       PRO  77  -4.722   5.344   8.821
  626    HB2  PRO  77           HB2      PRO  77  -3.555   5.509   6.136
  627    HB3  PRO  77           HB3      PRO  77  -2.803   5.934   7.669
  628    HG2  PRO  77           HG2      PRO  77  -2.162   3.660   6.507
  629    HG3  PRO  77           HG3      PRO  77  -2.505   3.670   8.250
  630    HD2  PRO  77           HD2      PRO  77  -4.192   2.695   5.992
  631    HD3  PRO  77           HD3      PRO  77  -4.049   2.076   7.651
  632    H    LYS  78           H        LYS  78  -5.865   7.222   8.855
  633    HA   LYS  78           HA       LYS  78  -7.463   7.921   6.513
  634    HB2  LYS  78           HB2      LYS  78  -8.139   7.937   9.093
  635    HB3  LYS  78           HB3      LYS  78  -7.479   9.561   9.004
  636    HG2  LYS  78           HG2      LYS  78  -9.642   8.546   7.179
  637    HG3  LYS  78           HG3      LYS  78  -9.953   9.387   8.693
  638    HD2  LYS  78           HD2      LYS  78  -8.685  11.325   7.833
  639    HD3  LYS  78           HD3      LYS  78  -8.479  10.476   6.300
  640    HE2  LYS  78           HE2      LYS  78 -11.123  11.229   7.547
  641    HE3  LYS  78           HE3      LYS  78 -10.329  12.096   6.231
  642    HZ1  LYS  78           HZ1      LYS  78 -11.296   9.283   6.138
  643    HZ2  LYS  78           HZ2      LYS  78 -10.483  10.081   4.881
  644    HZ3  LYS  78           HZ3      LYS  78 -12.014  10.617   5.373
  645    H    LEU  79           H        LEU  79  -5.274   8.348   5.446
  646    HA   LEU  79           HA       LEU  79  -4.265  10.978   6.144
  647    HB2  LEU  79           HB2      LEU  79  -2.223  10.468   4.992
  648    HB3  LEU  79           HB3      LEU  79  -2.586   9.222   6.152
  649    HG   LEU  79           HG       LEU  79  -1.617   8.202   4.258
  650   HD11  LEU  79          HD11      LEU  79  -3.068   6.527   3.662
  651   HD12  LEU  79          HD12      LEU  79  -4.477   7.561   3.807
  652   HD13  LEU  79          HD13      LEU  79  -3.602   7.047   5.257
  653   HD21  LEU  79          HD21      LEU  79  -1.953   9.925   2.604
  654   HD22  LEU  79          HD22      LEU  79  -3.670   9.527   2.519
  655   HD23  LEU  79          HD23      LEU  79  -2.464   8.355   1.984
  656    H    ASN  80           H        ASN  80  -6.577  10.053   4.406
  657    HA   ASN  80           HA       ASN  80  -7.776  10.879   2.663
  658    HB2  ASN  80           HB2      ASN  80  -5.649  13.025   2.457
  659    HB3  ASN  80           HB3      ASN  80  -7.261  13.075   1.752
  660   HD21  ASN  80          HD21      ASN  80  -5.373  13.465   4.599
  661   HD22  ASN  80          HD22      ASN  80  -6.636  14.069   5.617
  662    H    PHE  81           H        PHE  81  -7.661   9.341   1.144
  663    HA   PHE  81           HA       PHE  81  -5.254   8.840  -0.347
  664    HB2  PHE  81           HB2      PHE  81  -8.000   7.745  -0.944
  665    HB3  PHE  81           HB3      PHE  81  -6.446   7.047  -1.375
  666    HD1  PHE  81           HD1      PHE  81  -4.886   6.618   0.781
  667    HD2  PHE  81           HD2      PHE  81  -9.139   6.765   0.766
  668    HE1  PHE  81           HE1      PHE  81  -4.938   5.273   2.841
  669    HE2  PHE  81           HE2      PHE  81  -9.198   5.420   2.823
  670    HZ   PHE  81           HZ       PHE  81  -7.094   4.674   3.867
  671    H    GLY  82           H        GLY  82  -7.858  10.975  -0.624
  672    HA2  GLY  82           HA2      GLY  82  -8.060  11.134  -3.464
  673    HA3  GLY  82           HA3      GLY  82  -8.649  12.321  -2.311
  674    H    MET  83           H        MET  83  -5.546  12.039  -1.452
  675    HA   MET  83           HA       MET  83  -4.777  14.437  -2.844
  676    HB2  MET  83           HB2      MET  83  -2.834  14.452  -1.469
  677    HB3  MET  83           HB3      MET  83  -4.156  13.901  -0.450
  678    HG2  MET  83           HG2      MET  83  -3.412  11.629  -0.612
  679    HG3  MET  83           HG3      MET  83  -2.190  12.068  -1.802
  680    HE1  MET  83           HE1      MET  83  -1.393  10.337   0.685
  681    HE2  MET  83           HE2      MET  83   0.087  11.150   1.197
  682    HE3  MET  83           HE3      MET  83  -0.249  10.923  -0.522
  683    H    LEU  84           H        LEU  84  -4.755  11.248  -3.690
  684    HA   LEU  84           HA       LEU  84  -2.579  11.673  -5.629
  685    HB2  LEU  84           HB2      LEU  84  -2.026  10.097  -3.721
  686    HB3  LEU  84           HB3      LEU  84  -3.249   9.023  -4.366
  687    HG   LEU  84           HG       LEU  84  -0.987   9.926  -6.116
  688   HD11  LEU  84          HD11      LEU  84  -0.907   7.614  -4.183
  689   HD12  LEU  84          HD12      LEU  84   0.040   9.097  -4.054
  690   HD13  LEU  84          HD13      LEU  84   0.308   7.994  -5.404
  691   HD21  LEU  84          HD21      LEU  84  -1.393   7.780  -7.187
  692   HD22  LEU  84          HD22      LEU  84  -2.877   8.735  -7.109
  693   HD23  LEU  84          HD23      LEU  84  -2.624   7.400  -5.982
  694    H    ARG  85           H        ARG  85  -5.640  10.095  -4.872
  695    HA   ARG  85           HA       ARG  85  -6.162   8.996  -7.401
  696    HB2  ARG  85           HB2      ARG  85  -8.039   9.975  -5.243
  697    HB3  ARG  85           HB3      ARG  85  -8.583   9.136  -6.690
  698    HG2  ARG  85           HG2      ARG  85  -7.220   7.196  -6.050
  699    HG3  ARG  85           HG3      ARG  85  -6.751   8.040  -4.570
  700    HD2  ARG  85           HD2      ARG  85  -9.602   7.443  -5.342
  701    HD3  ARG  85           HD3      ARG  85  -8.630   6.406  -4.301
  702    HE   ARG  85           HE       ARG  85  -8.633   9.044  -3.297
  703   HH11  ARG  85          HH11      ARG  85 -10.833   6.363  -3.746
  704   HH12  ARG  85          HH12      ARG  85 -11.703   6.656  -2.263
  705   HH21  ARG  85          HH21      ARG  85  -9.822   9.457  -1.351
  706   HH22  ARG  85          HH22      ARG  85 -11.126   8.393  -0.914
  707    H    LYS  86           H        LYS  86  -7.631   9.711  -9.039
  708    HA   LYS  86           HA       LYS  86  -8.519  11.169 -10.528
  709    HB2  LYS  86           HB2      LYS  86  -8.296  13.191  -8.295
  710    HB3  LYS  86           HB3      LYS  86  -9.112  13.474  -9.827
  711    HG2  LYS  86           HG2      LYS  86  -9.956  11.099  -8.277
  712    HG3  LYS  86           HG3      LYS  86 -10.393  12.683  -7.634
  713    HD2  LYS  86           HD2      LYS  86 -10.917  11.959 -10.502
  714    HD3  LYS  86           HD3      LYS  86 -12.050  11.521  -9.223
  715    HE2  LYS  86           HE2      LYS  86 -12.214  13.877  -8.569
  716    HE3  LYS  86           HE3      LYS  86 -11.092  14.310  -9.856
  717    HZ1  LYS  86           HZ1      LYS  86 -12.661  13.678 -11.492
  718    HZ2  LYS  86           HZ2      LYS  86 -13.499  14.639 -10.375
  719    HZ3  LYS  86           HZ3      LYS  86 -13.687  12.956 -10.351
  720    H    MET  87           H        MET  87  -5.578  11.878  -8.922
  721    HA   MET  87           HA       MET  87  -4.632  13.715 -10.953
  722    HB2  MET  87           HB2      MET  87  -3.211  12.441  -8.610
  723    HB3  MET  87           HB3      MET  87  -2.540  13.699  -9.640
  724    HG2  MET  87           HG2      MET  87  -4.257  15.244  -8.901
  725    HG3  MET  87           HG3      MET  87  -4.985  13.984  -7.908
  726    HE1  MET  87           HE1      MET  87  -4.269  16.790  -6.697
  727    HE2  MET  87           HE2      MET  87  -3.491  16.321  -5.184
  728    HE3  MET  87           HE3      MET  87  -4.919  15.452  -5.747
  729    H    GLY  88           H        GLY  88  -4.229  10.393  -9.965
  730    HA2  GLY  88           HA2      GLY  88  -3.255   9.693 -12.594
  731    HA3  GLY  88           HA3      GLY  88  -2.090   9.451 -11.296
  Start of MODEL   16
    1    H1   PHE   1           HT1      PHE   1  15.583 -10.259   2.386
    2    H2   PHE   1           HT2      PHE   1  14.995 -11.359   3.533
    3    H3   PHE   1           HT3      PHE   1  16.590 -10.789   3.644
    4    HA   PHE   1           HA       PHE   1  15.259  -9.677   5.268
    5    HB2  PHE   1           HB2      PHE   1  17.023  -8.370   4.154
    6    HB3  PHE   1           HB3      PHE   1  15.881  -7.887   2.905
    7    HD1  PHE   1           HD2      PHE   1  16.458  -7.702   6.573
    8    HD2  PHE   1           HD1      PHE   1  14.651  -5.936   3.150
    9    HE1  PHE   1           HE2      PHE   1  15.821  -5.747   7.924
   10    HE2  PHE   1           HE1      PHE   1  14.012  -3.976   4.494
   11    HZ   PHE   1           HZ       PHE   1  14.595  -3.881   6.885
   12    H    LEU   2           H        LEU   2  13.236  -9.540   5.865
   13    HA   LEU   2           HA       LEU   2  11.150  -9.012   3.888
   14    HB2  LEU   2           HB2      LEU   2   9.580  -9.609   5.627
   15    HB3  LEU   2           HB3      LEU   2  10.825 -10.836   5.519
   16    HG   LEU   2           HG       LEU   2  11.861  -9.275   7.477
   17   HD11  LEU   2          HD11      LEU   2  10.080  -8.675   9.023
   18   HD12  LEU   2          HD12      LEU   2   8.874  -9.140   7.822
   19   HD13  LEU   2          HD13      LEU   2   9.949  -7.777   7.510
   20   HD21  LEU   2          HD21      LEU   2  11.592 -11.694   7.542
   21   HD22  LEU   2          HD22      LEU   2   9.859 -11.506   7.817
   22   HD23  LEU   2          HD23      LEU   2  11.010 -10.958   9.037
   23    H    LEU   3           H        LEU   3   9.845  -7.177   3.948
   24    HA   LEU   3           HA       LEU   3  11.050  -4.878   5.135
   25    HB2  LEU   3           HB2      LEU   3   8.633  -5.330   3.420
   26    HB3  LEU   3           HB3      LEU   3   8.936  -3.766   4.148
   27    HG   LEU   3           HG       LEU   3   9.727  -3.793   1.869
   28   HD11  LEU   3          HD11      LEU   3  10.955  -2.458   3.503
   29   HD12  LEU   3          HD12      LEU   3  12.018  -3.055   2.229
   30   HD13  LEU   3          HD13      LEU   3  12.024  -3.825   3.817
   31   HD21  LEU   3          HD21      LEU   3  11.480  -6.089   2.709
   32   HD22  LEU   3          HD22      LEU   3  11.593  -5.232   1.172
   33   HD23  LEU   3          HD23      LEU   3  10.141  -6.153   1.565
   34    HA   PRO   4           HA       PRO   4   8.718  -5.285   8.933
   35    HB2  PRO   4           HB2      PRO   4  10.254  -2.920   9.716
   36    HB3  PRO   4           HB3      PRO   4  10.269  -4.540  10.416
   37    HG2  PRO   4           HG2      PRO   4  12.354  -3.545   9.019
   38    HG3  PRO   4           HG3      PRO   4  11.944  -5.270   9.021
   39    HD2  PRO   4           HD2      PRO   4  11.362  -3.185   6.951
   40    HD3  PRO   4           HD3      PRO   4  11.894  -4.870   6.739
   41    HA   PRO   5           HA       PRO   5   5.561  -2.235   8.302
   42    HB2  PRO   5           HB2      PRO   5   4.744  -1.930  10.924
   43    HB3  PRO   5           HB3      PRO   5   4.211  -3.230   9.852
   44    HG2  PRO   5           HG2      PRO   5   6.333  -3.252  11.957
   45    HG3  PRO   5           HG3      PRO   5   5.149  -4.507  11.545
   46    HD2  PRO   5           HD2      PRO   5   7.717  -4.671  10.764
   47    HD3  PRO   5           HD3      PRO   5   6.392  -5.257   9.737
   48    H    SER   6           H        SER   6   5.969  -0.180   7.875
   49    HA   SER   6           HA       SER   6   6.508   2.012   8.103
   50    HB2  SER   6           HB2      SER   6   6.670   1.435  11.071
   51    HB3  SER   6           HB3      SER   6   6.541   3.027  10.323
   52    HG   SER   6           HG       SER   6   4.597   1.213   9.564
   53    H    THR   7           H        THR   7   8.528  -0.324   8.187
   54    HA   THR   7           HA       THR   7  10.875   1.423   8.540
   55    HB   THR   7           HB       THR   7  11.006  -1.561   8.965
   56    HG1  THR   7           HG1      THR   7   9.520  -0.180  10.465
   57   HG21  THR   7          HG21      THR   7  13.112  -0.374   8.610
   58   HG22  THR   7          HG22      THR   7  13.007  -0.957  10.274
   59   HG23  THR   7          HG23      THR   7  12.717   0.746   9.913
   60    H    ALA   8           H        ALA   8   9.443   1.274   6.247
   61    HA   ALA   8           HA       ALA   8  10.535  -0.831   4.564
   62    HB1  ALA   8           HB1      ALA   8   8.460   1.249   3.888
   63    HB2  ALA   8           HB2      ALA   8   8.111  -0.359   4.521
   64    HB3  ALA   8           HB3      ALA   8   8.876  -0.181   2.942
   65    H    CYS   9           H        CYS   9  12.585  -0.292   4.053
   66    HA   CYS   9           HA       CYS   9  12.782   1.963   2.175
   67    HB2  CYS   9           HB2      CYS   9  14.265   2.434   4.036
   68    HB3  CYS   9           HB3      CYS   9  14.958   0.819   3.946
   69    H    CYS  10           H        CYS  10  11.911   0.536   0.652
   70    HA   CYS  10           HA       CYS  10  13.015  -2.046   0.203
   71    HB2  CYS  10           HB2      CYS  10  11.149  -0.400  -1.518
   72    HB3  CYS  10           HB3      CYS  10  11.468  -2.124  -1.703
   73    H    THR  11           H        THR  11  14.872  -2.444  -0.759
   74    HA   THR  11           HA       THR  11  16.009  -0.578  -2.650
   75    HB   THR  11           HB       THR  11  17.800  -2.467  -2.764
   76    HG1  THR  11           HG1      THR  11  17.172  -3.259  -0.224
   77   HG21  THR  11          HG21      THR  11  18.831  -1.653  -0.672
   78   HG22  THR  11          HG22      THR  11  17.303  -0.888  -0.233
   79   HG23  THR  11          HG23      THR  11  18.188  -0.340  -1.657
   80    H    GLN  12           H        GLN  12  13.727  -2.872  -2.831
   81    HA   GLN  12           HA       GLN  12  14.123  -3.171  -5.694
   82    HB2  GLN  12           HB2      GLN  12  13.118  -5.547  -5.434
   83    HB3  GLN  12           HB3      GLN  12  14.830  -5.306  -5.146
   84    HG2  GLN  12           HG2      GLN  12  13.855  -6.810  -3.509
   85    HG3  GLN  12           HG3      GLN  12  14.465  -5.347  -2.749
   86   HE21  GLN  12          HE21      GLN  12  13.098  -4.050  -1.658
   87   HE22  GLN  12          HE22      GLN  12  11.425  -4.377  -1.413
   88    H    LEU  13           H        LEU  13  12.064  -3.807  -6.799
   89    HA   LEU  13           HA       LEU  13   9.686  -2.972  -5.297
   90    HB2  LEU  13           HB2      LEU  13  10.581  -1.799  -7.934
   91    HB3  LEU  13           HB3      LEU  13   9.027  -1.498  -7.179
   92    HG   LEU  13           HG       LEU  13  11.625  -0.819  -5.812
   93   HD11  LEU  13          HD11      LEU  13  11.553   0.381  -7.935
   94   HD12  LEU  13          HD12      LEU  13  11.333   1.471  -6.566
   95   HD13  LEU  13          HD13      LEU  13   9.948   0.987  -7.537
   96   HD21  LEU  13          HD21      LEU  13   8.790   0.137  -5.429
   97   HD22  LEU  13          HD22      LEU  13  10.198   0.705  -4.533
   98   HD23  LEU  13          HD23      LEU  13   9.670  -0.970  -4.376
   99    H    TYR  14           H        TYR  14   7.863  -4.044  -5.853
  100    HA   TYR  14           HA       TYR  14   8.133  -6.466  -7.296
  101    HB2  TYR  14           HB2      TYR  14   6.537  -5.892  -5.364
  102    HB3  TYR  14           HB3      TYR  14   5.509  -5.163  -6.592
  103    HD1  TYR  14           HD2      TYR  14   7.012  -8.331  -5.437
  104    HD2  TYR  14           HD1      TYR  14   4.144  -6.525  -8.015
  105    HE1  TYR  14           HE2      TYR  14   6.022 -10.537  -5.874
  106    HE2  TYR  14           HE1      TYR  14   3.150  -8.732  -8.454
  107    HH   TYR  14           HH       TYR  14   3.734 -11.065  -8.374
  108    H    ARG  15           H        ARG  15   6.496  -3.421  -8.014
  109    HA   ARG  15           HA       ARG  15   6.149  -2.309  -9.958
  110    HB2  ARG  15           HB2      ARG  15   7.607  -4.610 -11.267
  111    HB3  ARG  15           HB3      ARG  15   7.141  -3.117 -12.070
  112    HG2  ARG  15           HG2      ARG  15   8.598  -1.842 -10.620
  113    HG3  ARG  15           HG3      ARG  15   9.018  -3.302  -9.722
  114    HD2  ARG  15           HD2      ARG  15   9.589  -2.775 -12.638
  115    HD3  ARG  15           HD3      ARG  15  10.766  -2.734 -11.325
  116    HE   ARG  15           HE       ARG  15   9.709  -5.229 -11.160
  117   HH11  ARG  15          HH11      ARG  15  11.227  -3.392 -13.725
  118   HH12  ARG  15          HH12      ARG  15  11.832  -4.803 -14.548
  119   HH21  ARG  15          HH21      ARG  15  10.478  -7.074 -12.232
  120   HH22  ARG  15          HH22      ARG  15  11.391  -6.905 -13.708
  121    H    LYS  16           H        LYS  16   5.506  -5.792 -10.212
  122    HA   LYS  16           HA       LYS  16   3.411  -5.476 -12.118
  123    HB2  LYS  16           HB2      LYS  16   4.294  -7.751 -10.360
  124    HB3  LYS  16           HB3      LYS  16   2.845  -7.870 -11.350
  125    HG2  LYS  16           HG2      LYS  16   5.585  -7.236 -12.418
  126    HG3  LYS  16           HG3      LYS  16   4.860  -8.847 -12.402
  127    HD2  LYS  16           HD2      LYS  16   3.124  -8.176 -13.882
  128    HD3  LYS  16           HD3      LYS  16   3.546  -6.472 -13.712
  129    HE2  LYS  16           HE2      LYS  16   5.254  -8.596 -14.999
  130    HE3  LYS  16           HE3      LYS  16   4.306  -7.377 -15.850
  131    HZ1  LYS  16           HZ1      LYS  16   5.659  -5.699 -14.554
  132    HZ2  LYS  16           HZ2      LYS  16   6.475  -6.539 -15.777
  133    HZ3  LYS  16           HZ3      LYS  16   6.700  -6.983 -14.157
  134    HA   PRO  17           HA       PRO  17  -0.003  -4.337  -9.560
  135    HB2  PRO  17           HB2      PRO  17  -2.012  -5.688 -10.851
  136    HB3  PRO  17           HB3      PRO  17  -1.328  -4.161 -11.417
  137    HG2  PRO  17           HG2      PRO  17  -0.728  -6.950 -12.310
  138    HG3  PRO  17           HG3      PRO  17  -0.921  -5.480 -13.281
  139    HD2  PRO  17           HD2      PRO  17   1.505  -6.484 -12.692
  140    HD3  PRO  17           HD3      PRO  17   1.219  -4.736 -12.811
  141    H    LEU  18           H        LEU  18  -1.107  -5.116  -7.813
  142    HA   LEU  18           HA       LEU  18  -0.458  -7.847  -7.051
  143    HB2  LEU  18           HB2      LEU  18  -1.828  -5.691  -5.441
  144    HB3  LEU  18           HB3      LEU  18  -1.188  -7.205  -4.828
  145    HG   LEU  18           HG       LEU  18   0.397  -4.886  -5.927
  146   HD11  LEU  18          HD11      LEU  18   0.248  -6.121  -3.178
  147   HD12  LEU  18          HD12      LEU  18  -0.397  -4.551  -3.654
  148   HD13  LEU  18          HD13      LEU  18   1.345  -4.828  -3.660
  149   HD21  LEU  18          HD21      LEU  18   1.389  -7.003  -6.635
  150   HD22  LEU  18          HD22      LEU  18   1.371  -7.573  -4.966
  151   HD23  LEU  18          HD23      LEU  18   2.386  -6.204  -5.420
  152    H    SER  19           H        SER  19  -1.999  -9.381  -6.403
  153    HA   SER  19           HA       SER  19  -4.406  -9.389  -7.900
  154    HB2  SER  19           HB2      SER  19  -3.672 -11.195  -5.586
  155    HB3  SER  19           HB3      SER  19  -4.807 -11.542  -6.890
  156    HG   SER  19           HG       SER  19  -3.100 -11.593  -8.344
  157    H    ASP  20           H        ASP  20  -6.446  -8.865  -7.349
  158    HA   ASP  20           HA       ASP  20  -6.901  -7.046  -5.259
  159    HB2  ASP  20           HB2      ASP  20  -8.215  -7.354  -7.432
  160    HB3  ASP  20           HB3      ASP  20  -9.057  -8.662  -6.608
  161    H    LYS  21           H        LYS  21  -7.210 -10.515  -5.400
  162    HA   LYS  21           HA       LYS  21  -8.784 -10.878  -3.083
  163    HB2  LYS  21           HB2      LYS  21  -6.757 -12.741  -4.323
  164    HB3  LYS  21           HB3      LYS  21  -7.923 -13.193  -3.087
  165    HG2  LYS  21           HG2      LYS  21  -9.735 -12.530  -4.687
  166    HG3  LYS  21           HG3      LYS  21  -8.479 -12.356  -5.920
  167    HD2  LYS  21           HD2      LYS  21  -7.813 -14.707  -5.507
  168    HD3  LYS  21           HD3      LYS  21  -9.161 -14.858  -4.379
  169    HE2  LYS  21           HE2      LYS  21  -9.887 -15.770  -6.447
  170    HE3  LYS  21           HE3      LYS  21 -10.682 -14.206  -6.269
  171    HZ1  LYS  21           HZ1      LYS  21  -9.847 -14.483  -8.504
  172    HZ2  LYS  21           HZ2      LYS  21  -8.280 -14.763  -7.928
  173    HZ3  LYS  21           HZ3      LYS  21  -8.991 -13.240  -7.729
  174    H    LEU  22           H        LEU  22  -5.237 -10.871  -3.550
  175    HA   LEU  22           HA       LEU  22  -4.768 -11.183  -0.751
  176    HB2  LEU  22           HB2      LEU  22  -2.429 -10.783  -1.217
  177    HB3  LEU  22           HB3      LEU  22  -3.095 -11.918  -2.367
  178    HG   LEU  22           HG       LEU  22  -3.305  -9.814  -3.912
  179   HD11  LEU  22          HD11      LEU  22  -1.518  -8.181  -3.547
  180   HD12  LEU  22          HD12      LEU  22  -1.148  -8.937  -1.997
  181   HD13  LEU  22          HD13      LEU  22  -2.705  -8.148  -2.243
  182   HD21  LEU  22          HD21      LEU  22  -0.657 -11.103  -3.279
  183   HD22  LEU  22          HD22      LEU  22  -1.060 -10.245  -4.767
  184   HD23  LEU  22          HD23      LEU  22  -1.895 -11.745  -4.358
  185    H    LEU  23           H        LEU  23  -5.319  -8.520  -2.873
  186    HA   LEU  23           HA       LEU  23  -4.353  -6.439  -1.262
  187    HB2  LEU  23           HB2      LEU  23  -6.518  -6.538  -3.346
  188    HB3  LEU  23           HB3      LEU  23  -6.111  -5.057  -2.507
  189    HG   LEU  23           HG       LEU  23  -4.244  -6.668  -4.247
  190   HD11  LEU  23          HD11      LEU  23  -4.363  -4.729  -5.745
  191   HD12  LEU  23          HD12      LEU  23  -5.573  -3.995  -4.689
  192   HD13  LEU  23          HD13      LEU  23  -5.938  -5.498  -5.537
  193   HD21  LEU  23          HD21      LEU  23  -2.691  -4.804  -3.949
  194   HD22  LEU  23          HD22      LEU  23  -3.061  -5.585  -2.411
  195   HD23  LEU  23          HD23      LEU  23  -3.815  -4.045  -2.821
  196    H    ARG  24           H        ARG  24  -7.597  -7.937  -1.410
  197    HA   ARG  24           HA       ARG  24  -8.780  -6.239   0.504
  198    HB2  ARG  24           HB2      ARG  24 -10.587  -7.773   0.587
  199    HB3  ARG  24           HB3      ARG  24  -9.977  -7.830  -1.059
  200    HG2  ARG  24           HG2      ARG  24  -8.700  -9.876  -0.452
  201    HG3  ARG  24           HG3      ARG  24  -9.497  -9.843   1.123
  202    HD2  ARG  24           HD2      ARG  24 -10.837 -10.104  -1.568
  203    HD3  ARG  24           HD3      ARG  24 -10.638 -11.378  -0.365
  204    HE   ARG  24           HE       ARG  24 -12.011  -9.209   0.803
  205   HH11  ARG  24          HH11      ARG  24 -12.471 -11.815  -1.488
  206   HH12  ARG  24          HH12      ARG  24 -14.198 -11.845  -1.312
  207   HH21  ARG  24          HH21      ARG  24 -14.284  -9.256   1.054
  208   HH22  ARG  24          HH22      ARG  24 -15.232 -10.395   0.138
  209    H    LYS  25           H        LYS  25  -6.397  -8.566   0.879
  210    HA   LYS  25           HA       LYS  25  -6.987  -9.023   3.705
  211    HB2  LYS  25           HB2      LYS  25  -5.096 -10.389   1.808
  212    HB3  LYS  25           HB3      LYS  25  -5.105 -10.693   3.540
  213    HG2  LYS  25           HG2      LYS  25  -7.432 -11.429   3.400
  214    HG3  LYS  25           HG3      LYS  25  -7.414 -11.131   1.661
  215    HD2  LYS  25           HD2      LYS  25  -5.619 -13.070   3.111
  216    HD3  LYS  25           HD3      LYS  25  -7.078 -13.505   2.216
  217    HE2  LYS  25           HE2      LYS  25  -6.078 -12.535   0.188
  218    HE3  LYS  25           HE3      LYS  25  -4.607 -12.200   1.101
  219    HZ1  LYS  25           HZ1      LYS  25  -4.292 -14.540   1.456
  220    HZ2  LYS  25           HZ2      LYS  25  -4.478 -14.265  -0.205
  221    HZ3  LYS  25           HZ3      LYS  25  -5.764 -14.906   0.698
  222    H    VAL  26           H        VAL  26  -5.583  -6.705   2.035
  223    HA   VAL  26           HA       VAL  26  -3.165  -6.359   3.540
  224    HB   VAL  26           HB       VAL  26  -4.702  -4.680   1.573
  225   HG11  VAL  26          HG11      VAL  26  -2.995  -2.930   1.805
  226   HG12  VAL  26          HG12      VAL  26  -2.349  -3.771   3.215
  227   HG13  VAL  26          HG13      VAL  26  -3.984  -3.111   3.253
  228   HG21  VAL  26          HG21      VAL  26  -1.895  -5.766   1.640
  229   HG22  VAL  26          HG22      VAL  26  -2.584  -4.794   0.337
  230   HG23  VAL  26          HG23      VAL  26  -3.241  -6.395   0.687
  231    H    ILE  27           H        ILE  27  -2.937  -5.266   5.396
  232    HA   ILE  27           HA       ILE  27  -5.425  -4.467   6.707
  233    HB   ILE  27           HB       ILE  27  -4.045  -4.504   8.811
  234   HG12  ILE  27          HG12      ILE  27  -2.013  -5.749   6.944
  235   HG13  ILE  27          HG13      ILE  27  -1.822  -4.260   7.861
  236   HG21  ILE  27          HG21      ILE  27  -5.529  -6.321   8.204
  237   HG22  ILE  27          HG22      ILE  27  -4.071  -6.947   8.974
  238   HG23  ILE  27          HG23      ILE  27  -4.259  -7.056   7.223
  239   HD11  ILE  27          HD11      ILE  27  -1.892  -5.531   9.941
  240   HD12  ILE  27          HD12      ILE  27  -0.598  -6.089   8.878
  241   HD13  ILE  27          HD13      ILE  27  -2.087  -7.026   9.021
  242    H    GLN  28           H        GLN  28  -2.263  -3.212   5.805
  243    HA   GLN  28           HA       GLN  28  -3.245  -0.517   6.283
  244    HB2  GLN  28           HB2      GLN  28  -0.844  -1.697   7.658
  245    HB3  GLN  28           HB3      GLN  28  -0.974   0.033   7.375
  246    HG2  GLN  28           HG2      GLN  28  -2.914  -1.646   8.952
  247    HG3  GLN  28           HG3      GLN  28  -1.689  -0.571   9.624
  248   HE21  GLN  28          HE21      GLN  28  -4.611  -0.543   9.905
  249   HE22  GLN  28          HE22      GLN  28  -5.118   1.020   9.367
  250    H    VAL  29           H        VAL  29  -1.993   1.115   5.274
  251    HA   VAL  29           HA       VAL  29  -0.216   0.147   3.129
  252    HB   VAL  29           HB       VAL  29  -1.955   2.630   3.142
  253   HG11  VAL  29          HG11      VAL  29  -1.269   2.912   0.819
  254   HG12  VAL  29          HG12      VAL  29  -0.223   1.496   0.945
  255   HG13  VAL  29          HG13      VAL  29   0.129   2.942   1.895
  256   HG21  VAL  29          HG21      VAL  29  -3.296   0.622   2.893
  257   HG22  VAL  29          HG22      VAL  29  -2.244   0.057   1.596
  258   HG23  VAL  29          HG23      VAL  29  -3.228   1.502   1.365
  259    H    GLU  30           H        GLU  30   1.810   1.070   3.035
  260    HA   GLU  30           HA       GLU  30   2.318   3.217   4.972
  261    HB2  GLU  30           HB2      GLU  30   4.491   2.149   5.482
  262    HB3  GLU  30           HB3      GLU  30   3.108   1.174   5.955
  263    HG2  GLU  30           HG2      GLU  30   3.457   0.040   3.635
  264    HG3  GLU  30           HG3      GLU  30   5.079   0.731   3.766
  265    H    LEU  31           H        LEU  31   3.590   4.835   4.353
  266    HA   LEU  31           HA       LEU  31   4.447   4.861   1.564
  267    HB2  LEU  31           HB2      LEU  31   3.045   6.706   2.237
  268    HB3  LEU  31           HB3      LEU  31   4.089   7.060   3.601
  269    HG   LEU  31           HG       LEU  31   5.869   7.761   2.084
  270   HD11  LEU  31          HD11      LEU  31   3.891   7.165  -0.113
  271   HD12  LEU  31          HD12      LEU  31   5.395   6.296   0.206
  272   HD13  LEU  31          HD13      LEU  31   5.442   7.980  -0.317
  273   HD21  LEU  31          HD21      LEU  31   3.222   9.065   1.469
  274   HD22  LEU  31          HD22      LEU  31   4.814   9.784   1.222
  275   HD23  LEU  31          HD23      LEU  31   4.257   9.415   2.854
  276    H    GLN  32           H        GLN  32   6.458   4.262   1.194
  277    HA   GLN  32           HA       GLN  32   8.556   4.392   3.123
  278    HB2  GLN  32           HB2      GLN  32   8.713   2.719   1.442
  279    HB3  GLN  32           HB3      GLN  32   8.508   3.897   0.154
  280    HG2  GLN  32           HG2      GLN  32  10.673   4.829   0.586
  281    HG3  GLN  32           HG3      GLN  32  10.871   3.805   2.007
  282   HE21  GLN  32          HE21      GLN  32  12.414   4.078  -0.501
  283   HE22  GLN  32          HE22      GLN  32  12.523   2.475  -1.130
  284    H    GLU  33           H        GLU  33   9.133   6.323   3.850
  285    HA   GLU  33           HA       GLU  33   8.895   8.711   2.344
  286    HB2  GLU  33           HB2      GLU  33  10.413   8.204   4.906
  287    HB3  GLU  33           HB3      GLU  33   9.979   9.781   4.262
  288    HG2  GLU  33           HG2      GLU  33   7.630   9.286   4.535
  289    HG3  GLU  33           HG3      GLU  33   8.014   7.660   5.098
  290    H    ALA  34           H        ALA  34  10.283   9.711   1.069
  291    HA   ALA  34           HA       ALA  34  12.716   8.370   0.310
  292    HB1  ALA  34           HB1      ALA  34  11.318   9.366  -1.394
  293    HB2  ALA  34           HB2      ALA  34  12.888  10.168  -1.373
  294    HB3  ALA  34           HB3      ALA  34  11.486  10.954  -0.645
  295    H    ASP  35           H        ASP  35  12.514   9.650   3.017
  296    HA   ASP  35           HA       ASP  35  15.066  10.970   2.945
  297    HB2  ASP  35           HB2      ASP  35  13.620  12.857   2.434
  298    HB3  ASP  35           HB3      ASP  35  12.589  12.475   3.810
  299    H    GLY  36           H        GLY  36  12.220  10.659   5.063
  300    HA2  GLY  36           HA2      GLY  36  13.651  10.659   7.466
  301    HA3  GLY  36           HA3      GLY  36  12.020  10.046   7.259
  302    H    ASP  37           H        ASP  37  12.627   7.969   5.442
  303    HA   ASP  37           HA       ASP  37  14.035   6.134   7.262
  304    HB2  ASP  37           HB2      ASP  37  11.600   5.710   6.856
  305    HB3  ASP  37           HB3      ASP  37  11.967   5.471   5.153
  306    H    CYS  38           H        CYS  38  13.284   6.502   3.814
  307    HA   CYS  38           HA       CYS  38  15.774   5.060   3.191
  308    HB2  CYS  38           HB2      CYS  38  13.389   4.137   2.664
  309    HB3  CYS  38           HB3      CYS  38  13.414   5.315   1.358
  310    H    HIS  39           H        HIS  39  16.451   5.606   0.775
  311    HA   HIS  39           HA       HIS  39  16.666   8.501   0.574
  312    HB2  HIS  39           HB2      HIS  39  17.902   6.244  -1.000
  313    HB3  HIS  39           HB3      HIS  39  18.074   7.927  -1.479
  314    HD1  HIS  39           HD1      HIS  39  19.482   9.469   0.111
  315    HD2  HIS  39           HD2      HIS  39  19.523   5.425   1.074
  316    HE1  HIS  39           HE1      HIS  39  21.421   9.165   1.683
  317    HE2  HIS  39           HE2      HIS  39  21.556   6.674   2.072
  318    H    LEU  40           H        LEU  40  15.005   5.867  -0.971
  319    HA   LEU  40           HA       LEU  40  13.846   7.749  -2.911
  320    HB2  LEU  40           HB2      LEU  40  13.318   5.851  -4.315
  321    HB3  LEU  40           HB3      LEU  40  15.034   5.886  -3.960
  322    HG   LEU  40           HG       LEU  40  13.393   4.220  -2.157
  323   HD11  LEU  40          HD11      LEU  40  13.903   3.424  -5.019
  324   HD12  LEU  40          HD12      LEU  40  12.328   3.792  -4.311
  325   HD13  LEU  40          HD13      LEU  40  13.241   2.390  -3.751
  326   HD21  LEU  40          HD21      LEU  40  15.311   2.711  -2.424
  327   HD22  LEU  40          HD22      LEU  40  15.818   4.332  -1.954
  328   HD23  LEU  40          HD23      LEU  40  15.997   3.803  -3.626
  329    H    GLN  41           H        GLN  41  11.573   7.486  -3.400
  330    HA   GLN  41           HA       GLN  41  10.067   6.704  -1.012
  331    HB2  GLN  41           HB2      GLN  41   9.743   8.998  -1.862
  332    HB3  GLN  41           HB3      GLN  41   9.200   8.343  -3.401
  333    HG2  GLN  41           HG2      GLN  41   7.318   7.265  -2.260
  334    HG3  GLN  41           HG3      GLN  41   7.853   7.977  -0.737
  335   HE21  GLN  41          HE21      GLN  41   7.618  10.180  -0.397
  336   HE22  GLN  41          HE22      GLN  41   6.577  11.150  -1.378
  337    H    ALA  42           H        ALA  42   8.409   5.262  -1.075
  338    HA   ALA  42           HA       ALA  42   7.577   4.084  -3.596
  339    HB1  ALA  42           HB1      ALA  42   7.998   1.794  -2.844
  340    HB2  ALA  42           HB2      ALA  42   8.769   2.413  -1.384
  341    HB3  ALA  42           HB3      ALA  42   9.501   2.711  -2.961
  342    H    PHE  43           H        PHE  43   5.557   3.103  -3.456
  343    HA   PHE  43           HA       PHE  43   4.136   3.552  -0.937
  344    HB2  PHE  43           HB2      PHE  43   3.253   3.262  -3.786
  345    HB3  PHE  43           HB3      PHE  43   2.124   2.925  -2.477
  346    HD1  PHE  43           HD2      PHE  43   1.466   4.689  -0.924
  347    HD2  PHE  43           HD1      PHE  43   3.906   5.496  -4.312
  348    HE1  PHE  43           HE2      PHE  43   0.977   7.089  -0.698
  349    HE2  PHE  43           HE1      PHE  43   3.421   7.899  -4.095
  350    HZ   PHE  43           HZ       PHE  43   1.955   8.698  -2.286
  351    H    VAL  44           H        VAL  44   4.190   1.889   0.375
  352    HA   VAL  44           HA       VAL  44   4.505  -0.779  -0.798
  353    HB   VAL  44           HB       VAL  44   5.316   0.228   1.929
  354   HG11  VAL  44          HG11      VAL  44   5.829  -2.432   0.601
  355   HG12  VAL  44          HG12      VAL  44   4.778  -2.145   1.987
  356   HG13  VAL  44          HG13      VAL  44   6.516  -1.900   2.135
  357   HG21  VAL  44          HG21      VAL  44   6.922  -0.374  -0.550
  358   HG22  VAL  44          HG22      VAL  44   7.609   0.005   1.033
  359   HG23  VAL  44          HG23      VAL  44   6.650   1.212   0.171
  360    H    LEU  45           H        LEU  45   3.065  -2.329  -0.394
  361    HA   LEU  45           HA       LEU  45   0.774  -1.589   1.286
  362    HB2  LEU  45           HB2      LEU  45   0.955  -3.604  -0.956
  363    HB3  LEU  45           HB3      LEU  45  -0.492  -3.247  -0.028
  364    HG   LEU  45           HG       LEU  45   0.963  -1.377  -1.895
  365   HD11  LEU  45          HD11      LEU  45  -1.810  -2.547  -2.003
  366   HD12  LEU  45          HD12      LEU  45  -0.438  -3.039  -2.997
  367   HD13  LEU  45          HD13      LEU  45  -1.106  -1.415  -3.161
  368   HD21  LEU  45          HD21      LEU  45  -0.769   0.252  -1.360
  369   HD22  LEU  45          HD22      LEU  45   0.180  -0.168   0.067
  370   HD23  LEU  45          HD23      LEU  45  -1.434  -0.847  -0.149
  371    H    HIS  46           H        HIS  46   0.219  -2.773   3.002
  372    HA   HIS  46           HA       HIS  46   2.052  -4.994   3.622
  373    HB2  HIS  46           HB2      HIS  46   2.049  -2.678   4.914
  374    HB3  HIS  46           HB3      HIS  46   0.711  -3.427   5.780
  375    HD1  HIS  46           HD1      HIS  46   4.315  -3.190   5.725
  376    HD2  HIS  46           HD2      HIS  46   1.515  -5.986   7.024
  377    HE1  HIS  46           HE1      HIS  46   5.546  -4.701   7.326
  378    HE2  HIS  46           HE2      HIS  46   3.888  -6.506   7.905
  379    H    LEU  47           H        LEU  47   0.967  -6.824   3.334
  380    HA   LEU  47           HA       LEU  47  -1.807  -7.122   4.051
  381    HB2  LEU  47           HB2      LEU  47   0.294  -9.152   3.280
  382    HB3  LEU  47           HB3      LEU  47  -1.378  -9.552   3.603
  383    HG   LEU  47           HG       LEU  47  -1.961  -7.955   1.688
  384   HD11  LEU  47          HD11      LEU  47   0.974  -8.348   1.111
  385   HD12  LEU  47          HD12      LEU  47   0.174  -6.823   1.486
  386   HD13  LEU  47          HD13      LEU  47  -0.211  -7.675  -0.009
  387   HD21  LEU  47          HD21      LEU  47  -1.556  -9.706   0.020
  388   HD22  LEU  47          HD22      LEU  47  -2.174 -10.364   1.536
  389   HD23  LEU  47          HD23      LEU  47  -0.460 -10.511   1.144
  390    H    ALA  48           H        ALA  48  -2.383  -8.950   5.578
  391    HA   ALA  48           HA       ALA  48  -1.529  -8.427   8.161
  392    HB1  ALA  48           HB1      ALA  48  -2.721 -10.422   8.803
  393    HB2  ALA  48           HB2      ALA  48  -2.672 -11.019   7.139
  394    HB3  ALA  48           HB3      ALA  48  -3.618  -9.577   7.540
  395    H    GLN  49           H        GLN  49  -0.028 -10.355   5.762
  396    HA   GLN  49           HA       GLN  49   1.888 -11.408   7.704
  397    HB2  GLN  49           HB2      GLN  49   1.775 -13.586   6.346
  398    HB3  GLN  49           HB3      GLN  49   0.464 -13.252   7.472
  399    HG2  GLN  49           HG2      GLN  49   0.131 -12.292   4.705
  400    HG3  GLN  49           HG3      GLN  49   0.057 -14.034   4.960
  401   HE21  GLN  49          HE21      GLN  49  -1.987 -12.070   4.148
  402   HE22  GLN  49          HE22      GLN  49  -3.282 -12.276   5.277
  403    H    ARG  50           H        ARG  50   1.602  -9.510   5.108
  404    HA   ARG  50           HA       ARG  50   4.119 -10.405   3.917
  405    HB2  ARG  50           HB2      ARG  50   1.628  -9.889   2.278
  406    HB3  ARG  50           HB3      ARG  50   3.230 -10.200   1.626
  407    HG2  ARG  50           HG2      ARG  50   3.183 -12.435   2.673
  408    HG3  ARG  50           HG3      ARG  50   1.536 -12.114   3.219
  409    HD2  ARG  50           HD2      ARG  50   1.459 -13.421   1.198
  410    HD3  ARG  50           HD3      ARG  50   0.860 -11.798   0.858
  411    HE   ARG  50           HE       ARG  50   3.653 -12.019   0.312
  412   HH11  ARG  50          HH11      ARG  50   0.489 -12.833  -0.978
  413   HH12  ARG  50          HH12      ARG  50   1.027 -12.819  -2.636
  414   HH21  ARG  50          HH21      ARG  50   4.350 -12.014  -1.875
  415   HH22  ARG  50          HH22      ARG  50   3.206 -12.357  -3.137
  416    H    SER  51           H        SER  51   5.177  -8.819   2.619
  417    HA   SER  51           HA       SER  51   4.090  -6.093   2.745
  418    HB2  SER  51           HB2      SER  51   7.002  -6.766   3.242
  419    HB3  SER  51           HB3      SER  51   6.235  -5.188   3.387
  420    HG   SER  51           HG       SER  51   6.564  -6.228   5.418
  421    H    ILE  52           H        ILE  52   4.072  -5.189   0.766
  422    HA   ILE  52           HA       ILE  52   5.930  -6.269  -1.255
  423    HB   ILE  52           HB       ILE  52   3.039  -5.513  -1.719
  424   HG12  ILE  52          HG12      ILE  52   4.393  -8.223  -1.785
  425   HG13  ILE  52          HG13      ILE  52   3.331  -7.651  -0.502
  426   HG21  ILE  52          HG21      ILE  52   3.408  -6.378  -3.989
  427   HG22  ILE  52          HG22      ILE  52   5.113  -6.623  -3.609
  428   HG23  ILE  52          HG23      ILE  52   4.442  -4.992  -3.638
  429   HD11  ILE  52          HD11      ILE  52   2.525  -8.069  -3.371
  430   HD12  ILE  52          HD12      ILE  52   1.470  -7.570  -2.048
  431   HD13  ILE  52          HD13      ILE  52   2.199  -9.176  -2.037
  432    H    CYS  53           H        CYS  53   6.984  -4.781  -2.485
  433    HA   CYS  53           HA       CYS  53   6.523  -1.988  -1.710
  434    HB2  CYS  53           HB2      CYS  53   8.942  -3.208  -3.052
  435    HB3  CYS  53           HB3      CYS  53   8.825  -1.598  -2.353
  436    H    ILE  54           H        ILE  54   5.638  -0.648  -3.104
  437    HA   ILE  54           HA       ILE  54   5.654  -1.369  -5.956
  438    HB   ILE  54           HB       ILE  54   3.488  -0.246  -4.213
  439   HG12  ILE  54          HG12      ILE  54   3.575  -2.472  -6.258
  440   HG13  ILE  54          HG13      ILE  54   3.572  -2.665  -4.508
  441   HG21  ILE  54          HG21      ILE  54   3.636   1.286  -6.083
  442   HG22  ILE  54          HG22      ILE  54   2.173   0.308  -6.192
  443   HG23  ILE  54          HG23      ILE  54   3.561  -0.065  -7.215
  444   HD11  ILE  54          HD11      ILE  54   1.332  -1.722  -4.400
  445   HD12  ILE  54          HD12      ILE  54   1.385  -3.120  -5.471
  446   HD13  ILE  54          HD13      ILE  54   1.336  -1.494  -6.148
  447    H    HIS  55           H        HIS  55   6.366   0.100  -7.358
  448    HA   HIS  55           HA       HIS  55   7.479   2.587  -6.523
  449    HB2  HIS  55           HB2      HIS  55   8.392   1.331  -8.436
  450    HB3  HIS  55           HB3      HIS  55   6.872   1.523  -9.302
  451    HD1  HIS  55           HD1      HIS  55   6.410   3.785 -10.402
  452    HD2  HIS  55           HD2      HIS  55  10.025   3.651  -8.360
  453    HE1  HIS  55           HE1      HIS  55   7.624   5.869 -11.073
  454    HE2  HIS  55           HE2      HIS  55   9.865   5.728  -9.901
  455    HA   PRO  56           HA       PRO  56   3.797   5.183  -6.601
  456    HB2  PRO  56           HB2      PRO  56   5.781   7.196  -7.551
  457    HB3  PRO  56           HB3      PRO  56   4.599   7.311  -6.244
  458    HG2  PRO  56           HG2      PRO  56   7.174   6.950  -5.696
  459    HG3  PRO  56           HG3      PRO  56   5.917   6.118  -4.759
  460    HD2  PRO  56           HD2      PRO  56   7.722   5.044  -6.881
  461    HD3  PRO  56           HD3      PRO  56   7.119   4.261  -5.407
  462    H    GLN  57           H        GLN  57   2.561   6.417  -8.170
  463    HA   GLN  57           HA       GLN  57   1.610   6.681 -10.199
  464    HB2  GLN  57           HB2      GLN  57   4.494   6.774 -10.946
  465    HB3  GLN  57           HB3      GLN  57   3.289   6.680 -12.225
  466    HG2  GLN  57           HG2      GLN  57   3.804   8.969 -11.872
  467    HG3  GLN  57           HG3      GLN  57   2.184   8.678 -11.241
  468   HE21  GLN  57          HE21      GLN  57   2.077  10.247  -9.757
  469   HE22  GLN  57          HE22      GLN  57   3.114  10.357  -8.367
  470    H    ASN  58           H        ASN  58   2.056   4.050  -9.030
  471    HA   ASN  58           HA       ASN  58   1.829   2.372 -11.428
  472    HB2  ASN  58           HB2      ASN  58   3.388   1.625  -9.626
  473    HB3  ASN  58           HB3      ASN  58   2.025   1.535  -8.519
  474   HD21  ASN  58          HD21      ASN  58   3.932  -0.479  -9.578
  475   HD22  ASN  58          HD22      ASN  58   2.950  -1.754 -10.203
  476    HA   PRO  59           HA       PRO  59  -2.596   2.757 -11.243
  477    HB2  PRO  59           HB2      PRO  59  -2.341   0.024 -12.421
  478    HB3  PRO  59           HB3      PRO  59  -3.335   1.388 -12.948
  479    HG2  PRO  59           HG2      PRO  59  -1.088   0.781 -14.232
  480    HG3  PRO  59           HG3      PRO  59  -1.547   2.472 -13.951
  481    HD2  PRO  59           HD2      PRO  59   0.537   0.824 -12.608
  482    HD3  PRO  59           HD3      PRO  59   0.520   2.565 -12.958
  483    H    SER  60           H        SER  60  -0.957  -0.240 -10.214
  484    HA   SER  60           HA       SER  60  -3.194  -1.371  -8.917
  485    HB2  SER  60           HB2      SER  60  -1.129  -2.633  -9.571
  486    HB3  SER  60           HB3      SER  60  -0.285  -1.844  -8.240
  487    HG   SER  60           HG       SER  60  -2.173  -2.758  -6.957
  488    H    LEU  61           H        LEU  61  -0.852   0.997  -7.892
  489    HA   LEU  61           HA       LEU  61  -1.525   0.776  -5.098
  490    HB2  LEU  61           HB2      LEU  61   0.706   1.550  -6.199
  491    HB3  LEU  61           HB3      LEU  61  -0.091   3.102  -6.341
  492    HG   LEU  61           HG       LEU  61   1.395   2.923  -4.366
  493   HD11  LEU  61          HD11      LEU  61  -0.447   4.509  -4.337
  494   HD12  LEU  61          HD12      LEU  61  -0.164   3.835  -2.732
  495   HD13  LEU  61          HD13      LEU  61  -1.521   3.263  -3.699
  496   HD21  LEU  61          HD21      LEU  61   0.694   1.567  -2.450
  497   HD22  LEU  61          HD22      LEU  61   1.075   0.572  -3.856
  498   HD23  LEU  61          HD23      LEU  61  -0.608   0.875  -3.424
  499    H    SER  62           H        SER  62  -2.102   3.147  -7.698
  500    HA   SER  62           HA       SER  62  -3.685   4.897  -6.166
  501    HB2  SER  62           HB2      SER  62  -3.802   4.411  -9.152
  502    HB3  SER  62           HB3      SER  62  -4.380   5.845  -8.300
  503    HG   SER  62           HG       SER  62  -2.040   5.845  -7.498
  504    H    GLN  63           H        GLN  63  -4.611   2.281  -8.390
  505    HA   GLN  63           HA       GLN  63  -7.378   2.435  -7.979
  506    HB2  GLN  63           HB2      GLN  63  -5.590   0.146  -8.787
  507    HB3  GLN  63           HB3      GLN  63  -7.340  -0.012  -8.679
  508    HG2  GLN  63           HG2      GLN  63  -7.650   1.671 -10.366
  509    HG3  GLN  63           HG3      GLN  63  -5.922   2.009 -10.401
  510   HE21  GLN  63          HE21      GLN  63  -7.087  -1.252 -10.119
  511   HE22  GLN  63          HE22      GLN  63  -6.690  -1.754 -11.723
  512    H    TRP  64           H        TRP  64  -4.826   1.054  -6.047
  513    HA   TRP  64           HA       TRP  64  -6.485  -0.557  -4.433
  514    HB2  TRP  64           HB2      TRP  64  -4.069  -0.923  -4.472
  515    HB3  TRP  64           HB3      TRP  64  -3.803   0.666  -3.759
  516    HD1  TRP  64           HD1      TRP  64  -2.948   0.178  -1.370
  517    HE1  TRP  64           HE1      TRP  64  -3.804  -1.203   0.623
  518    HE3  TRP  64           HE3      TRP  64  -6.857  -2.223  -3.642
  519    HZ2  TRP  64           HZ2      TRP  64  -5.868  -3.042   1.160
  520    HZ3  TRP  64           HZ3      TRP  64  -8.217  -3.759  -2.318
  521    HH2  TRP  64           HH2      TRP  64  -7.734  -4.164   0.035
  522    H    PHE  65           H        PHE  65  -5.598   2.856  -4.239
  523    HA   PHE  65           HA       PHE  65  -6.683   3.348  -1.697
  524    HB2  PHE  65           HB2      PHE  65  -6.370   5.082  -4.131
  525    HB3  PHE  65           HB3      PHE  65  -7.167   5.689  -2.685
  526    HD1  PHE  65           HD1      PHE  65  -5.779   5.185  -0.449
  527    HD2  PHE  65           HD2      PHE  65  -4.139   5.543  -4.356
  528    HE1  PHE  65           HE1      PHE  65  -3.597   5.775   0.526
  529    HE2  PHE  65           HE2      PHE  65  -1.953   6.130  -3.392
  530    HZ   PHE  65           HZ       PHE  65  -1.682   6.249  -0.947
  531    H    GLU  66           H        GLU  66  -8.192   3.179  -4.885
  532    HA   GLU  66           HA       GLU  66 -10.808   3.832  -3.909
  533    HB2  GLU  66           HB2      GLU  66 -10.027   2.449  -6.481
  534    HB3  GLU  66           HB3      GLU  66 -11.578   3.205  -6.134
  535    HG2  GLU  66           HG2      GLU  66 -10.481   5.380  -5.959
  536    HG3  GLU  66           HG3      GLU  66  -8.930   4.620  -6.301
  537    H    HIS  67           H        HIS  67  -9.098   0.851  -4.717
  538    HA   HIS  67           HA       HIS  67 -11.273  -0.909  -4.330
  539    HB2  HIS  67           HB2      HIS  67  -8.300  -1.280  -4.441
  540    HB3  HIS  67           HB3      HIS  67  -9.343  -2.621  -3.986
  541    HD1  HIS  67           HD1      HIS  67  -9.141  -4.079  -6.010
  542    HD2  HIS  67           HD2      HIS  67 -10.087  -0.129  -6.962
  543    HE1  HIS  67           HE1      HIS  67  -9.617  -4.059  -8.479
  544    HE2  HIS  67           HE2      HIS  67 -10.150  -1.663  -9.047
  545    H    GLN  68           H        GLN  68  -8.715   0.210  -2.122
  546    HA   GLN  68           HA       GLN  68  -9.425  -1.525  -0.002
  547    HB2  GLN  68           HB2      GLN  68  -7.992  -0.245   1.385
  548    HB3  GLN  68           HB3      GLN  68  -7.260  -0.219  -0.211
  549    HG2  GLN  68           HG2      GLN  68  -8.263   2.024  -0.573
  550    HG3  GLN  68           HG3      GLN  68  -8.830   1.990   1.096
  551   HE21  GLN  68          HE21      GLN  68  -5.774   0.677   0.010
  552   HE22  GLN  68          HE22      GLN  68  -4.777   1.829   0.821
  553    H    GLU  69           H        GLU  69 -10.535   1.631  -1.011
  554    HA   GLU  69           HA       GLU  69 -12.025   2.389   1.217
  555    HB2  GLU  69           HB2      GLU  69 -11.654   3.923  -0.598
  556    HB3  GLU  69           HB3      GLU  69 -12.493   2.873  -1.728
  557    HG2  GLU  69           HG2      GLU  69 -13.862   4.778  -1.159
  558    HG3  GLU  69           HG3      GLU  69 -14.597   3.293  -0.569
  559    H    ARG  70           H        ARG  70 -12.723   0.019  -1.263
  560    HA   ARG  70           HA       ARG  70 -15.407  -0.361  -0.131
  561    HB2  ARG  70           HB2      ARG  70 -15.951  -1.577  -2.163
  562    HB3  ARG  70           HB3      ARG  70 -15.305   0.009  -2.556
  563    HG2  ARG  70           HG2      ARG  70 -13.075  -1.131  -2.892
  564    HG3  ARG  70           HG3      ARG  70 -13.952  -2.658  -2.805
  565    HD2  ARG  70           HD2      ARG  70 -13.697  -2.053  -5.109
  566    HD3  ARG  70           HD3      ARG  70 -15.393  -1.874  -4.664
  567    HE   ARG  70           HE       ARG  70 -14.664   0.600  -4.329
  568   HH11  ARG  70          HH11      ARG  70 -13.514  -1.580  -6.825
  569   HH12  ARG  70          HH12      ARG  70 -13.266  -0.314  -7.991
  570   HH21  ARG  70          HH21      ARG  70 -14.321   2.260  -5.826
  571   HH22  ARG  70          HH22      ARG  70 -13.730   1.889  -7.424
  572    H    LYS  71           H        LYS  71 -12.560  -1.429   0.702
  573    HA   LYS  71           HA       LYS  71 -13.545  -4.132   1.343
  574    HB2  LYS  71           HB2      LYS  71 -10.705  -3.562   0.474
  575    HB3  LYS  71           HB3      LYS  71 -11.387  -5.127   0.881
  576    HG2  LYS  71           HG2      LYS  71 -12.757  -5.104  -1.084
  577    HG3  LYS  71           HG3      LYS  71 -12.249  -3.455  -1.464
  578    HD2  LYS  71           HD2      LYS  71  -9.878  -4.363  -1.487
  579    HD3  LYS  71           HD3      LYS  71 -10.604  -5.968  -1.489
  580    HE2  LYS  71           HE2      LYS  71 -11.241  -3.845  -3.520
  581    HE3  LYS  71           HE3      LYS  71  -9.990  -5.067  -3.748
  582    HZ1  LYS  71           HZ1      LYS  71 -11.715  -6.111  -4.734
  583    HZ2  LYS  71           HZ2      LYS  71 -12.897  -5.346  -3.784
  584    HZ3  LYS  71           HZ3      LYS  71 -12.006  -6.641  -3.149
  585    H    LEU  72           H        LEU  72 -10.819  -4.685   2.471
  586    HA   LEU  72           HA       LEU  72  -9.611  -4.499   4.343
  587    HB2  LEU  72           HB2      LEU  72 -10.465  -1.640   4.033
  588    HB3  LEU  72           HB3      LEU  72  -9.377  -2.166   5.302
  589    HG   LEU  72           HG       LEU  72  -8.738  -1.421   2.644
  590   HD11  LEU  72          HD11      LEU  72  -7.072  -2.619   4.833
  591   HD12  LEU  72          HD12      LEU  72  -7.464  -0.910   4.643
  592   HD13  LEU  72          HD13      LEU  72  -6.462  -1.726   3.442
  593   HD21  LEU  72          HD21      LEU  72  -9.111  -3.703   1.920
  594   HD22  LEU  72          HD22      LEU  72  -8.104  -4.310   3.236
  595   HD23  LEU  72          HD23      LEU  72  -7.382  -3.354   1.942
  596    H    HIS  73           H        HIS  73 -12.612  -4.977   4.487
  597    HA   HIS  73           HA       HIS  73 -14.015  -5.644   6.152
  598    HB2  HIS  73           HB2      HIS  73 -11.902  -6.555   7.109
  599    HB3  HIS  73           HB3      HIS  73 -11.669  -5.047   7.977
  600    HD1  HIS  73           HD1      HIS  73 -14.162  -7.923   7.826
  601    HD2  HIS  73           HD2      HIS  73 -12.727  -5.044  10.464
  602    HE1  HIS  73           HE1      HIS  73 -15.171  -8.481  10.060
  603    HE2  HIS  73           HE2      HIS  73 -14.091  -6.875  11.673
  604    H    GLY  74           H        GLY  74 -13.326  -2.667   5.478
  605    HA2  GLY  74           HA2      GLY  74 -14.649  -0.779   5.954
  606    HA3  GLY  74           HA3      GLY  74 -15.175  -1.552   7.443
  607    H    THR  75           H        THR  75 -12.020  -2.072   7.540
  608    HA   THR  75           HA       THR  75 -11.509   0.385   9.066
  609    HB   THR  75           HB       THR  75  -9.596  -1.028  10.037
  610    HG1  THR  75           HG1      THR  75 -10.023  -2.683   8.260
  611   HG21  THR  75          HG21      THR  75 -12.445  -1.887  10.555
  612   HG22  THR  75          HG22      THR  75 -11.629  -0.507  11.295
  613   HG23  THR  75          HG23      THR  75 -11.077  -2.148  11.636
  614    H    LEU  76           H        LEU  76 -10.466   1.850   7.814
  615    HA   LEU  76           HA       LEU  76  -8.622   0.895   5.792
  616    HB2  LEU  76           HB2      LEU  76  -9.885   3.600   6.230
  617    HB3  LEU  76           HB3      LEU  76  -8.738   3.242   4.962
  618    HG   LEU  76           HG       LEU  76 -10.855   3.231   3.955
  619   HD11  LEU  76          HD11      LEU  76 -10.096   0.376   4.497
  620   HD12  LEU  76          HD12      LEU  76  -9.408   1.423   3.254
  621   HD13  LEU  76          HD13      LEU  76 -11.106   0.948   3.167
  622   HD21  LEU  76          HD21      LEU  76 -11.813   1.392   6.135
  623   HD22  LEU  76          HD22      LEU  76 -12.750   1.902   4.729
  624   HD23  LEU  76          HD23      LEU  76 -12.249   3.089   5.934
  625    HA   PRO  77           HA       PRO  77  -4.791   2.581   7.508
  626    HB2  PRO  77           HB2      PRO  77  -5.187   4.000   4.957
  627    HB3  PRO  77           HB3      PRO  77  -3.670   3.397   5.627
  628    HG2  PRO  77           HG2      PRO  77  -4.864   2.006   3.753
  629    HG3  PRO  77           HG3      PRO  77  -4.286   1.156   5.203
  630    HD2  PRO  77           HD2      PRO  77  -7.063   1.885   4.416
  631    HD3  PRO  77           HD3      PRO  77  -6.476   0.493   5.352
  632    H    LYS  78           H        LYS  78  -4.102   4.573   8.409
  633    HA   LYS  78           HA       LYS  78  -5.799   6.888   7.857
  634    HB2  LYS  78           HB2      LYS  78  -6.481   6.031  10.032
  635    HB3  LYS  78           HB3      LYS  78  -4.810   6.026  10.581
  636    HG2  LYS  78           HG2      LYS  78  -6.080   7.925  11.462
  637    HG3  LYS  78           HG3      LYS  78  -4.719   8.423  10.456
  638    HD2  LYS  78           HD2      LYS  78  -6.675   9.777   9.960
  639    HD3  LYS  78           HD3      LYS  78  -6.252   8.778   8.571
  640    HE2  LYS  78           HE2      LYS  78  -8.646   8.761   8.869
  641    HE3  LYS  78           HE3      LYS  78  -7.999   7.164   9.242
  642    HZ1  LYS  78           HZ1      LYS  78  -8.623   9.218  11.299
  643    HZ2  LYS  78           HZ2      LYS  78  -8.218   7.588  11.564
  644    HZ3  LYS  78           HZ3      LYS  78  -9.696   7.987  10.839
  645    H    LEU  79           H        LEU  79  -4.271   7.650   6.430
  646    HA   LEU  79           HA       LEU  79  -1.900   8.764   7.710
  647    HB2  LEU  79           HB2      LEU  79  -0.562   8.215   5.666
  648    HB3  LEU  79           HB3      LEU  79  -0.993   6.848   6.671
  649    HG   LEU  79           HG       LEU  79  -3.013   6.707   4.924
  650   HD11  LEU  79          HD11      LEU  79  -0.759   7.943   3.354
  651   HD12  LEU  79          HD12      LEU  79  -2.351   8.647   3.631
  652   HD13  LEU  79          HD13      LEU  79  -2.189   7.178   2.665
  653   HD21  LEU  79          HD21      LEU  79  -0.228   5.678   4.442
  654   HD22  LEU  79          HD22      LEU  79  -1.709   5.026   3.739
  655   HD23  LEU  79          HD23      LEU  79  -1.443   4.938   5.481
  656    H    ASN  80           H        ASN  80  -4.539   9.680   6.728
  657    HA   ASN  80           HA       ASN  80  -5.419  11.602   5.894
  658    HB2  ASN  80           HB2      ASN  80  -2.530  12.504   5.805
  659    HB3  ASN  80           HB3      ASN  80  -3.941  13.555   5.720
  660   HD21  ASN  80          HD21      ASN  80  -1.663  13.265   7.657
  661   HD22  ASN  80          HD22      ASN  80  -2.433  13.149   9.202
  662    H    PHE  81           H        PHE  81  -5.236   9.638   4.040
  663    HA   PHE  81           HA       PHE  81  -3.679  10.371   1.750
  664    HB2  PHE  81           HB2      PHE  81  -4.981   8.470   0.656
  665    HB3  PHE  81           HB3      PHE  81  -3.968   8.060   2.028
  666    HD1  PHE  81           HD1      PHE  81  -7.481   8.756   1.051
  667    HD2  PHE  81           HD2      PHE  81  -4.855   6.977   3.890
  668    HE1  PHE  81           HE1      PHE  81  -9.405   7.692   2.159
  669    HE2  PHE  81           HE2      PHE  81  -6.772   5.911   5.004
  670    HZ   PHE  81           HZ       PHE  81  -9.051   6.268   4.140
  671    H    GLY  82           H        GLY  82  -5.946  12.177   2.728
  672    HA2  GLY  82           HA2      GLY  82  -7.926  12.149   0.671
  673    HA3  GLY  82           HA3      GLY  82  -7.657  13.435   1.839
  674    H    MET  83           H        MET  83  -4.701  13.244   0.724
  675    HA   MET  83           HA       MET  83  -5.131  15.450  -1.102
  676    HB2  MET  83           HB2      MET  83  -2.826  15.926  -0.884
  677    HB3  MET  83           HB3      MET  83  -3.345  15.404   0.710
  678    HG2  MET  83           HG2      MET  83  -1.851  13.744  -1.310
  679    HG3  MET  83           HG3      MET  83  -1.183  14.467   0.150
  680    HE1  MET  83           HE1      MET  83  -0.871  11.389  -0.642
  681    HE2  MET  83           HE2      MET  83  -1.157  10.604   0.913
  682    HE3  MET  83           HE3      MET  83  -0.181  12.074   0.833
  683    H    LEU  84           H        LEU  84  -4.667  12.117  -1.329
  684    HA   LEU  84           HA       LEU  84  -3.530  12.305  -4.027
  685    HB2  LEU  84           HB2      LEU  84  -2.564  10.806  -2.148
  686    HB3  LEU  84           HB3      LEU  84  -3.925   9.756  -2.485
  687    HG   LEU  84           HG       LEU  84  -2.035  10.575  -4.678
  688   HD11  LEU  84          HD11      LEU  84  -0.750   8.552  -4.253
  689   HD12  LEU  84          HD12      LEU  84  -1.728   8.216  -2.824
  690   HD13  LEU  84          HD13      LEU  84  -0.683   9.637  -2.862
  691   HD21  LEU  84          HD21      LEU  84  -4.162   9.515  -5.299
  692   HD22  LEU  84          HD22      LEU  84  -3.770   8.137  -4.268
  693   HD23  LEU  84          HD23      LEU  84  -2.781   8.488  -5.686
  694    H    ARG  85           H        ARG  85  -6.378  11.320  -2.265
  695    HA   ARG  85           HA       ARG  85  -7.632   9.823  -4.269
  696    HB2  ARG  85           HB2      ARG  85  -8.864  11.523  -2.092
  697    HB3  ARG  85           HB3      ARG  85  -9.752  10.380  -3.093
  698    HG2  ARG  85           HG2      ARG  85  -7.653   8.887  -2.149
  699    HG3  ARG  85           HG3      ARG  85  -8.083   9.908  -0.779
  700    HD2  ARG  85           HD2      ARG  85 -10.176   8.429  -2.323
  701    HD3  ARG  85           HD3      ARG  85  -9.254   7.626  -1.057
  702    HE   ARG  85           HE       ARG  85 -10.563  10.115  -0.319
  703   HH11  ARG  85          HH11      ARG  85 -10.670   6.628  -0.399
  704   HH12  ARG  85          HH12      ARG  85 -11.840   6.486   0.877
  705   HH21  ARG  85          HH21      ARG  85 -12.077   9.950   1.424
  706   HH22  ARG  85          HH22      ARG  85 -12.623   8.370   1.927
  707    H    LYS  86           H        LYS  86  -9.421  10.458  -5.650
  708    HA   LYS  86           HA       LYS  86 -10.221  11.647  -7.417
  709    HB2  LYS  86           HB2      LYS  86 -10.422  13.700  -6.147
  710    HB3  LYS  86           HB3      LYS  86  -8.688  13.982  -6.251
  711    HG2  LYS  86           HG2      LYS  86  -8.872  14.272  -8.662
  712    HG3  LYS  86           HG3      LYS  86 -10.604  13.953  -8.569
  713    HD2  LYS  86           HD2      LYS  86  -9.250  16.196  -7.089
  714    HD3  LYS  86           HD3      LYS  86  -9.950  16.378  -8.698
  715    HE2  LYS  86           HE2      LYS  86 -11.459  15.433  -6.271
  716    HE3  LYS  86           HE3      LYS  86 -11.460  17.096  -6.860
  717    HZ1  LYS  86           HZ1      LYS  86 -12.269  16.112  -9.037
  718    HZ2  LYS  86           HZ2      LYS  86 -13.374  16.118  -7.751
  719    HZ3  LYS  86           HZ3      LYS  86 -12.572  14.682  -8.172
  720    H    MET  87           H        MET  87  -6.918  11.594  -6.490
  721    HA   MET  87           HA       MET  87  -5.081  10.826  -7.545
  722    HB2  MET  87           HB2      MET  87  -6.803  10.476 -10.003
  723    HB3  MET  87           HB3      MET  87  -5.210   9.780  -9.732
  724    HG2  MET  87           HG2      MET  87  -7.673   9.181  -8.109
  725    HG3  MET  87           HG3      MET  87  -7.014   8.156  -9.386
  726    HE1  MET  87           HE1      MET  87  -6.353   6.348  -5.891
  727    HE2  MET  87           HE2      MET  87  -7.268   6.276  -7.398
  728    HE3  MET  87           HE3      MET  87  -7.662   7.493  -6.185
  729    H    GLY  88           H        GLY  88  -6.292  13.625  -7.772
  730    HA2  GLY  88           HA2      GLY  88  -4.536  15.332  -8.246
  731    HA3  GLY  88           HA3      GLY  88  -4.411  14.584  -9.832
  Start of MODEL   17
    1    H1   PHE   1           HT1      PHE   1  17.462 -10.785   0.725
    2    H2   PHE   1           HT2      PHE   1  17.540 -11.925   1.973
    3    H3   PHE   1           HT3      PHE   1  18.931 -11.060   1.528
    4    HA   PHE   1           HA       PHE   1  18.044 -10.179   3.560
    5    HB2  PHE   1           HB2      PHE   1  19.109  -8.622   1.984
    6    HB3  PHE   1           HB3      PHE   1  17.564  -8.369   1.181
    7    HD1  PHE   1           HD1      PHE   1  19.319  -7.929   4.416
    8    HD2  PHE   1           HD2      PHE   1  16.091  -6.715   1.922
    9    HE1  PHE   1           HE1      PHE   1  18.832  -6.071   5.954
   10    HE2  PHE   1           HE2      PHE   1  15.600  -4.855   3.456
   11    HZ   PHE   1           HZ       PHE   1  16.973  -4.532   5.476
   12    H    LEU   2           H        LEU   2  16.302 -10.602   4.713
   13    HA   LEU   2           HA       LEU   2  13.647 -10.378   3.569
   14    HB2  LEU   2           HB2      LEU   2  12.842 -11.189   5.699
   15    HB3  LEU   2           HB3      LEU   2  14.167 -12.195   5.156
   16    HG   LEU   2           HG       LEU   2  15.543 -10.521   6.740
   17   HD11  LEU   2          HD11      LEU   2  12.803 -10.651   7.985
   18   HD12  LEU   2          HD12      LEU   2  13.615  -9.201   7.394
   19   HD13  LEU   2          HD13      LEU   2  14.269 -10.076   8.779
   20   HD21  LEU   2          HD21      LEU   2  13.977 -12.936   7.637
   21   HD22  LEU   2          HD22      LEU   2  15.353 -12.239   8.492
   22   HD23  LEU   2          HD23      LEU   2  15.574 -12.938   6.889
   23    H    LEU   3           H        LEU   3  12.118  -8.843   4.155
   24    HA   LEU   3           HA       LEU   3  13.201  -6.301   4.931
   25    HB2  LEU   3           HB2      LEU   3  10.464  -7.255   4.149
   26    HB3  LEU   3           HB3      LEU   3  10.684  -5.661   4.836
   27    HG   LEU   3           HG       LEU   3  10.591  -5.481   2.441
   28   HD11  LEU   3          HD11      LEU   3  13.415  -5.119   3.429
   29   HD12  LEU   3          HD12      LEU   3  12.094  -3.959   3.591
   30   HD13  LEU   3          HD13      LEU   3  12.718  -4.368   1.992
   31   HD21  LEU   3          HD21      LEU   3  11.264  -7.746   1.843
   32   HD22  LEU   3          HD22      LEU   3  12.912  -7.406   2.369
   33   HD23  LEU   3          HD23      LEU   3  12.236  -6.552   0.982
   34    HA   PRO   4           HA       PRO   4  12.659  -7.178   9.285
   35    HB2  PRO   4           HB2      PRO   4  13.397  -4.327   9.532
   36    HB3  PRO   4           HB3      PRO   4  14.161  -5.752  10.243
   37    HG2  PRO   4           HG2      PRO   4  15.310  -4.399   8.233
   38    HG3  PRO   4           HG3      PRO   4  15.448  -6.163   8.369
   39    HD2  PRO   4           HD2      PRO   4  13.701  -4.530   6.570
   40    HD3  PRO   4           HD3      PRO   4  14.573  -6.040   6.233
   41    HA   PRO   5           HA       PRO   5   8.485  -5.705   9.709
   42    HB2  PRO   5           HB2      PRO   5   8.369  -6.062  12.462
   43    HB3  PRO   5           HB3      PRO   5   8.022  -7.307  11.260
   44    HG2  PRO   5           HG2      PRO   5  10.523  -6.809  12.812
   45    HG3  PRO   5           HG3      PRO   5   9.768  -8.351  12.362
   46    HD2  PRO   5           HD2      PRO   5  11.915  -7.415  11.062
   47    HD3  PRO   5           HD3      PRO   5  10.622  -8.279  10.204
   48    H    SER   6           H        SER   6   7.683  -3.745   9.968
   49    HA   SER   6           HA       SER   6   7.304  -1.626  10.668
   50    HB2  SER   6           HB2      SER   6   7.566  -2.552  12.979
   51    HB3  SER   6           HB3      SER   6   9.278  -2.143  12.900
   52    HG   SER   6           HG       SER   6   8.740   0.018  12.755
   53    H    THR   7           H        THR   7  10.051  -2.728   9.359
   54    HA   THR   7           HA       THR   7  11.373  -0.109   9.349
   55    HB   THR   7           HB       THR   7  12.438  -2.729   8.280
   56    HG1  THR   7           HG1      THR   7  12.161  -2.749  10.578
   57   HG21  THR   7          HG21      THR   7  14.606  -1.570   8.327
   58   HG22  THR   7          HG22      THR   7  13.804  -0.096   8.872
   59   HG23  THR   7          HG23      THR   7  13.460  -0.744   7.269
   60    H    ALA   8           H        ALA   8  10.206   1.050   7.896
   61    HA   ALA   8           HA       ALA   8   9.438  -0.091   5.361
   62    HB1  ALA   8           HB1      ALA   8   7.959   1.483   6.517
   63    HB2  ALA   8           HB2      ALA   8   8.417   2.076   4.919
   64    HB3  ALA   8           HB3      ALA   8   9.181   2.746   6.362
   65    H    CYS   9           H        CYS   9  11.459  -0.606   4.471
   66    HA   CYS   9           HA       CYS   9  12.602   1.604   2.999
   67    HB2  CYS   9           HB2      CYS   9  13.970   1.517   5.077
   68    HB3  CYS   9           HB3      CYS   9  14.390  -0.151   4.696
   69    H    CYS  10           H        CYS  10  11.696   0.581   1.243
   70    HA   CYS  10           HA       CYS  10  12.411  -2.160   0.657
   71    HB2  CYS  10           HB2      CYS  10  10.743  -0.126  -0.829
   72    HB3  CYS  10           HB3      CYS  10  11.011  -1.776  -1.388
   73    H    THR  11           H        THR  11  14.239  -2.666  -0.282
   74    HA   THR  11           HA       THR  11  15.694  -0.723  -1.873
   75    HB   THR  11           HB       THR  11  17.382  -2.668  -1.963
   76    HG1  THR  11           HG1      THR  11  17.034  -4.251  -0.348
   77   HG21  THR  11          HG21      THR  11  16.621  -1.442   0.694
   78   HG22  THR  11          HG22      THR  11  17.690  -0.730  -0.513
   79   HG23  THR  11          HG23      THR  11  18.170  -2.203   0.328
   80    H    GLN  12           H        GLN  12  13.213  -2.627  -2.536
   81    HA   GLN  12           HA       GLN  12  13.897  -2.862  -5.320
   82    HB2  GLN  12           HB2      GLN  12  12.944  -5.293  -5.279
   83    HB3  GLN  12           HB3      GLN  12  14.637  -5.004  -4.927
   84    HG2  GLN  12           HG2      GLN  12  13.694  -6.649  -3.419
   85    HG3  GLN  12           HG3      GLN  12  14.193  -5.206  -2.542
   86   HE21  GLN  12          HE21      GLN  12  12.689  -4.034  -1.451
   87   HE22  GLN  12          HE22      GLN  12  11.036  -4.494  -1.287
   88    H    LEU  13           H        LEU  13  11.959  -3.617  -6.608
   89    HA   LEU  13           HA       LEU  13   9.468  -2.744  -5.311
   90    HB2  LEU  13           HB2      LEU  13  10.411  -2.000  -8.085
   91    HB3  LEU  13           HB3      LEU  13   8.865  -1.565  -7.384
   92    HG   LEU  13           HG       LEU  13  11.513  -0.663  -6.252
   93   HD11  LEU  13          HD11      LEU  13  11.288   0.236  -8.481
   94   HD12  LEU  13          HD12      LEU  13  11.005   1.510  -7.296
   95   HD13  LEU  13          HD13      LEU  13   9.645   0.766  -8.133
   96   HD21  LEU  13          HD21      LEU  13  10.126   0.986  -5.081
   97   HD22  LEU  13          HD22      LEU  13   9.678  -0.666  -4.655
   98   HD23  LEU  13          HD23      LEU  13   8.678   0.257  -5.778
   99    H    TYR  14           H        TYR  14   7.566  -3.701  -6.094
  100    HA   TYR  14           HA       TYR  14   7.937  -6.301  -7.298
  101    HB2  TYR  14           HB2      TYR  14   6.302  -5.681  -5.408
  102    HB3  TYR  14           HB3      TYR  14   5.287  -5.006  -6.678
  103    HD1  TYR  14           HD1      TYR  14   6.766  -8.097  -5.337
  104    HD2  TYR  14           HD2      TYR  14   4.026  -6.441  -8.136
  105    HE1  TYR  14           HE1      TYR  14   5.809 -10.330  -5.712
  106    HE2  TYR  14           HE2      TYR  14   3.061  -8.671  -8.520
  107    HH   TYR  14           HH       TYR  14   3.672 -11.303  -6.477
  108    H    ARG  15           H        ARG  15   6.432  -3.227  -8.146
  109    HA   ARG  15           HA       ARG  15   6.133  -2.198 -10.144
  110    HB2  ARG  15           HB2      ARG  15   7.557  -4.624 -11.214
  111    HB3  ARG  15           HB3      ARG  15   6.978  -3.327 -12.248
  112    HG2  ARG  15           HG2      ARG  15   8.432  -1.749 -11.204
  113    HG3  ARG  15           HG3      ARG  15   8.891  -2.917  -9.963
  114    HD2  ARG  15           HD2      ARG  15  10.577  -2.620 -11.781
  115    HD3  ARG  15           HD3      ARG  15  10.022  -4.280 -11.558
  116    HE   ARG  15           HE       ARG  15   8.918  -2.543 -13.673
  117   HH11  ARG  15          HH11      ARG  15  10.370  -5.543 -12.613
  118   HH12  ARG  15          HH12      ARG  15  10.200  -6.325 -14.152
  119   HH21  ARG  15          HH21      ARG  15   8.696  -3.567 -15.714
  120   HH22  ARG  15          HH22      ARG  15   9.234  -5.209 -15.913
  121    H    LYS  16           H        LYS  16   5.289  -5.652 -10.262
  122    HA   LYS  16           HA       LYS  16   3.257  -5.256 -12.238
  123    HB2  LYS  16           HB2      LYS  16   3.699  -7.597 -10.381
  124    HB3  LYS  16           HB3      LYS  16   2.651  -7.590 -11.791
  125    HG2  LYS  16           HG2      LYS  16   4.694  -7.088 -13.173
  126    HG3  LYS  16           HG3      LYS  16   5.649  -7.409 -11.724
  127    HD2  LYS  16           HD2      LYS  16   3.742  -9.333 -13.050
  128    HD3  LYS  16           HD3      LYS  16   5.501  -9.392 -13.147
  129    HE2  LYS  16           HE2      LYS  16   5.680  -9.843 -10.801
  130    HE3  LYS  16           HE3      LYS  16   3.952  -9.567 -10.572
  131    HZ1  LYS  16           HZ1      LYS  16   4.497 -11.926 -10.636
  132    HZ2  LYS  16           HZ2      LYS  16   5.132 -11.751 -12.201
  133    HZ3  LYS  16           HZ3      LYS  16   3.483 -11.492 -11.922
  134    HA   PRO  17           HA       PRO  17  -0.176  -4.212  -9.615
  135    HB2  PRO  17           HB2      PRO  17  -1.979  -5.572 -11.456
  136    HB3  PRO  17           HB3      PRO  17  -1.794  -3.842 -11.158
  137    HG2  PRO  17           HG2      PRO  17  -1.042  -5.027 -13.482
  138    HG3  PRO  17           HG3      PRO  17  -0.239  -3.588 -12.826
  139    HD2  PRO  17           HD2      PRO  17   0.617  -6.457 -12.712
  140    HD3  PRO  17           HD3      PRO  17   1.593  -5.000 -13.006
  141    H    LEU  18           H        LEU  18  -0.902  -5.179  -7.845
  142    HA   LEU  18           HA       LEU  18  -0.726  -8.011  -7.525
  143    HB2  LEU  18           HB2      LEU  18  -1.896  -5.909  -5.702
  144    HB3  LEU  18           HB3      LEU  18  -1.597  -7.578  -5.258
  145    HG   LEU  18           HG       LEU  18   0.493  -5.523  -5.978
  146   HD11  LEU  18          HD11      LEU  18   1.189  -5.784  -3.639
  147   HD12  LEU  18          HD12      LEU  18  -0.183  -6.854  -3.360
  148   HD13  LEU  18          HD13      LEU  18  -0.456  -5.163  -3.774
  149   HD21  LEU  18          HD21      LEU  18   0.801  -8.412  -5.173
  150   HD22  LEU  18          HD22      LEU  18   2.115  -7.251  -5.352
  151   HD23  LEU  18          HD23      LEU  18   1.160  -7.724  -6.757
  152    H    SER  19           H        SER  19  -2.519  -9.357  -6.769
  153    HA   SER  19           HA       SER  19  -4.861  -8.932  -8.411
  154    HB2  SER  19           HB2      SER  19  -4.156 -11.261  -6.612
  155    HB3  SER  19           HB3      SER  19  -5.427 -11.230  -7.836
  156    HG   SER  19           HG       SER  19  -3.480 -10.591  -9.250
  157    H    ASP  20           H        ASP  20  -6.954  -8.720  -7.691
  158    HA   ASP  20           HA       ASP  20  -7.277  -7.104  -5.430
  159    HB2  ASP  20           HB2      ASP  20  -8.747  -7.314  -7.532
  160    HB3  ASP  20           HB3      ASP  20  -9.545  -8.620  -6.659
  161    H    LYS  21           H        LYS  21  -7.570 -10.548  -5.804
  162    HA   LYS  21           HA       LYS  21  -9.074 -11.172  -3.522
  163    HB2  LYS  21           HB2      LYS  21  -6.914 -12.753  -4.924
  164    HB3  LYS  21           HB3      LYS  21  -7.942 -13.403  -3.655
  165    HG2  LYS  21           HG2      LYS  21  -8.904 -12.326  -6.294
  166    HG3  LYS  21           HG3      LYS  21  -8.704 -14.031  -5.893
  167    HD2  LYS  21           HD2      LYS  21 -10.328 -13.705  -4.028
  168    HD3  LYS  21           HD3      LYS  21 -10.601 -12.067  -4.622
  169    HE2  LYS  21           HE2      LYS  21 -11.036 -14.578  -6.235
  170    HE3  LYS  21           HE3      LYS  21 -12.308 -13.691  -5.399
  171    HZ1  LYS  21           HZ1      LYS  21 -11.853 -11.773  -6.784
  172    HZ2  LYS  21           HZ2      LYS  21 -12.191 -13.121  -7.753
  173    HZ3  LYS  21           HZ3      LYS  21 -10.589 -12.594  -7.571
  174    H    LEU  22           H        LEU  22  -5.569 -10.788  -3.944
  175    HA   LEU  22           HA       LEU  22  -5.085 -11.246  -1.171
  176    HB2  LEU  22           HB2      LEU  22  -2.784 -10.782  -1.591
  177    HB3  LEU  22           HB3      LEU  22  -3.399 -11.786  -2.885
  178    HG   LEU  22           HG       LEU  22  -3.670  -9.483  -4.127
  179   HD11  LEU  22          HD11      LEU  22  -1.862  -7.933  -3.531
  180   HD12  LEU  22          HD12      LEU  22  -1.515  -8.909  -2.102
  181   HD13  LEU  22          HD13      LEU  22  -3.066  -8.084  -2.249
  182   HD21  LEU  22          HD21      LEU  22  -2.273 -11.326  -4.874
  183   HD22  LEU  22          HD22      LEU  22  -1.023 -10.868  -3.718
  184   HD23  LEU  22          HD23      LEU  22  -1.422  -9.793  -5.057
  185    H    LEU  23           H        LEU  23  -5.875  -8.506  -3.104
  186    HA   LEU  23           HA       LEU  23  -4.948  -6.440  -1.462
  187    HB2  LEU  23           HB2      LEU  23  -6.968  -6.710  -3.585
  188    HB3  LEU  23           HB3      LEU  23  -7.222  -5.373  -2.488
  189    HG   LEU  23           HG       LEU  23  -5.113  -4.389  -3.054
  190   HD11  LEU  23          HD11      LEU  23  -3.757  -6.379  -3.228
  191   HD12  LEU  23          HD12      LEU  23  -3.585  -5.394  -4.678
  192   HD13  LEU  23          HD13      LEU  23  -4.587  -6.846  -4.712
  193   HD21  LEU  23          HD21      LEU  23  -6.948  -3.944  -4.601
  194   HD22  LEU  23          HD22      LEU  23  -6.484  -5.346  -5.565
  195   HD23  LEU  23          HD23      LEU  23  -5.396  -3.963  -5.440
  196    H    ARG  24           H        ARG  24  -8.065  -8.182  -1.362
  197    HA   ARG  24           HA       ARG  24  -9.080  -6.762   0.873
  198    HB2  ARG  24           HB2      ARG  24 -10.674  -8.629   1.102
  199    HB3  ARG  24           HB3      ARG  24 -10.569  -8.037  -0.550
  200    HG2  ARG  24           HG2      ARG  24  -9.251  -9.912  -1.212
  201    HG3  ARG  24           HG3      ARG  24  -9.095 -10.455   0.458
  202    HD2  ARG  24           HD2      ARG  24 -10.757 -11.750  -0.844
  203    HD3  ARG  24           HD3      ARG  24 -11.440 -10.955   0.571
  204    HE   ARG  24           HE       ARG  24 -12.124  -9.164  -1.144
  205   HH11  ARG  24          HH11      ARG  24 -11.940 -12.598  -1.820
  206   HH12  ARG  24          HH12      ARG  24 -13.225 -12.561  -2.997
  207   HH21  ARG  24          HH21      ARG  24 -13.794  -9.106  -2.699
  208   HH22  ARG  24          HH22      ARG  24 -14.274 -10.565  -3.507
  209    H    LYS  25           H        LYS  25  -6.370  -8.498   0.822
  210    HA   LYS  25           HA       LYS  25  -6.695  -9.635   3.518
  211    HB2  LYS  25           HB2      LYS  25  -4.515 -10.117   1.479
  212    HB3  LYS  25           HB3      LYS  25  -4.621 -10.874   3.060
  213    HG2  LYS  25           HG2      LYS  25  -6.608 -12.056   2.429
  214    HG3  LYS  25           HG3      LYS  25  -6.681 -11.188   0.893
  215    HD2  LYS  25           HD2      LYS  25  -5.759 -13.398   0.539
  216    HD3  LYS  25           HD3      LYS  25  -4.515 -12.180   0.263
  217    HE2  LYS  25           HE2      LYS  25  -3.571 -13.996   1.502
  218    HE3  LYS  25           HE3      LYS  25  -3.669 -12.575   2.541
  219    HZ1  LYS  25           HZ1      LYS  25  -5.582 -13.476   3.623
  220    HZ2  LYS  25           HZ2      LYS  25  -4.381 -14.675   3.619
  221    HZ3  LYS  25           HZ3      LYS  25  -5.673 -14.766   2.524
  222    H    VAL  26           H        VAL  26  -5.200  -7.167   1.673
  223    HA   VAL  26           HA       VAL  26  -2.938  -6.590   3.241
  224    HB   VAL  26           HB       VAL  26  -4.610  -4.618   1.661
  225   HG11  VAL  26          HG11      VAL  26  -2.989  -3.538   3.102
  226   HG12  VAL  26          HG12      VAL  26  -2.499  -3.393   1.414
  227   HG13  VAL  26          HG13      VAL  26  -1.706  -4.567   2.466
  228   HG21  VAL  26          HG21      VAL  26  -3.101  -5.090  -0.217
  229   HG22  VAL  26          HG22      VAL  26  -4.032  -6.513   0.256
  230   HG23  VAL  26          HG23      VAL  26  -2.338  -6.369   0.727
  231    H    ILE  27           H        ILE  27  -2.649  -5.100   4.959
  232    HA   ILE  27           HA       ILE  27  -5.152  -4.530   6.397
  233    HB   ILE  27           HB       ILE  27  -3.827  -4.509   8.471
  234   HG12  ILE  27          HG12      ILE  27  -1.543  -5.451   6.718
  235   HG13  ILE  27          HG13      ILE  27  -1.653  -3.867   7.477
  236   HG21  ILE  27          HG21      ILE  27  -3.403  -6.937   8.571
  237   HG22  ILE  27          HG22      ILE  27  -3.572  -7.017   6.818
  238   HG23  ILE  27          HG23      ILE  27  -4.948  -6.545   7.815
  239   HD11  ILE  27          HD11      ILE  27  -1.604  -4.936   9.678
  240   HD12  ILE  27          HD12      ILE  27  -0.173  -5.313   8.720
  241   HD13  ILE  27          HD13      ILE  27  -1.457  -6.512   8.898
  242    H    GLN  28           H        GLN  28  -2.234  -3.104   5.127
  243    HA   GLN  28           HA       GLN  28  -3.191  -0.458   5.865
  244    HB2  GLN  28           HB2      GLN  28  -0.627  -1.649   6.880
  245    HB3  GLN  28           HB3      GLN  28  -0.790   0.089   6.663
  246    HG2  GLN  28           HG2      GLN  28  -2.598  -1.602   8.378
  247    HG3  GLN  28           HG3      GLN  28  -1.229  -0.661   8.971
  248   HE21  GLN  28          HE21      GLN  28  -4.102  -0.448   9.563
  249   HE22  GLN  28          HE22      GLN  28  -4.530   1.183   9.187
  250    H    VAL  29           H        VAL  29  -2.375   1.207   4.643
  251    HA   VAL  29           HA       VAL  29  -0.576   0.479   2.432
  252    HB   VAL  29           HB       VAL  29  -2.730   1.260   1.603
  253   HG11  VAL  29          HG11      VAL  29  -3.466   2.571   3.507
  254   HG12  VAL  29          HG12      VAL  29  -3.527   3.541   2.036
  255   HG13  VAL  29          HG13      VAL  29  -2.213   3.771   3.190
  256   HG21  VAL  29          HG21      VAL  29  -0.557   3.320   1.238
  257   HG22  VAL  29          HG22      VAL  29  -1.969   3.127   0.196
  258   HG23  VAL  29          HG23      VAL  29  -0.767   1.840   0.302
  259    H    GLU  30           H        GLU  30   1.403   1.411   2.430
  260    HA   GLU  30           HA       GLU  30   1.875   3.410   4.546
  261    HB2  GLU  30           HB2      GLU  30   3.972   1.413   3.857
  262    HB3  GLU  30           HB3      GLU  30   3.610   2.175   5.404
  263    HG2  GLU  30           HG2      GLU  30   1.524   0.815   5.499
  264    HG3  GLU  30           HG3      GLU  30   2.080  -0.035   4.048
  265    H    LEU  31           H        LEU  31   3.594   4.870   4.243
  266    HA   LEU  31           HA       LEU  31   4.472   5.122   1.445
  267    HB2  LEU  31           HB2      LEU  31   2.875   6.830   1.798
  268    HB3  LEU  31           HB3      LEU  31   3.530   7.229   3.374
  269    HG   LEU  31           HG       LEU  31   5.548   8.154   2.297
  270   HD11  LEU  31          HD11      LEU  31   5.545   8.525  -0.141
  271   HD12  LEU  31          HD12      LEU  31   4.102   7.519  -0.273
  272   HD13  LEU  31          HD13      LEU  31   5.619   6.816   0.285
  273   HD21  LEU  31          HD21      LEU  31   4.483  10.140   1.341
  274   HD22  LEU  31          HD22      LEU  31   3.678   9.620   2.821
  275   HD23  LEU  31          HD23      LEU  31   2.949   9.274   1.254
  276    H    GLN  32           H        GLN  32   6.535   4.721   1.320
  277    HA   GLN  32           HA       GLN  32   8.377   5.461   3.447
  278    HB2  GLN  32           HB2      GLN  32   8.736   3.317   2.379
  279    HB3  GLN  32           HB3      GLN  32   8.776   4.077   0.794
  280    HG2  GLN  32           HG2      GLN  32  10.800   5.298   1.451
  281    HG3  GLN  32           HG3      GLN  32  10.772   4.472   3.009
  282   HE21  GLN  32          HE21      GLN  32  12.733   4.483   0.804
  283   HE22  GLN  32          HE22      GLN  32  12.967   2.822   0.397
  284    H    GLU  33           H        GLU  33   8.884   7.577   3.499
  285    HA   GLU  33           HA       GLU  33   8.731   9.206   1.145
  286    HB2  GLU  33           HB2      GLU  33   9.704   9.799   3.944
  287    HB3  GLU  33           HB3      GLU  33   9.574  11.010   2.671
  288    HG2  GLU  33           HG2      GLU  33   7.183  10.642   2.519
  289    HG3  GLU  33           HG3      GLU  33   7.286   9.352   3.712
  290    H    ALA  34           H        ALA  34  10.509  10.440   0.258
  291    HA   ALA  34           HA       ALA  34  12.536   8.535  -0.443
  292    HB1  ALA  34           HB1      ALA  34  11.405   9.936  -2.098
  293    HB2  ALA  34           HB2      ALA  34  13.156  10.125  -2.154
  294    HB3  ALA  34           HB3      ALA  34  12.160  11.364  -1.394
  295    H    ASP  35           H        ASP  35  12.670   9.810   2.261
  296    HA   ASP  35           HA       ASP  35  15.444  10.006   2.498
  297    HB2  ASP  35           HB2      ASP  35  15.811  12.353   2.954
  298    HB3  ASP  35           HB3      ASP  35  15.104  12.194   1.351
  299    H    GLY  36           H        GLY  36  12.256  10.378   3.715
  300    HA2  GLY  36           HA2      GLY  36  12.715  10.986   6.397
  301    HA3  GLY  36           HA3      GLY  36  11.361  10.035   5.799
  302    H    ASP  37           H        ASP  37  12.494   7.793   4.860
  303    HA   ASP  37           HA       ASP  37  13.879   6.660   7.193
  304    HB2  ASP  37           HB2      ASP  37  12.026   5.460   5.146
  305    HB3  ASP  37           HB3      ASP  37  13.145   4.441   6.045
  306    H    CYS  38           H        CYS  38  13.673   6.237   3.683
  307    HA   CYS  38           HA       CYS  38  16.594   6.093   3.553
  308    HB2  CYS  38           HB2      CYS  38  14.682   4.136   2.257
  309    HB3  CYS  38           HB3      CYS  38  16.408   4.214   1.935
  310    H    HIS  39           H        HIS  39  17.431   6.598   1.409
  311    HA   HIS  39           HA       HIS  39  15.924   8.693   0.179
  312    HB2  HIS  39           HB2      HIS  39  17.873   8.720  -1.481
  313    HB3  HIS  39           HB3      HIS  39  18.231   9.098   0.198
  314    HD1  HIS  39           HD1      HIS  39  20.482   8.229   0.669
  315    HD2  HIS  39           HD2      HIS  39  18.279   5.560  -1.639
  316    HE1  HIS  39           HE1      HIS  39  21.943   6.203   0.390
  317    HE2  HIS  39           HE2      HIS  39  20.650   4.659  -1.125
  318    H    LEU  40           H        LEU  40  14.086   7.250  -0.299
  319    HA   LEU  40           HA       LEU  40  13.876   6.786  -3.079
  320    HB2  LEU  40           HB2      LEU  40  15.211   4.746  -2.237
  321    HB3  LEU  40           HB3      LEU  40  13.739   4.263  -1.421
  322    HG   LEU  40           HG       LEU  40  13.834   4.709  -4.401
  323   HD11  LEU  40          HD11      LEU  40  14.155   2.300  -4.641
  324   HD12  LEU  40          HD12      LEU  40  14.326   2.143  -2.893
  325   HD13  LEU  40          HD13      LEU  40  15.526   3.046  -3.819
  326   HD21  LEU  40          HD21      LEU  40  12.004   3.059  -2.657
  327   HD22  LEU  40          HD22      LEU  40  11.884   3.260  -4.405
  328   HD23  LEU  40          HD23      LEU  40  11.615   4.639  -3.337
  329    H    GLN  41           H        GLN  41  11.764   7.250  -3.481
  330    HA   GLN  41           HA       GLN  41   9.900   7.156  -1.238
  331    HB2  GLN  41           HB2      GLN  41  10.045   9.177  -2.724
  332    HB3  GLN  41           HB3      GLN  41   9.397   8.197  -4.031
  333    HG2  GLN  41           HG2      GLN  41   7.369   7.799  -2.710
  334    HG3  GLN  41           HG3      GLN  41   8.016   8.822  -1.429
  335   HE21  GLN  41          HE21      GLN  41   6.666   8.731  -4.620
  336   HE22  GLN  41          HE22      GLN  41   6.343  10.422  -4.752
  337    H    ALA  42           H        ALA  42   8.699   5.441  -0.909
  338    HA   ALA  42           HA       ALA  42   7.752   3.880  -3.211
  339    HB1  ALA  42           HB1      ALA  42   9.061   2.736  -0.747
  340    HB2  ALA  42           HB2      ALA  42   9.701   2.699  -2.393
  341    HB3  ALA  42           HB3      ALA  42   8.242   1.790  -1.989
  342    H    PHE  43           H        PHE  43   5.921   2.520  -2.717
  343    HA   PHE  43           HA       PHE  43   4.538   3.235  -0.220
  344    HB2  PHE  43           HB2      PHE  43   3.453   2.809  -2.988
  345    HB3  PHE  43           HB3      PHE  43   2.441   2.512  -1.579
  346    HD1  PHE  43           HD1      PHE  43   4.319   5.092  -3.427
  347    HD2  PHE  43           HD2      PHE  43   1.514   4.285  -0.333
  348    HE1  PHE  43           HE1      PHE  43   3.735   7.481  -3.339
  349    HE2  PHE  43           HE2      PHE  43   0.929   6.673  -0.236
  350    HZ   PHE  43           HZ       PHE  43   2.037   8.272  -1.743
  351    H    VAL  44           H        VAL  44   4.209   1.587   1.103
  352    HA   VAL  44           HA       VAL  44   4.843  -1.075   0.066
  353    HB   VAL  44           HB       VAL  44   4.734  -0.180   2.950
  354   HG11  VAL  44          HG11      VAL  44   4.378  -2.577   2.645
  355   HG12  VAL  44          HG12      VAL  44   5.946  -2.261   3.390
  356   HG13  VAL  44          HG13      VAL  44   5.851  -2.680   1.679
  357   HG21  VAL  44          HG21      VAL  44   6.482   1.012   1.766
  358   HG22  VAL  44          HG22      VAL  44   7.091  -0.501   1.097
  359   HG23  VAL  44          HG23      VAL  44   7.197  -0.201   2.833
  360    H    LEU  45           H        LEU  45   3.253  -2.436  -0.271
  361    HA   LEU  45           HA       LEU  45   0.646  -1.905   0.922
  362    HB2  LEU  45           HB2      LEU  45   1.385  -4.018  -1.114
  363    HB3  LEU  45           HB3      LEU  45  -0.234  -3.508  -0.664
  364    HG   LEU  45           HG       LEU  45   1.806  -2.014  -2.295
  365   HD11  LEU  45          HD11      LEU  45  -0.028  -1.819  -3.875
  366   HD12  LEU  45          HD12      LEU  45  -1.086  -2.698  -2.768
  367   HD13  LEU  45          HD13      LEU  45   0.308  -3.509  -3.488
  368   HD21  LEU  45          HD21      LEU  45   0.462  -0.031  -2.187
  369   HD22  LEU  45          HD22      LEU  45   0.911  -0.502  -0.549
  370   HD23  LEU  45          HD23      LEU  45  -0.714  -0.833  -1.145
  371    H    HIS  46           H        HIS  46   0.380  -2.688   2.868
  372    HA   HIS  46           HA       HIS  46   2.198  -4.812   3.730
  373    HB2  HIS  46           HB2      HIS  46   2.020  -2.500   4.838
  374    HB3  HIS  46           HB3      HIS  46   0.503  -3.075   5.511
  375    HD1  HIS  46           HD1      HIS  46   2.999  -2.275   7.214
  376    HD2  HIS  46           HD2      HIS  46   1.972  -6.163   6.142
  377    HE1  HIS  46           HE1      HIS  46   4.049  -3.765   8.953
  378    HE2  HIS  46           HE2      HIS  46   3.569  -6.109   8.173
  379    H    LEU  47           H        LEU  47   1.287  -6.773   3.424
  380    HA   LEU  47           HA       LEU  47  -1.411  -7.248   4.447
  381    HB2  LEU  47           HB2      LEU  47   0.542  -9.134   3.104
  382    HB3  LEU  47           HB3      LEU  47  -1.077  -9.565   3.619
  383    HG   LEU  47           HG       LEU  47  -1.849  -7.678   2.016
  384   HD11  LEU  47          HD11      LEU  47   0.350  -6.714   1.590
  385   HD12  LEU  47          HD12      LEU  47  -0.383  -7.319   0.102
  386   HD13  LEU  47          HD13      LEU  47   0.893  -8.244   0.895
  387   HD21  LEU  47          HD21      LEU  47  -1.881  -9.249   0.143
  388   HD22  LEU  47          HD22      LEU  47  -2.301 -10.035   1.664
  389   HD23  LEU  47          HD23      LEU  47  -0.696 -10.257   0.971
  390    H    ALA  48           H        ALA  48  -1.638  -9.186   5.957
  391    HA   ALA  48           HA       ALA  48  -0.019  -8.477   8.221
  392    HB1  ALA  48           HB1      ALA  48  -2.147 -10.597   8.003
  393    HB2  ALA  48           HB2      ALA  48  -2.420  -8.911   8.438
  394    HB3  ALA  48           HB3      ALA  48  -1.462  -9.949   9.492
  395    H    GLN  49           H        GLN  49   0.346 -10.735   5.772
  396    HA   GLN  49           HA       GLN  49   2.169 -12.312   7.443
  397    HB2  GLN  49           HB2      GLN  49   1.497 -14.050   5.426
  398    HB3  GLN  49           HB3      GLN  49   0.839 -14.066   7.052
  399    HG2  GLN  49           HG2      GLN  49  -0.989 -14.201   5.560
  400    HG3  GLN  49           HG3      GLN  49  -0.998 -12.573   6.234
  401   HE21  GLN  49          HE21      GLN  49  -2.133 -11.664   4.571
  402   HE22  GLN  49          HE22      GLN  49  -1.480 -11.475   2.977
  403    H    ARG  50           H        ARG  50   2.159 -10.071   5.136
  404    HA   ARG  50           HA       ARG  50   4.817 -10.513   4.346
  405    HB2  ARG  50           HB2      ARG  50   4.634 -11.151   2.056
  406    HB3  ARG  50           HB3      ARG  50   3.671 -12.300   2.972
  407    HG2  ARG  50           HG2      ARG  50   1.709 -10.677   2.387
  408    HG3  ARG  50           HG3      ARG  50   2.794 -10.156   1.098
  409    HD2  ARG  50           HD2      ARG  50   1.669 -12.899   1.589
  410    HD3  ARG  50           HD3      ARG  50   1.419 -11.859   0.190
  411    HE   ARG  50           HE       ARG  50   4.165 -12.669   0.655
  412   HH11  ARG  50          HH11      ARG  50   1.158 -13.344  -1.012
  413   HH12  ARG  50          HH12      ARG  50   1.894 -14.373  -2.198
  414   HH21  ARG  50          HH21      ARG  50   5.139 -14.038  -0.887
  415   HH22  ARG  50          HH22      ARG  50   4.162 -14.778  -2.126
  416    H    SER  51           H        SER  51   5.665  -8.715   3.250
  417    HA   SER  51           HA       SER  51   3.734  -6.545   2.765
  418    HB2  SER  51           HB2      SER  51   6.606  -6.280   3.708
  419    HB3  SER  51           HB3      SER  51   5.470  -4.956   3.447
  420    HG   SER  51           HG       SER  51   5.756  -5.814   5.679
  421    H    ILE  52           H        ILE  52   3.729  -5.659   0.808
  422    HA   ILE  52           HA       ILE  52   5.820  -6.522  -1.074
  423    HB   ILE  52           HB       ILE  52   2.933  -5.809  -1.634
  424   HG12  ILE  52          HG12      ILE  52   4.368  -8.472  -1.770
  425   HG13  ILE  52          HG13      ILE  52   3.270  -7.984  -0.484
  426   HG21  ILE  52          HG21      ILE  52   4.420  -5.181  -3.480
  427   HG22  ILE  52          HG22      ILE  52   3.378  -6.533  -3.922
  428   HG23  ILE  52          HG23      ILE  52   5.068  -6.820  -3.511
  429   HD11  ILE  52          HD11      ILE  52   2.543  -8.339  -3.381
  430   HD12  ILE  52          HD12      ILE  52   1.441  -7.878  -2.083
  431   HD13  ILE  52          HD13      ILE  52   2.195  -9.472  -2.077
  432    H    CYS  53           H        CYS  53   6.830  -4.993  -2.331
  433    HA   CYS  53           HA       CYS  53   6.393  -2.226  -1.464
  434    HB2  CYS  53           HB2      CYS  53   8.801  -3.465  -2.812
  435    HB3  CYS  53           HB3      CYS  53   8.693  -1.824  -2.182
  436    H    ILE  54           H        ILE  54   5.511  -0.830  -2.813
  437    HA   ILE  54           HA       ILE  54   5.550  -1.444  -5.692
  438    HB   ILE  54           HB       ILE  54   3.341  -1.698  -4.211
  439   HG12  ILE  54          HG12      ILE  54   3.328  -0.453  -6.965
  440   HG13  ILE  54          HG13      ILE  54   3.589  -2.163  -6.632
  441   HG21  ILE  54          HG21      ILE  54   3.348   0.604  -3.406
  442   HG22  ILE  54          HG22      ILE  54   1.912   0.263  -4.376
  443   HG23  ILE  54          HG23      ILE  54   3.244   1.184  -5.072
  444   HD11  ILE  54          HD11      ILE  54   1.095  -0.577  -6.082
  445   HD12  ILE  54          HD12      ILE  54   1.346  -2.251  -5.592
  446   HD13  ILE  54          HD13      ILE  54   1.317  -1.829  -7.306
  447    H    HIS  55           H        HIS  55   5.596   0.381  -7.101
  448    HA   HIS  55           HA       HIS  55   6.890   2.683  -5.848
  449    HB2  HIS  55           HB2      HIS  55   7.907   1.449  -7.819
  450    HB3  HIS  55           HB3      HIS  55   6.596   2.101  -8.803
  451    HD1  HIS  55           HD1      HIS  55   7.067   4.286  -9.882
  452    HD2  HIS  55           HD2      HIS  55   9.545   3.603  -6.619
  453    HE1  HIS  55           HE1      HIS  55   8.632   6.245  -9.808
  454    HE2  HIS  55           HE2      HIS  55  10.248   5.715  -7.936
  455    HA   PRO  56           HA       PRO  56   3.372   5.335  -5.661
  456    HB2  PRO  56           HB2      PRO  56   5.240   7.212  -7.059
  457    HB3  PRO  56           HB3      PRO  56   4.166   7.513  -5.687
  458    HG2  PRO  56           HG2      PRO  56   6.771   7.086  -5.318
  459    HG3  PRO  56           HG3      PRO  56   5.565   6.455  -4.185
  460    HD2  PRO  56           HD2      PRO  56   7.239   5.018  -6.146
  461    HD3  PRO  56           HD3      PRO  56   6.465   4.422  -4.665
  462    H    GLN  57           H        GLN  57   5.111   5.284  -8.773
  463    HA   GLN  57           HA       GLN  57   3.003   6.532 -10.214
  464    HB2  GLN  57           HB2      GLN  57   4.564   6.751 -11.781
  465    HB3  GLN  57           HB3      GLN  57   5.670   5.939 -10.694
  466    HG2  GLN  57           HG2      GLN  57   3.974   4.405 -12.633
  467    HG3  GLN  57           HG3      GLN  57   5.501   5.132 -13.116
  468   HE21  GLN  57          HE21      GLN  57   4.782   3.618 -10.000
  469   HE22  GLN  57          HE22      GLN  57   5.874   2.293 -10.199
  470    H    ASN  58           H        ASN  58   3.137   3.525  -8.920
  471    HA   ASN  58           HA       ASN  58   2.188   1.864 -11.005
  472    HB2  ASN  58           HB2      ASN  58   2.504   1.668  -8.071
  473    HB3  ASN  58           HB3      ASN  58   1.279   0.622  -8.777
  474   HD21  ASN  58          HD21      ASN  58   1.869  -1.108  -9.920
  475   HD22  ASN  58          HD22      ASN  58   3.506  -1.603 -10.182
  476    HA   PRO  59           HA       PRO  59  -2.073   3.368 -11.098
  477    HB2  PRO  59           HB2      PRO  59  -2.865   1.393 -12.863
  478    HB3  PRO  59           HB3      PRO  59  -2.184   2.949 -13.349
  479    HG2  PRO  59           HG2      PRO  59  -0.854   0.286 -13.114
  480    HG3  PRO  59           HG3      PRO  59  -0.634   1.546 -14.341
  481    HD2  PRO  59           HD2      PRO  59   1.137   1.171 -12.353
  482    HD3  PRO  59           HD3      PRO  59   0.774   2.789 -12.990
  483    H    SER  60           H        SER  60  -0.739   0.237 -10.452
  484    HA   SER  60           HA       SER  60  -2.943  -1.182  -9.514
  485    HB2  SER  60           HB2      SER  60  -0.372  -1.436  -8.042
  486    HB3  SER  60           HB3      SER  60  -1.372  -2.689  -8.783
  487    HG   SER  60           HG       SER  60  -0.444  -2.327 -10.712
  488    H    LEU  61           H        LEU  61  -0.893   1.225  -7.978
  489    HA   LEU  61           HA       LEU  61  -2.039   0.864  -5.367
  490    HB2  LEU  61           HB2      LEU  61   0.302   1.554  -5.739
  491    HB3  LEU  61           HB3      LEU  61  -0.264   3.049  -6.455
  492    HG   LEU  61           HG       LEU  61  -1.308   3.629  -4.251
  493   HD11  LEU  61          HD11      LEU  61  -1.500   1.393  -3.293
  494   HD12  LEU  61          HD12      LEU  61  -0.500   2.415  -2.256
  495   HD13  LEU  61          HD13      LEU  61   0.254   1.226  -3.314
  496   HD21  LEU  61          HD21      LEU  61   0.866   4.478  -4.996
  497   HD22  LEU  61          HD22      LEU  61   1.645   3.089  -4.231
  498   HD23  LEU  61          HD23      LEU  61   0.791   4.275  -3.243
  499    H    SER  62           H        SER  62  -2.363   3.158  -8.047
  500    HA   SER  62           HA       SER  62  -4.201   4.916  -6.909
  501    HB2  SER  62           HB2      SER  62  -4.342   3.903  -9.755
  502    HB3  SER  62           HB3      SER  62  -4.824   5.487  -9.147
  503    HG   SER  62           HG       SER  62  -2.861   5.819 -10.042
  504    H    GLN  63           H        GLN  63  -4.717   1.856  -8.639
  505    HA   GLN  63           HA       GLN  63  -7.483   1.634  -8.230
  506    HB2  GLN  63           HB2      GLN  63  -5.405  -0.559  -8.426
  507    HB3  GLN  63           HB3      GLN  63  -7.141  -0.804  -8.542
  508    HG2  GLN  63           HG2      GLN  63  -7.225   0.521 -10.566
  509    HG3  GLN  63           HG3      GLN  63  -5.505   0.877 -10.430
  510   HE21  GLN  63          HE21      GLN  63  -6.900  -2.266  -9.734
  511   HE22  GLN  63          HE22      GLN  63  -6.195  -3.085 -11.081
  512    H    TRP  64           H        TRP  64  -4.725   0.599  -6.266
  513    HA   TRP  64           HA       TRP  64  -6.161  -0.786  -4.327
  514    HB2  TRP  64           HB2      TRP  64  -3.735  -0.989  -4.504
  515    HB3  TRP  64           HB3      TRP  64  -3.540   0.691  -4.021
  516    HD1  TRP  64           HD1      TRP  64  -2.381   0.498  -1.704
  517    HE1  TRP  64           HE1      TRP  64  -2.954  -0.653   0.515
  518    HE3  TRP  64           HE3      TRP  64  -6.428  -2.265  -3.208
  519    HZ2  TRP  64           HZ2      TRP  64  -4.858  -2.488   1.503
  520    HZ3  TRP  64           HZ3      TRP  64  -7.553  -3.679  -1.564
  521    HH2  TRP  64           HH2      TRP  64  -6.784  -3.790   0.738
  522    H    PHE  65           H        PHE  65  -5.176   2.647  -4.318
  523    HA   PHE  65           HA       PHE  65  -6.185   3.297  -1.821
  524    HB2  PHE  65           HB2      PHE  65  -5.683   4.840  -4.311
  525    HB3  PHE  65           HB3      PHE  65  -6.663   5.608  -3.065
  526    HD1  PHE  65           HD2      PHE  65  -3.448   3.742  -3.427
  527    HD2  PHE  65           HD1      PHE  65  -5.613   6.810  -1.431
  528    HE1  PHE  65           HE2      PHE  65  -1.415   4.365  -2.191
  529    HE2  PHE  65           HE1      PHE  65  -3.586   7.438  -0.188
  530    HZ   PHE  65           HZ       PHE  65  -1.482   6.215  -0.568
  531    H    GLU  66           H        GLU  66  -7.927   3.068  -4.897
  532    HA   GLU  66           HA       GLU  66 -10.408   3.917  -3.726
  533    HB2  GLU  66           HB2      GLU  66 -10.018   2.403  -6.313
  534    HB3  GLU  66           HB3      GLU  66 -11.407   3.377  -5.852
  535    HG2  GLU  66           HG2      GLU  66  -9.700   5.312  -5.703
  536    HG3  GLU  66           HG3      GLU  66  -8.672   4.255  -6.666
  537    H    HIS  67           H        HIS  67  -8.926   0.816  -4.538
  538    HA   HIS  67           HA       HIS  67 -11.193  -0.779  -3.928
  539    HB2  HIS  67           HB2      HIS  67  -8.260  -1.430  -4.180
  540    HB3  HIS  67           HB3      HIS  67  -9.455  -2.652  -3.763
  541    HD1  HIS  67           HD1      HIS  67  -9.257  -4.016  -5.917
  542    HD2  HIS  67           HD2      HIS  67 -10.108   0.008  -6.581
  543    HE1  HIS  67           HE1      HIS  67  -9.775  -3.818  -8.367
  544    HE2  HIS  67           HE2      HIS  67 -10.081  -1.350  -8.777
  545    H    GLN  68           H        GLN  68  -8.354   0.187  -2.014
  546    HA   GLN  68           HA       GLN  68  -8.967  -1.374   0.257
  547    HB2  GLN  68           HB2      GLN  68  -7.409   0.056   1.470
  548    HB3  GLN  68           HB3      GLN  68  -6.745  -0.361  -0.104
  549    HG2  GLN  68           HG2      GLN  68  -7.366   1.818  -0.971
  550    HG3  GLN  68           HG3      GLN  68  -8.106   2.239   0.571
  551   HE21  GLN  68          HE21      GLN  68  -6.758   4.029   0.787
  552   HE22  GLN  68          HE22      GLN  68  -5.091   3.873   1.209
  553    H    GLU  69           H        GLU  69 -10.065   1.730  -0.876
  554    HA   GLU  69           HA       GLU  69 -11.216   2.637   1.534
  555    HB2  GLU  69           HB2      GLU  69 -10.862   4.106  -0.405
  556    HB3  GLU  69           HB3      GLU  69 -12.084   3.213  -1.303
  557    HG2  GLU  69           HG2      GLU  69 -13.788   3.912   0.276
  558    HG3  GLU  69           HG3      GLU  69 -12.576   4.771   1.226
  559    H    ARG  70           H        ARG  70 -12.281   0.325  -0.853
  560    HA   ARG  70           HA       ARG  70 -14.821   0.073   0.607
  561    HB2  ARG  70           HB2      ARG  70 -15.756  -0.995  -1.342
  562    HB3  ARG  70           HB3      ARG  70 -15.031   0.534  -1.809
  563    HG2  ARG  70           HG2      ARG  70 -13.024  -0.752  -2.582
  564    HG3  ARG  70           HG3      ARG  70 -13.943  -2.231  -2.288
  565    HD2  ARG  70           HD2      ARG  70 -15.711  -1.331  -3.811
  566    HD3  ARG  70           HD3      ARG  70 -14.619  -0.003  -4.198
  567    HE   ARG  70           HE       ARG  70 -14.010  -2.839  -4.766
  568   HH11  ARG  70          HH11      ARG  70 -13.857   0.565  -5.578
  569   HH12  ARG  70          HH12      ARG  70 -13.178   0.295  -7.160
  570   HH21  ARG  70          HH21      ARG  70 -13.105  -3.212  -6.839
  571   HH22  ARG  70          HH22      ARG  70 -12.773  -1.862  -7.881
  572    H    LYS  71           H        LYS  71 -11.914  -1.156   0.870
  573    HA   LYS  71           HA       LYS  71 -12.921  -3.827   1.611
  574    HB2  LYS  71           HB2      LYS  71 -10.183  -3.090   0.563
  575    HB3  LYS  71           HB3      LYS  71 -10.596  -4.662   1.232
  576    HG2  LYS  71           HG2      LYS  71 -12.126  -5.092  -0.536
  577    HG3  LYS  71           HG3      LYS  71 -11.951  -3.445  -1.153
  578    HD2  LYS  71           HD2      LYS  71  -9.502  -3.953  -1.450
  579    HD3  LYS  71           HD3      LYS  71  -9.895  -5.640  -1.117
  580    HE2  LYS  71           HE2      LYS  71 -11.155  -3.988  -3.284
  581    HE3  LYS  71           HE3      LYS  71  -9.784  -5.068  -3.533
  582    HZ1  LYS  71           HZ1      LYS  71 -11.595  -6.350  -4.133
  583    HZ2  LYS  71           HZ2      LYS  71 -12.587  -5.749  -2.893
  584    HZ3  LYS  71           HZ3      LYS  71 -11.338  -6.832  -2.528
  585    H    LEU  72           H        LEU  72 -10.607  -4.665   2.978
  586    HA   LEU  72           HA       LEU  72  -9.804  -4.692   5.100
  587    HB2  LEU  72           HB2      LEU  72  -9.430  -1.830   4.284
  588    HB3  LEU  72           HB3      LEU  72  -8.947  -2.372   5.877
  589    HG   LEU  72           HG       LEU  72  -7.351  -3.924   4.918
  590   HD11  LEU  72          HD11      LEU  72  -8.594  -4.523   2.892
  591   HD12  LEU  72          HD12      LEU  72  -6.940  -4.039   2.531
  592   HD13  LEU  72          HD13      LEU  72  -8.270  -2.923   2.226
  593   HD21  LEU  72          HD21      LEU  72  -5.821  -2.319   3.888
  594   HD22  LEU  72          HD22      LEU  72  -6.621  -1.640   5.306
  595   HD23  LEU  72          HD23      LEU  72  -7.155  -1.183   3.688
  596    H    HIS  73           H        HIS  73 -10.861  -1.448   5.647
  597    HA   HIS  73           HA       HIS  73 -13.313  -2.160   6.963
  598    HB2  HIS  73           HB2      HIS  73 -11.556  -2.747   8.644
  599    HB3  HIS  73           HB3      HIS  73 -11.027  -1.073   8.627
  600    HD1  HIS  73           HD1      HIS  73 -11.711  -0.166  10.831
  601    HD2  HIS  73           HD2      HIS  73 -14.722  -2.433   9.065
  602    HE1  HIS  73           HE1      HIS  73 -13.715   0.076  12.334
  603    HE2  HIS  73           HE2      HIS  73 -15.473  -1.435  11.335
  604    H    GLY  74           H        GLY  74 -11.408  -0.110   5.258
  605    HA2  GLY  74           HA2      GLY  74 -11.870   2.016   4.445
  606    HA3  GLY  74           HA3      GLY  74 -13.188   2.143   5.602
  607    H    THR  75           H        THR  75 -11.017   1.205   7.623
  608    HA   THR  75           HA       THR  75 -10.318   3.892   8.433
  609    HB   THR  75           HB       THR  75  -9.443   2.650  10.487
  610    HG1  THR  75           HG1      THR  75  -9.249   0.560  10.004
  611   HG21  THR  75          HG21      THR  75 -11.696   2.286  11.384
  612   HG22  THR  75          HG22      THR  75 -12.355   2.338   9.751
  613   HG23  THR  75          HG23      THR  75 -11.618   3.780  10.449
  614    H    LEU  76           H        LEU  76  -8.512   4.727   7.585
  615    HA   LEU  76           HA       LEU  76  -6.026   3.254   7.787
  616    HB2  LEU  76           HB2      LEU  76  -7.150   4.314   5.189
  617    HB3  LEU  76           HB3      LEU  76  -5.457   3.918   5.414
  618    HG   LEU  76           HG       LEU  76  -7.640   1.887   5.834
  619   HD11  LEU  76          HD11      LEU  76  -7.818   2.732   3.554
  620   HD12  LEU  76          HD12      LEU  76  -7.191   1.085   3.581
  621   HD13  LEU  76          HD13      LEU  76  -6.097   2.441   3.307
  622   HD21  LEU  76          HD21      LEU  76  -4.684   1.671   5.284
  623   HD22  LEU  76          HD22      LEU  76  -5.798   0.312   5.448
  624   HD23  LEU  76          HD23      LEU  76  -5.486   1.370   6.826
  625    HA   PRO  77           HA       PRO  77  -4.034   7.173   8.728
  626    HB2  PRO  77           HB2      PRO  77  -2.688   6.550   6.185
  627    HB3  PRO  77           HB3      PRO  77  -1.975   7.205   7.657
  628    HG2  PRO  77           HG2      PRO  77  -1.706   4.633   7.091
  629    HG3  PRO  77           HG3      PRO  77  -2.084   5.141   8.750
  630    HD2  PRO  77           HD2      PRO  77  -3.817   3.825   6.738
  631    HD3  PRO  77           HD3      PRO  77  -3.913   3.789   8.511
  632    H    LYS  78           H        LYS  78  -5.341   8.919   8.396
  633    HA   LYS  78           HA       LYS  78  -6.384   9.474   5.775
  634    HB2  LYS  78           HB2      LYS  78  -6.662  10.935   8.395
  635    HB3  LYS  78           HB3      LYS  78  -7.405  11.479   6.895
  636    HG2  LYS  78           HG2      LYS  78  -8.507   9.206   6.776
  637    HG3  LYS  78           HG3      LYS  78  -7.966   8.966   8.438
  638    HD2  LYS  78           HD2      LYS  78  -9.186  10.973   9.122
  639    HD3  LYS  78           HD3      LYS  78  -9.718  11.215   7.456
  640    HE2  LYS  78           HE2      LYS  78 -10.821   8.992   7.547
  641    HE3  LYS  78           HE3      LYS  78 -10.380   8.885   9.249
  642    HZ1  LYS  78           HZ1      LYS  78 -11.655  10.960   9.606
  643    HZ2  LYS  78           HZ2      LYS  78 -12.610   9.657   9.086
  644    HZ3  LYS  78           HZ3      LYS  78 -12.184  10.878   7.994
  645    H    LEU  79           H        LEU  79  -4.442   9.760   4.656
  646    HA   LEU  79           HA       LEU  79  -3.141  12.337   5.144
  647    HB2  LEU  79           HB2      LEU  79  -1.475  11.350   3.403
  648    HB3  LEU  79           HB3      LEU  79  -1.411  10.849   5.079
  649    HG   LEU  79           HG       LEU  79  -2.849   8.858   4.386
  650   HD11  LEU  79          HD11      LEU  79  -2.677   8.191   2.031
  651   HD12  LEU  79          HD12      LEU  79  -1.956   9.756   1.651
  652   HD13  LEU  79          HD13      LEU  79  -3.616   9.670   2.240
  653   HD21  LEU  79          HD21      LEU  79  -0.912   7.600   3.637
  654   HD22  LEU  79          HD22      LEU  79  -0.481   8.713   4.936
  655   HD23  LEU  79          HD23      LEU  79  -0.067   9.103   3.268
  656    H    ASN  80           H        ASN  80  -5.684  11.544   3.745
  657    HA   ASN  80           HA       ASN  80  -6.980  12.378   2.097
  658    HB2  ASN  80           HB2      ASN  80  -4.629  14.225   1.873
  659    HB3  ASN  80           HB3      ASN  80  -5.912  14.274   0.667
  660   HD21  ASN  80          HD21      ASN  80  -4.936  15.997   3.013
  661   HD22  ASN  80          HD22      ASN  80  -6.408  16.445   3.802
  662    H    PHE  81           H        PHE  81  -7.145  10.553   1.018
  663    HA   PHE  81           HA       PHE  81  -5.045   9.317  -0.391
  664    HB2  PHE  81           HB2      PHE  81  -7.997   8.778  -0.713
  665    HB3  PHE  81           HB3      PHE  81  -6.660   7.673  -0.988
  666    HD1  PHE  81           HD1      PHE  81  -5.334   6.831   0.944
  667    HD2  PHE  81           HD2      PHE  81  -8.938   9.039   1.439
  668    HE1  PHE  81           HE1      PHE  81  -5.513   6.011   3.255
  669    HE2  PHE  81           HE2      PHE  81  -9.123   8.224   3.754
  670    HZ   PHE  81           HZ       PHE  81  -7.409   6.709   4.664
  671    H    GLY  82           H        GLY  82  -7.272  11.758  -1.258
  672    HA2  GLY  82           HA2      GLY  82  -7.311  11.333  -4.076
  673    HA3  GLY  82           HA3      GLY  82  -7.771  12.808  -3.238
  674    H    MET  83           H        MET  83  -4.689  11.932  -2.280
  675    HA   MET  83           HA       MET  83  -3.462  14.028  -3.776
  676    HB2  MET  83           HB2      MET  83  -1.442  13.492  -2.596
  677    HB3  MET  83           HB3      MET  83  -2.775  13.377  -1.459
  678    HG2  MET  83           HG2      MET  83  -2.759  10.939  -1.710
  679    HG3  MET  83           HG3      MET  83  -1.400  11.078  -2.821
  680    HE1  MET  83           HE1      MET  83   0.366   9.565   0.295
  681    HE2  MET  83           HE2      MET  83   0.054   9.417  -1.436
  682    HE3  MET  83           HE3      MET  83  -1.258   9.184  -0.280
  683    H    LEU  84           H        LEU  84  -4.155  10.806  -4.453
  684    HA   LEU  84           HA       LEU  84  -2.695  11.003  -6.909
  685    HB2  LEU  84           HB2      LEU  84  -1.688   8.690  -6.616
  686    HB3  LEU  84           HB3      LEU  84  -0.907  10.054  -5.845
  687    HG   LEU  84           HG       LEU  84  -1.983   9.404  -3.703
  688   HD11  LEU  84          HD11      LEU  84  -3.128   7.355  -3.472
  689   HD12  LEU  84          HD12      LEU  84  -2.743   6.881  -5.128
  690   HD13  LEU  84          HD13      LEU  84  -3.861   8.213  -4.832
  691   HD21  LEU  84          HD21      LEU  84   0.286   8.718  -4.207
  692   HD22  LEU  84          HD22      LEU  84  -0.314   7.296  -5.057
  693   HD23  LEU  84          HD23      LEU  84  -0.553   7.449  -3.316
  694    H    ARG  85           H        ARG  85  -5.260   9.579  -5.084
  695    HA   ARG  85           HA       ARG  85  -5.911   7.690  -7.135
  696    HB2  ARG  85           HB2      ARG  85  -7.904   7.159  -5.927
  697    HB3  ARG  85           HB3      ARG  85  -6.608   7.345  -4.755
  698    HG2  ARG  85           HG2      ARG  85  -7.412   9.427  -4.045
  699    HG3  ARG  85           HG3      ARG  85  -8.498   9.561  -5.427
  700    HD2  ARG  85           HD2      ARG  85  -8.722   7.502  -3.234
  701    HD3  ARG  85           HD3      ARG  85  -9.680   8.980  -3.333
  702    HE   ARG  85           HE       ARG  85  -9.942   7.487  -5.722
  703   HH11  ARG  85          HH11      ARG  85 -10.930   7.429  -2.363
  704   HH12  ARG  85          HH12      ARG  85 -12.392   6.537  -2.678
  705   HH21  ARG  85          HH21      ARG  85 -11.848   6.299  -6.142
  706   HH22  ARG  85          HH22      ARG  85 -12.910   5.893  -4.815
  707    H    LYS  86           H        LYS  86  -7.170   7.897  -8.852
  708    HA   LYS  86           HA       LYS  86  -8.477   8.793 -10.468
  709    HB2  LYS  86           HB2      LYS  86  -9.240  10.885  -8.429
  710    HB3  LYS  86           HB3      LYS  86 -10.028  10.631  -9.981
  711    HG2  LYS  86           HG2      LYS  86 -10.667   8.364  -9.254
  712    HG3  LYS  86           HG3      LYS  86  -9.930   8.684  -7.684
  713    HD2  LYS  86           HD2      LYS  86 -12.284   9.042  -7.475
  714    HD3  LYS  86           HD3      LYS  86 -11.493  10.618  -7.428
  715    HE2  LYS  86           HE2      LYS  86 -12.047  10.967  -9.781
  716    HE3  LYS  86           HE3      LYS  86 -12.813   9.381  -9.843
  717    HZ1  LYS  86           HZ1      LYS  86 -13.688  11.728  -8.249
  718    HZ2  LYS  86           HZ2      LYS  86 -14.360  10.181  -8.098
  719    HZ3  LYS  86           HZ3      LYS  86 -14.494  11.020  -9.563
  720    H    MET  87           H        MET  87  -6.386  10.887  -8.676
  721    HA   MET  87           HA       MET  87  -5.874  12.767 -10.747
  722    HB2  MET  87           HB2      MET  87  -5.405  13.288  -8.412
  723    HB3  MET  87           HB3      MET  87  -4.264  11.952  -8.319
  724    HG2  MET  87           HG2      MET  87  -2.837  13.087  -9.967
  725    HG3  MET  87           HG3      MET  87  -3.974  14.434 -10.003
  726    HE1  MET  87           HE1      MET  87  -4.442  16.031  -7.882
  727    HE2  MET  87           HE2      MET  87  -3.713  15.753  -6.301
  728    HE3  MET  87           HE3      MET  87  -4.851  14.581  -6.966
  729    H    GLY  88           H        GLY  88  -4.289   9.864  -9.576
  730    HA2  GLY  88           HA2      GLY  88  -2.844   9.671 -12.141
  731    HA3  GLY  88           HA3      GLY  88  -2.123   9.196 -10.606
  Start of MODEL   18
    1    H1   PHE   1           HT1      PHE   1  11.874 -13.133   2.664
    2    H2   PHE   1           HT2      PHE   1  11.620 -13.342   4.328
    3    H3   PHE   1           HT3      PHE   1  13.177 -13.527   3.681
    4    HA   PHE   1           HA       PHE   1  12.956 -11.430   4.829
    5    HB2  PHE   1           HB2      PHE   1  14.457 -11.587   2.871
    6    HB3  PHE   1           HB3      PHE   1  13.125 -11.118   1.821
    7    HD1  PHE   1           HD2      PHE   1  15.222  -9.944   4.644
    8    HD2  PHE   1           HD1      PHE   1  12.655  -8.864   1.426
    9    HE1  PHE   1           HE2      PHE   1  15.806  -7.578   4.975
   10    HE2  PHE   1           HE1      PHE   1  13.235  -6.495   1.755
   11    HZ   PHE   1           HZ       PHE   1  14.813  -5.851   3.530
   12    H    LEU   2           H        LEU   2  11.350 -10.383   5.695
   13    HA   LEU   2           HA       LEU   2   9.248  -9.327   3.928
   14    HB2  LEU   2           HB2      LEU   2   7.729  -9.342   5.843
   15    HB3  LEU   2           HB3      LEU   2   8.330 -10.953   5.507
   16    HG   LEU   2           HG       LEU   2  10.092 -10.288   7.390
   17   HD11  LEU   2          HD11      LEU   2   9.049  -8.983   9.154
   18   HD12  LEU   2          HD12      LEU   2   7.661  -8.668   8.115
   19   HD13  LEU   2          HD13      LEU   2   9.247  -8.026   7.687
   20   HD21  LEU   2          HD21      LEU   2   8.632 -11.404   9.016
   21   HD22  LEU   2          HD22      LEU   2   8.628 -12.224   7.455
   22   HD23  LEU   2          HD23      LEU   2   7.269 -11.201   7.917
   23    H    LEU   3           H        LEU   3   8.724  -7.147   4.148
   24    HA   LEU   3           HA       LEU   3  10.747  -5.490   5.301
   25    HB2  LEU   3           HB2      LEU   3   8.126  -4.926   3.942
   26    HB3  LEU   3           HB3      LEU   3   9.053  -3.643   4.692
   27    HG   LEU   3           HG       LEU   3   9.512  -3.655   2.340
   28   HD11  LEU   3          HD11      LEU   3  11.821  -4.829   3.874
   29   HD12  LEU   3          HD12      LEU   3  11.382  -3.122   3.790
   30   HD13  LEU   3          HD13      LEU   3  11.941  -3.963   2.342
   31   HD21  LEU   3          HD21      LEU   3   8.883  -5.974   1.859
   32   HD22  LEU   3          HD22      LEU   3  10.360  -6.529   2.648
   33   HD23  LEU   3          HD23      LEU   3  10.456  -5.565   1.175
   34    HA   PRO   4           HA       PRO   4   9.104  -5.841   9.422
   35    HB2  PRO   4           HB2      PRO   4  10.840  -3.448   9.773
   36    HB3  PRO   4           HB3      PRO   4  10.779  -4.942  10.713
   37    HG2  PRO   4           HG2      PRO   4  12.768  -4.492   9.001
   38    HG3  PRO   4           HG3      PRO   4  12.068  -6.112   9.181
   39    HD2  PRO   4           HD2      PRO   4  11.676  -4.107   7.006
   40    HD3  PRO   4           HD3      PRO   4  11.774  -5.878   6.908
   41    HA   PRO   5           HA       PRO   5   5.724  -2.964   9.403
   42    HB2  PRO   5           HB2      PRO   5   6.026  -3.156  12.362
   43    HB3  PRO   5           HB3      PRO   5   4.588  -3.392  11.361
   44    HG2  PRO   5           HG2      PRO   5   5.847  -5.480  12.408
   45    HG3  PRO   5           HG3      PRO   5   5.210  -5.552  10.753
   46    HD2  PRO   5           HD2      PRO   5   8.024  -5.182  11.690
   47    HD3  PRO   5           HD3      PRO   5   7.410  -6.109  10.306
   48    H    SER   6           H        SER   6   5.914  -0.877   9.043
   49    HA   SER   6           HA       SER   6   6.575   1.286   9.106
   50    HB2  SER   6           HB2      SER   6   6.973   0.710  12.052
   51    HB3  SER   6           HB3      SER   6   6.914   2.314  11.321
   52    HG   SER   6           HG       SER   6   4.818   2.191  11.247
   53    H    THR   7           H        THR   7   8.512  -0.827   8.599
   54    HA   THR   7           HA       THR   7  10.916   0.799   8.891
   55    HB   THR   7           HB       THR   7  11.079  -2.171   9.385
   56    HG1  THR   7           HG1      THR   7   9.666  -0.921  10.954
   57   HG21  THR   7          HG21      THR   7  13.151  -0.947   8.868
   58   HG22  THR   7          HG22      THR   7  13.163  -1.581  10.515
   59   HG23  THR   7          HG23      THR   7  12.846   0.131  10.230
   60    H    ALA   8           H        ALA   8   9.109   0.334   6.775
   61    HA   ALA   8           HA       ALA   8  10.214  -1.732   5.075
   62    HB1  ALA   8           HB1      ALA   8   8.414  -1.184   3.550
   63    HB2  ALA   8           HB2      ALA   8   8.003   0.235   4.514
   64    HB3  ALA   8           HB3      ALA   8   7.788  -1.380   5.187
   65    H    CYS   9           H        CYS   9  12.298  -0.915   4.743
   66    HA   CYS   9           HA       CYS   9  12.465   1.390   2.952
   67    HB2  CYS   9           HB2      CYS   9  13.955   1.565   4.853
   68    HB3  CYS   9           HB3      CYS   9  14.591  -0.046   4.558
   69    H    CYS  10           H        CYS  10  11.723   0.420   1.118
   70    HA   CYS  10           HA       CYS  10  12.803  -2.144   0.291
   71    HB2  CYS  10           HB2      CYS  10  10.742  -0.356  -1.016
   72    HB3  CYS  10           HB3      CYS  10  11.163  -1.979  -1.547
   73    H    THR  11           H        THR  11  14.672  -2.186  -0.754
   74    HA   THR  11           HA       THR  11  15.460  -0.046  -2.526
   75    HB   THR  11           HB       THR  11  17.389  -1.663  -3.029
   76    HG1  THR  11           HG1      THR  11  17.602  -3.292  -1.338
   77   HG21  THR  11          HG21      THR  11  16.974  -0.738  -0.177
   78   HG22  THR  11          HG22      THR  11  17.610   0.242  -1.499
   79   HG23  THR  11          HG23      THR  11  18.523  -1.148  -0.914
   80    H    GLN  12           H        GLN  12  14.391  -3.373  -2.718
   81    HA   GLN  12           HA       GLN  12  14.205  -3.290  -5.601
   82    HB2  GLN  12           HB2      GLN  12  13.113  -5.624  -5.154
   83    HB3  GLN  12           HB3      GLN  12  14.847  -5.414  -4.998
   84    HG2  GLN  12           HG2      GLN  12  14.071  -6.763  -3.195
   85    HG3  GLN  12           HG3      GLN  12  14.561  -5.208  -2.544
   86   HE21  GLN  12          HE21      GLN  12  13.003  -3.855  -1.666
   87   HE22  GLN  12          HE22      GLN  12  11.396  -4.373  -1.332
   88    H    LEU  13           H        LEU  13  12.138  -3.996  -6.640
   89    HA   LEU  13           HA       LEU  13   9.754  -3.068  -5.226
   90    HB2  LEU  13           HB2      LEU  13  10.699  -1.991  -7.887
   91    HB3  LEU  13           HB3      LEU  13   9.114  -1.697  -7.201
   92    HG   LEU  13           HG       LEU  13  11.656  -0.872  -5.811
   93   HD11  LEU  13          HD11      LEU  13  11.158   1.397  -6.672
   94   HD12  LEU  13          HD12      LEU  13   9.943   0.684  -7.734
   95   HD13  LEU  13          HD13      LEU  13  11.642   0.255  -7.926
   96   HD21  LEU  13          HD21      LEU  13  10.160   0.630  -4.603
   97   HD22  LEU  13          HD22      LEU  13   9.660  -1.051  -4.408
   98   HD23  LEU  13          HD23      LEU  13   8.786   0.008  -5.517
   99    H    TYR  14           H        TYR  14   7.907  -4.096  -5.856
  100    HA   TYR  14           HA       TYR  14   8.225  -6.389  -7.601
  101    HB2  TYR  14           HB2      TYR  14   6.967  -6.620  -5.508
  102    HB3  TYR  14           HB3      TYR  14   5.825  -5.392  -6.040
  103    HD1  TYR  14           HD2      TYR  14   7.194  -8.706  -7.109
  104    HD2  TYR  14           HD1      TYR  14   3.860  -6.064  -7.049
  105    HE1  TYR  14           HE2      TYR  14   5.796 -10.454  -8.137
  106    HE2  TYR  14           HE1      TYR  14   2.458  -7.800  -8.073
  107    HH   TYR  14           HH       TYR  14   3.369 -11.039  -8.262
  108    H    ARG  15           H        ARG  15   6.377  -3.400  -7.479
  109    HA   ARG  15           HA       ARG  15   5.355  -2.111  -9.024
  110    HB2  ARG  15           HB2      ARG  15   6.673  -1.589 -10.992
  111    HB3  ARG  15           HB3      ARG  15   7.705  -1.749  -9.583
  112    HG2  ARG  15           HG2      ARG  15   8.322  -4.017 -10.332
  113    HG3  ARG  15           HG3      ARG  15   7.345  -3.778 -11.780
  114    HD2  ARG  15           HD2      ARG  15   9.683  -2.059 -10.962
  115    HD3  ARG  15           HD3      ARG  15   9.757  -3.368 -12.141
  116    HE   ARG  15           HE       ARG  15   7.739  -1.605 -12.936
  117   HH11  ARG  15          HH11      ARG  15  11.227  -1.662 -12.579
  118   HH12  ARG  15          HH12      ARG  15  11.500  -0.489 -13.838
  119   HH21  ARG  15          HH21      ARG  15   8.099  -0.057 -14.588
  120   HH22  ARG  15          HH22      ARG  15   9.722   0.431 -14.964
  121    H    LYS  16           H        LYS  16   4.365  -4.906  -9.010
  122    HA   LYS  16           HA       LYS  16   3.228  -4.880 -11.725
  123    HB2  LYS  16           HB2      LYS  16   3.923  -7.278 -10.021
  124    HB3  LYS  16           HB3      LYS  16   2.953  -7.368 -11.484
  125    HG2  LYS  16           HG2      LYS  16   4.805  -6.570 -12.808
  126    HG3  LYS  16           HG3      LYS  16   5.783  -6.350 -11.357
  127    HD2  LYS  16           HD2      LYS  16   5.698  -8.749 -10.927
  128    HD3  LYS  16           HD3      LYS  16   4.689  -8.978 -12.356
  129    HE2  LYS  16           HE2      LYS  16   7.475  -7.824 -12.397
  130    HE3  LYS  16           HE3      LYS  16   7.092  -9.514 -12.717
  131    HZ1  LYS  16           HZ1      LYS  16   6.021  -7.221 -14.274
  132    HZ2  LYS  16           HZ2      LYS  16   5.797  -8.863 -14.611
  133    HZ3  LYS  16           HZ3      LYS  16   7.341  -8.175 -14.749
  134    HA   PRO  17           HA       PRO  17  -0.767  -4.337 -10.013
  135    HB2  PRO  17           HB2      PRO  17  -1.655  -6.468 -11.886
  136    HB3  PRO  17           HB3      PRO  17  -2.264  -4.820 -11.680
  137    HG2  PRO  17           HG2      PRO  17  -0.746  -5.439 -13.768
  138    HG3  PRO  17           HG3      PRO  17  -0.535  -3.890 -12.927
  139    HD2  PRO  17           HD2      PRO  17   1.125  -6.377 -12.772
  140    HD3  PRO  17           HD3      PRO  17   1.639  -4.677 -12.785
  141    H    LEU  18           H        LEU  18  -1.455  -5.037  -8.134
  142    HA   LEU  18           HA       LEU  18  -1.248  -7.864  -7.441
  143    HB2  LEU  18           HB2      LEU  18  -1.991  -5.460  -5.767
  144    HB3  LEU  18           HB3      LEU  18  -1.817  -7.095  -5.161
  145    HG   LEU  18           HG       LEU  18   0.390  -5.396  -6.328
  146   HD11  LEU  18          HD11      LEU  18  -0.142  -6.312  -3.503
  147   HD12  LEU  18          HD12      LEU  18  -0.292  -4.663  -4.112
  148   HD13  LEU  18          HD13      LEU  18   1.291  -5.438  -4.048
  149   HD21  LEU  18          HD21      LEU  18   0.471  -8.177  -5.164
  150   HD22  LEU  18          HD22      LEU  18   1.871  -7.221  -5.657
  151   HD23  LEU  18          HD23      LEU  18   0.696  -7.751  -6.860
  152    H    SER  19           H        SER  19  -3.022  -9.080  -6.713
  153    HA   SER  19           HA       SER  19  -5.541  -8.315  -7.935
  154    HB2  SER  19           HB2      SER  19  -4.851 -10.896  -6.521
  155    HB3  SER  19           HB3      SER  19  -6.177 -10.618  -7.649
  156    HG   SER  19           HG       SER  19  -4.032  -9.910  -8.958
  157    H    ASP  20           H        ASP  20  -7.540  -8.299  -6.816
  158    HA   ASP  20           HA       ASP  20  -7.543  -7.088  -4.293
  159    HB2  ASP  20           HB2      ASP  20  -9.711  -8.446  -5.867
  160    HB3  ASP  20           HB3      ASP  20 -10.016  -7.774  -4.270
  161    H    LYS  21           H        LYS  21  -7.647 -10.449  -5.206
  162    HA   LYS  21           HA       LYS  21  -8.600 -11.631  -2.881
  163    HB2  LYS  21           HB2      LYS  21  -6.338 -12.633  -4.622
  164    HB3  LYS  21           HB3      LYS  21  -7.301 -13.606  -3.521
  165    HG2  LYS  21           HG2      LYS  21  -9.263 -13.273  -4.878
  166    HG3  LYS  21           HG3      LYS  21  -8.377 -12.171  -5.938
  167    HD2  LYS  21           HD2      LYS  21  -6.855 -13.994  -6.543
  168    HD3  LYS  21           HD3      LYS  21  -7.765 -15.094  -5.507
  169    HE2  LYS  21           HE2      LYS  21  -8.915 -13.611  -7.867
  170    HE3  LYS  21           HE3      LYS  21  -8.342 -15.277  -7.916
  171    HZ1  LYS  21           HZ1      LYS  21 -10.774 -15.058  -7.620
  172    HZ2  LYS  21           HZ2      LYS  21 -10.505 -14.318  -6.117
  173    HZ3  LYS  21           HZ3      LYS  21 -10.024 -15.923  -6.370
  174    H    LEU  22           H        LEU  22  -5.244 -10.799  -3.720
  175    HA   LEU  22           HA       LEU  22  -4.314 -11.329  -1.067
  176    HB2  LEU  22           HB2      LEU  22  -2.163 -10.621  -1.810
  177    HB3  LEU  22           HB3      LEU  22  -2.880 -11.624  -3.048
  178    HG   LEU  22           HG       LEU  22  -3.547  -9.307  -4.107
  179   HD11  LEU  22          HD11      LEU  22  -1.160  -8.600  -2.407
  180   HD12  LEU  22          HD12      LEU  22  -2.780  -7.912  -2.287
  181   HD13  LEU  22          HD13      LEU  22  -1.801  -7.620  -3.725
  182   HD21  LEU  22          HD21      LEU  22  -0.767 -10.471  -4.174
  183   HD22  LEU  22          HD22      LEU  22  -1.432  -9.352  -5.363
  184   HD23  LEU  22          HD23      LEU  22  -2.136 -10.959  -5.173
  185    H    LEU  23           H        LEU  23  -5.467  -8.581  -2.808
  186    HA   LEU  23           HA       LEU  23  -4.241  -6.536  -1.337
  187    HB2  LEU  23           HB2      LEU  23  -5.856  -6.777  -3.570
  188    HB3  LEU  23           HB3      LEU  23  -6.836  -5.844  -2.455
  189    HG   LEU  23           HG       LEU  23  -5.241  -4.085  -2.378
  190   HD11  LEU  23          HD11      LEU  23  -3.177  -5.283  -2.229
  191   HD12  LEU  23          HD12      LEU  23  -3.095  -4.230  -3.640
  192   HD13  LEU  23          HD13      LEU  23  -3.392  -5.954  -3.844
  193   HD21  LEU  23          HD21      LEU  23  -5.036  -3.459  -4.744
  194   HD22  LEU  23          HD22      LEU  23  -6.638  -4.089  -4.362
  195   HD23  LEU  23          HD23      LEU  23  -5.469  -5.104  -5.207
  196    H    ARG  24           H        ARG  24  -7.304  -8.218  -0.848
  197    HA   ARG  24           HA       ARG  24  -8.346  -6.472   1.119
  198    HB2  ARG  24           HB2      ARG  24  -9.825  -8.357   1.724
  199    HB3  ARG  24           HB3      ARG  24  -9.786  -8.055  -0.008
  200    HG2  ARG  24           HG2      ARG  24  -8.406  -9.949  -0.394
  201    HG3  ARG  24           HG3      ARG  24  -8.117 -10.167   1.334
  202    HD2  ARG  24           HD2      ARG  24 -10.840 -10.345   0.071
  203    HD3  ARG  24           HD3      ARG  24  -9.790 -11.739   0.304
  204    HE   ARG  24           HE       ARG  24  -9.861 -10.984   2.769
  205   HH11  ARG  24          HH11      ARG  24 -12.513 -10.619   0.499
  206   HH12  ARG  24          HH12      ARG  24 -13.738 -10.825   1.714
  207   HH21  ARG  24          HH21      ARG  24 -11.477 -11.225   4.364
  208   HH22  ARG  24          HH22      ARG  24 -13.155 -11.174   3.909
  209    H    LYS  25           H        LYS  25  -5.708  -8.519   1.246
  210    HA   LYS  25           HA       LYS  25  -5.962  -9.082   4.100
  211    HB2  LYS  25           HB2      LYS  25  -4.067 -10.112   2.009
  212    HB3  LYS  25           HB3      LYS  25  -3.866 -10.445   3.723
  213    HG2  LYS  25           HG2      LYS  25  -6.056 -11.529   3.766
  214    HG3  LYS  25           HG3      LYS  25  -6.240 -11.203   2.040
  215    HD2  LYS  25           HD2      LYS  25  -4.068 -12.877   3.298
  216    HD3  LYS  25           HD3      LYS  25  -5.483 -13.495   2.449
  217    HE2  LYS  25           HE2      LYS  25  -4.745 -12.269   0.437
  218    HE3  LYS  25           HE3      LYS  25  -3.273 -11.816   1.289
  219    HZ1  LYS  25           HZ1      LYS  25  -2.818 -14.228   1.555
  220    HZ2  LYS  25           HZ2      LYS  25  -2.823 -13.714  -0.061
  221    HZ3  LYS  25           HZ3      LYS  25  -4.154 -14.558   0.562
  222    H    VAL  26           H        VAL  26  -4.963  -6.580   2.356
  223    HA   VAL  26           HA       VAL  26  -2.466  -5.979   3.585
  224    HB   VAL  26           HB       VAL  26  -4.450  -4.412   1.955
  225   HG11  VAL  26          HG11      VAL  26  -1.959  -3.297   3.222
  226   HG12  VAL  26          HG12      VAL  26  -3.612  -2.889   3.669
  227   HG13  VAL  26          HG13      VAL  26  -3.004  -2.468   2.070
  228   HG21  VAL  26          HG21      VAL  26  -2.984  -5.887   0.749
  229   HG22  VAL  26          HG22      VAL  26  -1.576  -5.225   1.581
  230   HG23  VAL  26          HG23      VAL  26  -2.489  -4.219   0.455
  231    H    ILE  27           H        ILE  27  -2.101  -5.047   5.485
  232    HA   ILE  27           HA       ILE  27  -4.458  -4.311   7.081
  233    HB   ILE  27           HB       ILE  27  -2.960  -4.600   9.065
  234   HG12  ILE  27          HG12      ILE  27  -1.087  -5.783   6.997
  235   HG13  ILE  27          HG13      ILE  27  -0.789  -4.343   7.963
  236   HG21  ILE  27          HG21      ILE  27  -3.072  -7.045   9.031
  237   HG22  ILE  27          HG22      ILE  27  -3.342  -7.006   7.287
  238   HG23  ILE  27          HG23      ILE  27  -4.543  -6.315   8.382
  239   HD11  ILE  27          HD11      ILE  27  -0.779  -5.712   9.988
  240   HD12  ILE  27          HD12      ILE  27   0.435  -6.248   8.826
  241   HD13  ILE  27          HD13      ILE  27  -1.069  -7.151   9.009
  242    H    GLN  28           H        GLN  28  -1.474  -3.135   5.779
  243    HA   GLN  28           HA       GLN  28  -2.086  -0.479   6.849
  244    HB2  GLN  28           HB2      GLN  28   0.695  -1.672   6.830
  245    HB3  GLN  28           HB3      GLN  28   0.266  -0.050   7.350
  246    HG2  GLN  28           HG2      GLN  28  -0.630  -2.598   8.675
  247    HG3  GLN  28           HG3      GLN  28   0.694  -1.572   9.219
  248   HE21  GLN  28          HE21      GLN  28  -0.738   0.900   8.558
  249   HE22  GLN  28          HE22      GLN  28  -1.937   1.093   9.793
  250    H    VAL  29           H        VAL  29  -1.978   1.061   5.337
  251    HA   VAL  29           HA       VAL  29  -0.455   0.531   2.869
  252    HB   VAL  29           HB       VAL  29  -2.552   2.669   3.334
  253   HG11  VAL  29          HG11      VAL  29  -0.876   3.277   1.663
  254   HG12  VAL  29          HG12      VAL  29  -2.451   3.003   0.920
  255   HG13  VAL  29          HG13      VAL  29  -1.193   1.775   0.796
  256   HG21  VAL  29          HG21      VAL  29  -2.776   0.055   1.851
  257   HG22  VAL  29          HG22      VAL  29  -3.990   1.336   1.848
  258   HG23  VAL  29          HG23      VAL  29  -3.604   0.486   3.347
  259    H    GLU  30           H        GLU  30   1.495   1.487   2.820
  260    HA   GLU  30           HA       GLU  30   1.855   3.893   4.472
  261    HB2  GLU  30           HB2      GLU  30   4.111   3.030   5.042
  262    HB3  GLU  30           HB3      GLU  30   2.803   2.030   5.658
  263    HG2  GLU  30           HG2      GLU  30   3.156   0.661   3.487
  264    HG3  GLU  30           HG3      GLU  30   4.725   1.476   3.443
  265    H    LEU  31           H        LEU  31   3.288   5.430   3.768
  266    HA   LEU  31           HA       LEU  31   4.234   5.117   1.006
  267    HB2  LEU  31           HB2      LEU  31   2.667   6.928   1.143
  268    HB3  LEU  31           HB3      LEU  31   3.463   7.586   2.561
  269    HG   LEU  31           HG       LEU  31   5.427   8.157   1.195
  270   HD11  LEU  31          HD11      LEU  31   5.318   8.003  -1.241
  271   HD12  LEU  31          HD12      LEU  31   3.778   7.151  -1.116
  272   HD13  LEU  31          HD13      LEU  31   5.250   6.410  -0.487
  273   HD21  LEU  31          HD21      LEU  31   4.390   9.967  -0.096
  274   HD22  LEU  31          HD22      LEU  31   3.695   9.820   1.518
  275   HD23  LEU  31          HD23      LEU  31   2.815   9.204   0.120
  276    H    GLN  32           H        GLN  32   6.275   4.490   1.077
  277    HA   GLN  32           HA       GLN  32   8.144   5.322   3.070
  278    HB2  GLN  32           HB2      GLN  32   8.312   3.207   1.729
  279    HB3  GLN  32           HB3      GLN  32   8.684   4.187   0.317
  280    HG2  GLN  32           HG2      GLN  32  10.676   5.045   1.475
  281    HG3  GLN  32           HG3      GLN  32  10.315   3.981   2.835
  282   HE21  GLN  32          HE21      GLN  32   9.874   3.165  -0.541
  283   HE22  GLN  32          HE22      GLN  32  11.075   1.926  -0.578
  284    H    GLU  33           H        GLU  33   9.363   7.135   3.083
  285    HA   GLU  33           HA       GLU  33   8.910   9.005   0.878
  286    HB2  GLU  33           HB2      GLU  33   9.914   9.516   3.684
  287    HB3  GLU  33           HB3      GLU  33   9.564  10.749   2.476
  288    HG2  GLU  33           HG2      GLU  33   7.211   9.990   2.444
  289    HG3  GLU  33           HG3      GLU  33   7.590   8.858   3.740
  290    H    ALA  34           H        ALA  34  10.703  10.426   0.244
  291    HA   ALA  34           HA       ALA  34  12.873   8.815  -0.617
  292    HB1  ALA  34           HB1      ALA  34  11.963  10.628  -1.967
  293    HB2  ALA  34           HB2      ALA  34  13.693  10.844  -1.696
  294    HB3  ALA  34           HB3      ALA  34  12.528  11.804  -0.782
  295    H    ASP  35           H        ASP  35  12.400  10.532   2.230
  296    HA   ASP  35           HA       ASP  35  15.177  10.072   2.988
  297    HB2  ASP  35           HB2      ASP  35  15.027  12.450   2.314
  298    HB3  ASP  35           HB3      ASP  35  13.735  12.690   3.483
  299    H    GLY  36           H        GLY  36  11.941   9.772   3.564
  300    HA2  GLY  36           HA2      GLY  36  12.055   9.861   6.466
  301    HA3  GLY  36           HA3      GLY  36  10.637   9.512   5.487
  302    H    ASP  37           H        ASP  37  13.016   8.249   7.444
  303    HA   ASP  37           HA       ASP  37  13.429   6.174   8.268
  304    HB2  ASP  37           HB2      ASP  37  10.958   5.775   7.908
  305    HB3  ASP  37           HB3      ASP  37  11.367   5.084   6.342
  306    H    CYS  38           H        CYS  38  12.805   6.034   4.800
  307    HA   CYS  38           HA       CYS  38  15.385   4.664   4.434
  308    HB2  CYS  38           HB2      CYS  38  13.312   3.347   3.909
  309    HB3  CYS  38           HB3      CYS  38  12.941   4.531   2.665
  310    H    HIS  39           H        HIS  39  15.495   5.021   1.617
  311    HA   HIS  39           HA       HIS  39  15.777   7.949   1.491
  312    HB2  HIS  39           HB2      HIS  39  17.902   7.652   0.294
  313    HB3  HIS  39           HB3      HIS  39  17.958   6.981   1.917
  314    HD1  HIS  39           HD1      HIS  39  18.258   4.439   2.154
  315    HD2  HIS  39           HD2      HIS  39  18.084   5.758  -1.793
  316    HE1  HIS  39           HE1      HIS  39  19.001   2.487   0.747
  317    HE2  HIS  39           HE2      HIS  39  18.818   3.279  -1.645
  318    H    LEU  40           H        LEU  40  13.678   6.172   0.337
  319    HA   LEU  40           HA       LEU  40  13.637   7.470  -2.219
  320    HB2  LEU  40           HB2      LEU  40  13.420   5.495  -3.608
  321    HB3  LEU  40           HB3      LEU  40  14.969   5.509  -2.797
  322    HG   LEU  40           HG       LEU  40  13.560   3.981  -1.071
  323   HD11  LEU  40          HD11      LEU  40  12.222   2.396  -2.372
  324   HD12  LEU  40          HD12      LEU  40  12.430   3.400  -3.808
  325   HD13  LEU  40          HD13      LEU  40  11.538   4.021  -2.418
  326   HD21  LEU  40          HD21      LEU  40  15.729   3.443  -2.011
  327   HD22  LEU  40          HD22      LEU  40  14.988   3.079  -3.568
  328   HD23  LEU  40          HD23      LEU  40  14.642   2.063  -2.169
  329    H    GLN  41           H        GLN  41  11.553   7.248  -3.302
  330    HA   GLN  41           HA       GLN  41   9.486   6.985  -1.257
  331    HB2  GLN  41           HB2      GLN  41   9.610   9.101  -2.533
  332    HB3  GLN  41           HB3      GLN  41   9.315   8.207  -4.021
  333    HG2  GLN  41           HG2      GLN  41   7.132   7.499  -3.140
  334    HG3  GLN  41           HG3      GLN  41   7.427   8.447  -1.686
  335   HE21  GLN  41          HE21      GLN  41   5.642   9.725  -2.008
  336   HE22  GLN  41          HE22      GLN  41   5.554  10.926  -3.252
  337    H    ALA  42           H        ALA  42   8.002   5.450  -1.257
  338    HA   ALA  42           HA       ALA  42   7.138   4.144  -3.667
  339    HB1  ALA  42           HB1      ALA  42   8.382   2.385  -1.568
  340    HB2  ALA  42           HB2      ALA  42   9.248   2.919  -3.009
  341    HB3  ALA  42           HB3      ALA  42   7.798   1.926  -3.166
  342    H    PHE  43           H        PHE  43   5.065   3.562  -3.455
  343    HA   PHE  43           HA       PHE  43   3.810   3.654  -0.849
  344    HB2  PHE  43           HB2      PHE  43   2.778   3.250  -3.648
  345    HB3  PHE  43           HB3      PHE  43   1.753   2.993  -2.243
  346    HD1  PHE  43           HD1      PHE  43   3.551   5.479  -4.242
  347    HD2  PHE  43           HD2      PHE  43   0.962   4.818  -0.932
  348    HE1  PHE  43           HE1      PHE  43   3.023   7.883  -4.185
  349    HE2  PHE  43           HE2      PHE  43   0.429   7.221  -0.860
  350    HZ   PHE  43           HZ       PHE  43   1.459   8.759  -2.491
  351    H    VAL  44           H        VAL  44   4.195   1.935   0.384
  352    HA   VAL  44           HA       VAL  44   4.513  -0.666  -0.919
  353    HB   VAL  44           HB       VAL  44   5.379   0.265   1.824
  354   HG11  VAL  44          HG11      VAL  44   6.542  -1.871   2.010
  355   HG12  VAL  44          HG12      VAL  44   5.874  -2.382   0.461
  356   HG13  VAL  44          HG13      VAL  44   4.804  -2.119   1.837
  357   HG21  VAL  44          HG21      VAL  44   7.644   0.036   0.876
  358   HG22  VAL  44          HG22      VAL  44   6.677   1.239   0.021
  359   HG23  VAL  44          HG23      VAL  44   6.931  -0.355  -0.690
  360    H    LEU  45           H        LEU  45   3.223  -2.354  -0.471
  361    HA   LEU  45           HA       LEU  45   0.889  -1.756   1.201
  362    HB2  LEU  45           HB2      LEU  45   1.161  -3.746  -1.057
  363    HB3  LEU  45           HB3      LEU  45  -0.304  -3.422  -0.146
  364    HG   LEU  45           HG       LEU  45   1.129  -1.514  -1.991
  365   HD11  LEU  45          HD11      LEU  45  -0.959  -1.587  -3.258
  366   HD12  LEU  45          HD12      LEU  45  -1.601  -2.784  -2.130
  367   HD13  LEU  45          HD13      LEU  45  -0.210  -3.180  -3.141
  368   HD21  LEU  45          HD21      LEU  45  -0.645   0.077  -1.468
  369   HD22  LEU  45          HD22      LEU  45   0.294  -0.330  -0.030
  370   HD23  LEU  45          HD23      LEU  45  -1.303  -1.040  -0.273
  371    H    HIS  46           H        HIS  46   0.668  -2.784   3.018
  372    HA   HIS  46           HA       HIS  46   2.552  -4.990   3.539
  373    HB2  HIS  46           HB2      HIS  46   2.366  -2.623   4.840
  374    HB3  HIS  46           HB3      HIS  46   1.263  -3.592   5.810
  375    HD1  HIS  46           HD1      HIS  46   2.294  -5.501   7.228
  376    HD2  HIS  46           HD2      HIS  46   5.064  -3.300   5.050
  377    HE1  HIS  46           HE1      HIS  46   4.540  -6.157   8.137
  378    HE2  HIS  46           HE2      HIS  46   6.208  -4.948   6.685
  379    H    LEU  47           H        LEU  47   1.535  -6.899   3.354
  380    HA   LEU  47           HA       LEU  47  -1.213  -7.202   4.243
  381    HB2  LEU  47           HB2      LEU  47   0.753  -9.121   3.001
  382    HB3  LEU  47           HB3      LEU  47  -0.812  -9.629   3.597
  383    HG   LEU  47           HG       LEU  47  -1.778  -7.871   1.980
  384   HD11  LEU  47          HD11      LEU  47  -0.410  -7.410   0.017
  385   HD12  LEU  47          HD12      LEU  47   0.961  -8.221   0.772
  386   HD13  LEU  47          HD13      LEU  47   0.322  -6.735   1.472
  387   HD21  LEU  47          HD21      LEU  47  -2.018 -10.284   1.716
  388   HD22  LEU  47          HD22      LEU  47  -0.439 -10.362   0.933
  389   HD23  LEU  47          HD23      LEU  47  -1.765  -9.496   0.158
  390    H    ALA  48           H        ALA  48  -1.739  -9.015   5.689
  391    HA   ALA  48           HA       ALA  48  -0.577  -8.699   8.199
  392    HB1  ALA  48           HB1      ALA  48  -1.947 -10.586   8.870
  393    HB2  ALA  48           HB2      ALA  48  -2.175 -11.037   7.174
  394    HB3  ALA  48           HB3      ALA  48  -2.849  -9.520   7.788
  395    H    GLN  49           H        GLN  49   0.381 -10.728   5.593
  396    HA   GLN  49           HA       GLN  49   2.151 -12.253   7.366
  397    HB2  GLN  49           HB2      GLN  49   1.701 -14.156   5.652
  398    HB3  GLN  49           HB3      GLN  49   0.529 -13.836   6.924
  399    HG2  GLN  49           HG2      GLN  49   0.159 -12.367   4.404
  400    HG3  GLN  49           HG3      GLN  49  -0.131 -14.105   4.347
  401   HE21  GLN  49          HE21      GLN  49  -1.939 -11.801   4.087
  402   HE22  GLN  49          HE22      GLN  49  -3.175 -12.045   5.280
  403    H    ARG  50           H        ARG  50   2.228 -10.038   5.000
  404    HA   ARG  50           HA       ARG  50   4.830 -10.745   4.106
  405    HB2  ARG  50           HB2      ARG  50   4.378 -11.156   1.748
  406    HB3  ARG  50           HB3      ARG  50   3.560 -12.353   2.740
  407    HG2  ARG  50           HG2      ARG  50   1.479 -10.969   2.515
  408    HG3  ARG  50           HG3      ARG  50   2.345  -9.998   1.324
  409    HD2  ARG  50           HD2      ARG  50   1.772 -12.952   1.163
  410    HD3  ARG  50           HD3      ARG  50   0.999 -11.680   0.221
  411    HE   ARG  50           HE       ARG  50   3.900 -11.988  -0.027
  412   HH11  ARG  50          HH11      ARG  50   0.709 -12.479  -1.418
  413   HH12  ARG  50          HH12      ARG  50   1.323 -12.751  -3.018
  414   HH21  ARG  50          HH21      ARG  50   4.689 -12.360  -2.127
  415   HH22  ARG  50          HH22      ARG  50   3.577 -12.671  -3.429
  416    H    SER  51           H        SER  51   5.526  -9.234   2.238
  417    HA   SER  51           HA       SER  51   4.043  -6.711   2.321
  418    HB2  SER  51           HB2      SER  51   7.015  -6.882   2.869
  419    HB3  SER  51           HB3      SER  51   6.014  -5.429   2.891
  420    HG   SER  51           HG       SER  51   4.938  -7.233   4.531
  421    H    ILE  52           H        ILE  52   4.064  -5.616   0.466
  422    HA   ILE  52           HA       ILE  52   5.886  -6.535  -1.663
  423    HB   ILE  52           HB       ILE  52   2.973  -5.761  -1.943
  424   HG12  ILE  52          HG12      ILE  52   4.333  -8.427  -2.394
  425   HG13  ILE  52          HG13      ILE  52   3.409  -8.015  -0.954
  426   HG21  ILE  52          HG21      ILE  52   4.955  -6.639  -4.039
  427   HG22  ILE  52          HG22      ILE  52   4.266  -5.025  -3.869
  428   HG23  ILE  52          HG23      ILE  52   3.230  -6.384  -4.305
  429   HD11  ILE  52          HD11      ILE  52   1.403  -7.769  -2.314
  430   HD12  ILE  52          HD12      ILE  52   2.112  -9.372  -2.497
  431   HD13  ILE  52          HD13      ILE  52   2.331  -8.160  -3.759
  432    H    CYS  53           H        CYS  53   6.978  -4.929  -2.679
  433    HA   CYS  53           HA       CYS  53   6.444  -2.212  -1.712
  434    HB2  CYS  53           HB2      CYS  53   8.957  -3.261  -3.029
  435    HB3  CYS  53           HB3      CYS  53   8.761  -1.725  -2.192
  436    H    ILE  54           H        ILE  54   5.569  -0.803  -3.025
  437    HA   ILE  54           HA       ILE  54   5.882  -1.143  -5.936
  438    HB   ILE  54           HB       ILE  54   3.468  -0.345  -4.320
  439   HG12  ILE  54          HG12      ILE  54   3.901  -2.418  -6.479
  440   HG13  ILE  54          HG13      ILE  54   3.763  -2.733  -4.754
  441   HG21  ILE  54          HG21      ILE  54   3.695   1.309  -6.066
  442   HG22  ILE  54          HG22      ILE  54   2.331   0.243  -6.403
  443   HG23  ILE  54          HG23      ILE  54   3.849   0.039  -7.278
  444   HD11  ILE  54          HD11      ILE  54   1.462  -1.935  -4.787
  445   HD12  ILE  54          HD12      ILE  54   1.703  -3.261  -5.926
  446   HD13  ILE  54          HD13      ILE  54   1.603  -1.600  -6.514
  447    H    HIS  55           H        HIS  55   6.435   0.694  -7.085
  448    HA   HIS  55           HA       HIS  55   7.218   3.017  -5.525
  449    HB2  HIS  55           HB2      HIS  55   8.442   3.739  -7.412
  450    HB3  HIS  55           HB3      HIS  55   8.615   1.987  -7.422
  451    HD1  HIS  55           HD1      HIS  55   7.916   4.713  -9.607
  452    HD2  HIS  55           HD2      HIS  55   6.557   0.791  -9.301
  453    HE1  HIS  55           HE1      HIS  55   6.888   4.175 -11.835
  454    HE2  HIS  55           HE2      HIS  55   5.991   1.831 -11.608
  455    HA   PRO  56           HA       PRO  56   3.705   5.592  -6.473
  456    HB2  PRO  56           HB2      PRO  56   4.976   7.920  -7.268
  457    HB3  PRO  56           HB3      PRO  56   4.655   7.469  -5.592
  458    HG2  PRO  56           HG2      PRO  56   7.167   7.188  -7.180
  459    HG3  PRO  56           HG3      PRO  56   6.958   7.644  -5.480
  460    HD2  PRO  56           HD2      PRO  56   7.752   5.183  -6.194
  461    HD3  PRO  56           HD3      PRO  56   6.689   5.449  -4.795
  462    H    GLN  57           H        GLN  57   2.560   6.459  -8.251
  463    HA   GLN  57           HA       GLN  57   1.823   6.454 -10.384
  464    HB2  GLN  57           HB2      GLN  57   4.773   6.633 -11.004
  465    HB3  GLN  57           HB3      GLN  57   3.516   6.702 -12.232
  466    HG2  GLN  57           HG2      GLN  57   3.870   8.627  -9.946
  467    HG3  GLN  57           HG3      GLN  57   4.262   8.926 -11.641
  468   HE21  GLN  57          HE21      GLN  57   1.737   8.630  -9.290
  469   HE22  GLN  57          HE22      GLN  57   0.446   9.207 -10.297
  470    H    ASN  58           H        ASN  58   1.339   4.237  -9.480
  471    HA   ASN  58           HA       ASN  58   2.095   2.316 -11.544
  472    HB2  ASN  58           HB2      ASN  58   3.545   1.799  -9.621
  473    HB3  ASN  58           HB3      ASN  58   2.130   1.689  -8.578
  474   HD21  ASN  58          HD21      ASN  58   3.899   0.193 -11.180
  475   HD22  ASN  58          HD22      ASN  58   3.138  -1.354 -11.051
  476    HA   PRO  59           HA       PRO  59  -2.280   2.045 -11.906
  477    HB2  PRO  59           HB2      PRO  59  -2.309  -0.626 -12.761
  478    HB3  PRO  59           HB3      PRO  59  -2.192   0.804 -13.789
  479    HG2  PRO  59           HG2      PRO  59  -0.035  -0.989 -12.781
  480    HG3  PRO  59           HG3      PRO  59  -0.180  -0.171 -14.347
  481    HD2  PRO  59           HD2      PRO  59   1.490   0.742 -12.478
  482    HD3  PRO  59           HD3      PRO  59   0.554   1.866 -13.487
  483    H    SER  60           H        SER  60  -0.502  -0.427 -10.111
  484    HA   SER  60           HA       SER  60  -2.820  -1.701  -9.054
  485    HB2  SER  60           HB2      SER  60  -0.402  -2.620  -9.238
  486    HB3  SER  60           HB3      SER  60  -0.127  -1.763  -7.724
  487    HG   SER  60           HG       SER  60  -1.910  -2.961  -6.851
  488    H    LEU  61           H        LEU  61  -0.620   0.799  -7.859
  489    HA   LEU  61           HA       LEU  61  -1.730   0.860  -5.239
  490    HB2  LEU  61           HB2      LEU  61   0.560   1.796  -6.343
  491    HB3  LEU  61           HB3      LEU  61  -0.372   3.277  -6.257
  492    HG   LEU  61           HG       LEU  61   1.055   3.033  -4.302
  493   HD11  LEU  61          HD11      LEU  61  -0.606   3.325  -2.558
  494   HD12  LEU  61          HD12      LEU  61  -1.848   2.648  -3.608
  495   HD13  LEU  61          HD13      LEU  61  -1.077   4.176  -4.026
  496   HD21  LEU  61          HD21      LEU  61   1.189   0.596  -4.262
  497   HD22  LEU  61          HD22      LEU  61  -0.495   0.513  -3.741
  498   HD23  LEU  61          HD23      LEU  61   0.718   1.249  -2.691
  499    H    SER  62           H        SER  62  -2.173   2.809  -8.161
  500    HA   SER  62           HA       SER  62  -3.931   4.715  -7.124
  501    HB2  SER  62           HB2      SER  62  -2.872   4.837  -9.374
  502    HB3  SER  62           HB3      SER  62  -3.934   3.541  -9.920
  503    HG   SER  62           HG       SER  62  -5.475   4.939 -10.174
  504    H    GLN  63           H        GLN  63  -4.623   1.589  -8.682
  505    HA   GLN  63           HA       GLN  63  -7.403   1.630  -8.345
  506    HB2  GLN  63           HB2      GLN  63  -5.478  -0.696  -8.467
  507    HB3  GLN  63           HB3      GLN  63  -7.226  -0.881  -8.462
  508    HG2  GLN  63           HG2      GLN  63  -7.390   0.346 -10.547
  509    HG3  GLN  63           HG3      GLN  63  -5.645   0.615 -10.541
  510   HE21  GLN  63          HE21      GLN  63  -4.270  -1.100 -10.979
  511   HE22  GLN  63          HE22      GLN  63  -4.817  -2.578 -11.703
  512    H    TRP  64           H        TRP  64  -4.797   0.690  -6.161
  513    HA   TRP  64           HA       TRP  64  -6.505  -0.552  -4.276
  514    HB2  TRP  64           HB2      TRP  64  -4.077  -1.046  -4.409
  515    HB3  TRP  64           HB3      TRP  64  -3.742   0.563  -3.783
  516    HD1  TRP  64           HD1      TRP  64  -2.710  -0.011  -1.461
  517    HE1  TRP  64           HE1      TRP  64  -3.535  -1.234   0.633
  518    HE3  TRP  64           HE3      TRP  64  -7.086  -2.009  -3.288
  519    HZ2  TRP  64           HZ2      TRP  64  -5.716  -2.812   1.425
  520    HZ3  TRP  64           HZ3      TRP  64  -8.470  -3.349  -1.777
  521    HH2  TRP  64           HH2      TRP  64  -7.797  -3.744   0.528
  522    H    PHE  65           H        PHE  65  -5.505   2.788  -4.722
  523    HA   PHE  65           HA       PHE  65  -6.430   3.737  -2.241
  524    HB2  PHE  65           HB2      PHE  65  -5.996   4.977  -4.913
  525    HB3  PHE  65           HB3      PHE  65  -7.021   5.846  -3.770
  526    HD1  PHE  65           HD2      PHE  65  -6.089   6.349  -1.475
  527    HD2  PHE  65           HD1      PHE  65  -3.672   5.062  -4.731
  528    HE1  PHE  65           HE2      PHE  65  -4.099   7.242  -0.340
  529    HE2  PHE  65           HE1      PHE  65  -1.678   5.958  -3.605
  530    HZ   PHE  65           HZ       PHE  65  -1.887   7.061  -1.412
  531    H    GLU  66           H        GLU  66  -8.132   3.446  -5.350
  532    HA   GLU  66           HA       GLU  66 -10.683   4.144  -4.364
  533    HB2  GLU  66           HB2      GLU  66  -9.922   2.398  -6.715
  534    HB3  GLU  66           HB3      GLU  66 -11.537   3.032  -6.418
  535    HG2  GLU  66           HG2      GLU  66 -10.678   5.308  -6.630
  536    HG3  GLU  66           HG3      GLU  66  -9.064   4.667  -6.933
  537    H    HIS  67           H        HIS  67  -9.062   1.029  -4.770
  538    HA   HIS  67           HA       HIS  67 -11.324  -0.524  -4.060
  539    HB2  HIS  67           HB2      HIS  67  -8.399  -1.180  -4.320
  540    HB3  HIS  67           HB3      HIS  67  -9.568  -2.375  -3.771
  541    HD1  HIS  67           HD1      HIS  67  -9.450  -3.904  -5.785
  542    HD2  HIS  67           HD2      HIS  67 -10.315   0.052  -6.778
  543    HE1  HIS  67           HE1      HIS  67 -10.060  -3.926  -8.227
  544    HE2  HIS  67           HE2      HIS  67 -10.520  -1.519  -8.826
  545    H    GLN  68           H        GLN  68  -8.551   0.662  -2.149
  546    HA   GLN  68           HA       GLN  68  -9.118  -0.906   0.137
  547    HB2  GLN  68           HB2      GLN  68  -7.537   0.390   1.300
  548    HB3  GLN  68           HB3      GLN  68  -6.975   0.395  -0.365
  549    HG2  GLN  68           HG2      GLN  68  -8.083   2.619  -0.655
  550    HG3  GLN  68           HG3      GLN  68  -8.398   2.618   1.079
  551   HE21  GLN  68          HE21      GLN  68  -5.505   1.321  -0.397
  552   HE22  GLN  68          HE22      GLN  68  -4.424   2.515   0.231
  553    H    GLU  69           H        GLU  69 -10.293   2.165  -1.002
  554    HA   GLU  69           HA       GLU  69 -11.667   3.000   1.299
  555    HB2  GLU  69           HB2      GLU  69 -11.305   4.493  -0.562
  556    HB3  GLU  69           HB3      GLU  69 -12.226   3.455  -1.637
  557    HG2  GLU  69           HG2      GLU  69 -13.510   5.401  -1.050
  558    HG3  GLU  69           HG3      GLU  69 -14.255   3.959  -0.368
  559    H    ARG  70           H        ARG  70 -12.425   0.662  -1.180
  560    HA   ARG  70           HA       ARG  70 -14.965   0.077   0.192
  561    HB2  ARG  70           HB2      ARG  70 -15.760  -0.849  -1.940
  562    HB3  ARG  70           HB3      ARG  70 -15.321   0.847  -2.083
  563    HG2  ARG  70           HG2      ARG  70 -13.144   0.147  -3.041
  564    HG3  ARG  70           HG3      ARG  70 -13.720  -1.522  -3.013
  565    HD2  ARG  70           HD2      ARG  70 -14.967   0.776  -4.511
  566    HD3  ARG  70           HD3      ARG  70 -14.024  -0.536  -5.215
  567    HE   ARG  70           HE       ARG  70 -16.114  -1.723  -3.835
  568   HH11  ARG  70          HH11      ARG  70 -15.728   0.493  -6.523
  569   HH12  ARG  70          HH12      ARG  70 -17.187  -0.016  -7.323
  570   HH21  ARG  70          HH21      ARG  70 -18.043  -2.382  -4.872
  571   HH22  ARG  70          HH22      ARG  70 -18.522  -1.627  -6.365
  572    H    LYS  71           H        LYS  71 -12.329  -0.979   0.958
  573    HA   LYS  71           HA       LYS  71 -12.939  -3.841   0.713
  574    HB2  LYS  71           HB2      LYS  71 -11.137  -2.903  -0.988
  575    HB3  LYS  71           HB3      LYS  71 -10.081  -2.986   0.409
  576    HG2  LYS  71           HG2      LYS  71  -9.742  -4.988  -0.763
  577    HG3  LYS  71           HG3      LYS  71 -10.760  -5.423   0.607
  578    HD2  LYS  71           HD2      LYS  71 -11.561  -6.522  -1.383
  579    HD3  LYS  71           HD3      LYS  71 -12.739  -5.317  -0.862
  580    HE2  LYS  71           HE2      LYS  71 -11.913  -3.763  -2.559
  581    HE3  LYS  71           HE3      LYS  71 -10.694  -4.940  -3.054
  582    HZ1  LYS  71           HZ1      LYS  71 -12.503  -6.454  -3.683
  583    HZ2  LYS  71           HZ2      LYS  71 -12.556  -5.004  -4.552
  584    HZ3  LYS  71           HZ3      LYS  71 -13.643  -5.265  -3.273
  585    H    LEU  72           H        LEU  72 -10.318  -4.491   1.964
  586    HA   LEU  72           HA       LEU  72  -9.706  -5.136   4.003
  587    HB2  LEU  72           HB2      LEU  72 -10.184  -2.245   4.661
  588    HB3  LEU  72           HB3      LEU  72  -9.232  -3.368   5.614
  589    HG   LEU  72           HG       LEU  72  -7.626  -2.210   4.446
  590   HD11  LEU  72          HD11      LEU  72  -6.741  -3.678   2.696
  591   HD12  LEU  72          HD12      LEU  72  -8.264  -4.573   2.708
  592   HD13  LEU  72          HD13      LEU  72  -7.238  -4.558   4.144
  593   HD21  LEU  72          HD21      LEU  72  -9.028  -0.885   3.048
  594   HD22  LEU  72          HD22      LEU  72  -9.446  -2.295   2.078
  595   HD23  LEU  72          HD23      LEU  72  -7.802  -1.657   2.041
  596    H    HIS  73           H        HIS  73 -12.034  -2.695   5.050
  597    HA   HIS  73           HA       HIS  73 -14.016  -3.972   6.305
  598    HB2  HIS  73           HB2      HIS  73 -12.357  -5.558   7.291
  599    HB3  HIS  73           HB3      HIS  73 -11.541  -4.206   8.060
  600    HD1  HIS  73           HD1      HIS  73 -12.490  -3.334  10.246
  601    HD2  HIS  73           HD2      HIS  73 -14.899  -6.216   8.455
  602    HE1  HIS  73           HE1      HIS  73 -14.202  -3.953  11.973
  603    HE2  HIS  73           HE2      HIS  73 -15.623  -5.727  10.895
  604    H    GLY  74           H        GLY  74 -11.572  -1.668   6.171
  605    HA2  GLY  74           HA2      GLY  74 -12.130   0.667   6.671
  606    HA3  GLY  74           HA3      GLY  74 -12.907   0.080   8.139
  607    H    THR  75           H        THR  75 -10.414  -1.888   7.888
  608    HA   THR  75           HA       THR  75  -8.915  -0.649   9.954
  609    HB   THR  75           HB       THR  75  -7.329  -2.606   9.522
  610    HG1  THR  75           HG1      THR  75  -7.901  -3.067   7.386
  611   HG21  THR  75          HG21      THR  75  -8.882  -4.238  10.514
  612   HG22  THR  75          HG22      THR  75 -10.235  -3.185  10.110
  613   HG23  THR  75          HG23      THR  75  -9.027  -2.656  11.279
  614    H    LEU  76           H        LEU  76  -7.967   1.210   9.344
  615    HA   LEU  76           HA       LEU  76  -5.648   1.103   7.677
  616    HB2  LEU  76           HB2      LEU  76  -8.099   2.639   6.856
  617    HB3  LEU  76           HB3      LEU  76  -6.500   3.188   6.398
  618    HG   LEU  76           HG       LEU  76  -7.700   0.517   5.673
  619   HD11  LEU  76          HD11      LEU  76  -7.770   1.424   3.393
  620   HD12  LEU  76          HD12      LEU  76  -7.229   2.988   4.007
  621   HD13  LEU  76          HD13      LEU  76  -8.797   2.342   4.495
  622   HD21  LEU  76          HD21      LEU  76  -5.741   0.289   4.227
  623   HD22  LEU  76          HD22      LEU  76  -5.275   0.433   5.924
  624   HD23  LEU  76          HD23      LEU  76  -5.106   1.817   4.842
  625    HA   PRO  77           HA       PRO  77  -4.527   4.251  10.549
  626    HB2  PRO  77           HB2      PRO  77  -2.476   5.415   9.289
  627    HB3  PRO  77           HB3      PRO  77  -2.398   3.726   9.813
  628    HG2  PRO  77           HG2      PRO  77  -3.021   4.809   7.088
  629    HG3  PRO  77           HG3      PRO  77  -1.884   3.523   7.540
  630    HD2  PRO  77           HD2      PRO  77  -4.395   3.014   6.644
  631    HD3  PRO  77           HD3      PRO  77  -3.556   1.965   7.806
  632    H    LYS  78           H        LYS  78  -4.029   6.706  10.587
  633    HA   LYS  78           HA       LYS  78  -6.190   8.123   9.382
  634    HB2  LYS  78           HB2      LYS  78  -5.195   8.700  11.590
  635    HB3  LYS  78           HB3      LYS  78  -3.732   9.214  10.760
  636    HG2  LYS  78           HG2      LYS  78  -4.941  10.985   9.646
  637    HG3  LYS  78           HG3      LYS  78  -6.455  10.442  10.376
  638    HD2  LYS  78           HD2      LYS  78  -5.652  10.976  12.575
  639    HD3  LYS  78           HD3      LYS  78  -4.044  11.336  11.948
  640    HE2  LYS  78           HE2      LYS  78  -6.567  12.857  11.298
  641    HE3  LYS  78           HE3      LYS  78  -5.325  13.369  12.440
  642    HZ1  LYS  78           HZ1      LYS  78  -3.791  13.071  10.367
  643    HZ2  LYS  78           HZ2      LYS  78  -4.686  14.491  10.584
  644    HZ3  LYS  78           HZ3      LYS  78  -5.237  13.305   9.507
  645    H    LEU  79           H        LEU  79  -5.924   7.823   7.154
  646    HA   LEU  79           HA       LEU  79  -3.465   8.701   5.906
  647    HB2  LEU  79           HB2      LEU  79  -6.011   7.619   4.707
  648    HB3  LEU  79           HB3      LEU  79  -4.572   8.022   3.793
  649    HG   LEU  79           HG       LEU  79  -4.751   5.880   5.912
  650   HD11  LEU  79          HD11      LEU  79  -4.528   5.690   2.912
  651   HD12  LEU  79          HD12      LEU  79  -5.950   5.289   3.878
  652   HD13  LEU  79          HD13      LEU  79  -4.475   4.335   4.041
  653   HD21  LEU  79          HD21      LEU  79  -2.500   5.276   5.175
  654   HD22  LEU  79          HD22      LEU  79  -2.547   6.914   5.831
  655   HD23  LEU  79          HD23      LEU  79  -2.484   6.665   4.086
  656    H    ASN  80           H        ASN  80  -3.218  10.820   5.870
  657    HA   ASN  80           HA       ASN  80  -5.359  12.600   5.111
  658    HB2  ASN  80           HB2      ASN  80  -3.558  14.345   5.130
  659    HB3  ASN  80           HB3      ASN  80  -3.702  13.462   6.645
  660   HD21  ASN  80          HD21      ASN  80  -1.868  13.670   3.651
  661   HD22  ASN  80          HD22      ASN  80  -0.387  13.048   4.302
  662    H    PHE  81           H        PHE  81  -4.482  10.459   3.304
  663    HA   PHE  81           HA       PHE  81  -3.210  11.887   1.101
  664    HB2  PHE  81           HB2      PHE  81  -3.878   8.956   1.447
  665    HB3  PHE  81           HB3      PHE  81  -3.058   9.644   0.048
  666    HD1  PHE  81           HD2      PHE  81  -2.745   8.763   3.589
  667    HD2  PHE  81           HD1      PHE  81  -0.761  10.368   0.183
  668    HE1  PHE  81           HE2      PHE  81  -0.582   8.506   4.731
  669    HE2  PHE  81           HE1      PHE  81   1.405  10.110   1.321
  670    HZ   PHE  81           HZ       PHE  81   1.496   9.179   3.597
  671    H    GLY  82           H        GLY  82  -5.707  12.829   1.635
  672    HA2  GLY  82           HA2      GLY  82  -7.765  11.548   0.133
  673    HA3  GLY  82           HA3      GLY  82  -7.790  13.204   0.728
  674    H    MET  83           H        MET  83  -5.331  13.955  -0.602
  675    HA   MET  83           HA       MET  83  -6.382  14.944  -2.992
  676    HB2  MET  83           HB2      MET  83  -4.228  15.837  -3.437
  677    HB3  MET  83           HB3      MET  83  -4.416  15.865  -1.693
  678    HG2  MET  83           HG2      MET  83  -2.864  13.813  -3.257
  679    HG3  MET  83           HG3      MET  83  -2.177  15.169  -2.367
  680    HE1  MET  83           HE1      MET  83  -1.409  12.022  -2.073
  681    HE2  MET  83           HE2      MET  83  -1.213  11.893  -0.324
  682    HE3  MET  83           HE3      MET  83  -0.564  13.291  -1.184
  683    H    LEU  84           H        LEU  84  -4.642  12.067  -2.272
  684    HA   LEU  84           HA       LEU  84  -4.216  11.432  -5.079
  685    HB2  LEU  84           HB2      LEU  84  -2.377  11.170  -3.496
  686    HB3  LEU  84           HB3      LEU  84  -3.330  10.060  -2.537
  687    HG   LEU  84           HG       LEU  84  -3.113   8.329  -4.121
  688   HD11  LEU  84          HD11      LEU  84  -2.015  10.351  -6.068
  689   HD12  LEU  84          HD12      LEU  84  -3.615   9.606  -6.133
  690   HD13  LEU  84          HD13      LEU  84  -2.172   8.614  -6.343
  691   HD21  LEU  84          HD21      LEU  84  -0.710   8.125  -4.440
  692   HD22  LEU  84          HD22      LEU  84  -1.085   8.762  -2.838
  693   HD23  LEU  84          HD23      LEU  84  -0.510   9.846  -4.107
  694    H    ARG  85           H        ARG  85  -6.824  11.325  -3.346
  695    HA   ARG  85           HA       ARG  85  -7.577   8.604  -4.118
  696    HB2  ARG  85           HB2      ARG  85  -8.891  10.571  -2.246
  697    HB3  ARG  85           HB3      ARG  85  -9.644   9.057  -2.739
  698    HG2  ARG  85           HG2      ARG  85  -7.672   7.846  -1.839
  699    HG3  ARG  85           HG3      ARG  85  -7.055   9.384  -1.238
  700    HD2  ARG  85           HD2      ARG  85  -8.946   9.639   0.215
  701    HD3  ARG  85           HD3      ARG  85  -9.724   8.214  -0.475
  702    HE   ARG  85           HE       ARG  85  -7.137   7.665   0.640
  703   HH11  ARG  85          HH11      ARG  85 -10.536   8.011   1.382
  704   HH12  ARG  85          HH12      ARG  85 -10.468   6.978   2.778
  705   HH21  ARG  85          HH21      ARG  85  -7.040   6.310   2.488
  706   HH22  ARG  85          HH22      ARG  85  -8.477   6.028   3.425
  707    H    LYS  86           H        LYS  86  -7.172  10.055  -6.200
  708    HA   LYS  86           HA       LYS  86  -8.030  10.460  -8.246
  709    HB2  LYS  86           HB2      LYS  86 -10.677   9.484  -7.173
  710    HB3  LYS  86           HB3      LYS  86 -10.144   9.499  -8.847
  711    HG2  LYS  86           HG2      LYS  86  -9.036   7.792  -6.631
  712    HG3  LYS  86           HG3      LYS  86 -10.063   7.257  -7.960
  713    HD2  LYS  86           HD2      LYS  86  -7.297   8.428  -8.263
  714    HD3  LYS  86           HD3      LYS  86  -7.675   6.707  -8.295
  715    HE2  LYS  86           HE2      LYS  86  -8.700   8.783 -10.224
  716    HE3  LYS  86           HE3      LYS  86  -7.424   7.613 -10.550
  717    HZ1  LYS  86           HZ1      LYS  86  -9.210   5.879  -9.975
  718    HZ2  LYS  86           HZ2      LYS  86  -9.297   6.662 -11.478
  719    HZ3  LYS  86           HZ3      LYS  86 -10.320   7.143 -10.219
  720    H    MET  87           H        MET  87  -8.368  12.509  -5.984
  721    HA   MET  87           HA       MET  87 -10.440  14.089  -7.355
  722    HB2  MET  87           HB2      MET  87 -10.878  15.278  -5.323
  723    HB3  MET  87           HB3      MET  87 -10.963  13.556  -4.988
  724    HG2  MET  87           HG2      MET  87  -8.681  13.665  -4.052
  725    HG3  MET  87           HG3      MET  87  -8.693  15.409  -4.313
  726    HE1  MET  87           HE1      MET  87 -11.645  13.073  -3.178
  727    HE2  MET  87           HE2      MET  87 -11.542  13.206  -1.423
  728    HE3  MET  87           HE3      MET  87 -10.254  12.404  -2.324
  729    H    GLY  88           H        GLY  88  -7.121  13.897  -6.579
  730    HA2  GLY  88           HA2      GLY  88  -5.474  15.207  -7.626
  731    HA3  GLY  88           HA3      GLY  88  -6.700  16.417  -7.982
  Start of MODEL   19
    1    H1   PHE   1           HT1      PHE   1  15.719 -13.927   2.284
    2    H2   PHE   1           HT2      PHE   1  14.112 -14.113   1.758
    3    H3   PHE   1           HT3      PHE   1  14.462 -14.056   3.415
    4    HA   PHE   1           HA       PHE   1  15.024 -11.807   3.358
    5    HB2  PHE   1           HB2      PHE   1  16.269 -11.885   1.218
    6    HB3  PHE   1           HB3      PHE   1  14.741 -11.978   0.347
    7    HD1  PHE   1           HD1      PHE   1  16.700  -9.819   2.642
    8    HD2  PHE   1           HD2      PHE   1  13.613 -10.044  -0.275
    9    HE1  PHE   1           HE1      PHE   1  16.596  -7.362   2.568
   10    HE2  PHE   1           HE2      PHE   1  13.501  -7.589  -0.356
   11    HZ   PHE   1           HZ       PHE   1  14.996  -6.245   1.066
   12    H    LEU   2           H        LEU   2  13.231 -11.230   4.388
   13    HA   LEU   2           HA       LEU   2  10.770 -11.004   2.781
   14    HB2  LEU   2           HB2      LEU   2   9.426 -11.383   4.717
   15    HB3  LEU   2           HB3      LEU   2  10.591 -12.687   4.621
   16    HG   LEU   2           HG       LEU   2  11.069 -10.311   6.404
   17   HD11  LEU   2          HD11      LEU   2   9.543 -12.826   7.077
   18   HD12  LEU   2          HD12      LEU   2   8.884 -11.190   7.009
   19   HD13  LEU   2          HD13      LEU   2  10.079 -11.609   8.238
   20   HD21  LEU   2          HD21      LEU   2  12.422 -11.934   7.648
   21   HD22  LEU   2          HD22      LEU   2  12.962 -11.783   5.975
   22   HD23  LEU   2          HD23      LEU   2  12.006 -13.180   6.470
   23    H    LEU   3           H        LEU   3   9.622  -9.096   2.941
   24    HA   LEU   3           HA       LEU   3  11.119  -6.805   3.807
   25    HB2  LEU   3           HB2      LEU   3   8.439  -7.193   2.511
   26    HB3  LEU   3           HB3      LEU   3   8.874  -5.635   3.184
   27    HG   LEU   3           HG       LEU   3   9.305  -5.619   0.819
   28   HD11  LEU   3          HD11      LEU   3  11.689  -5.060   0.798
   29   HD12  LEU   3          HD12      LEU   3  11.871  -5.812   2.384
   30   HD13  LEU   3          HD13      LEU   3  10.860  -4.379   2.199
   31   HD21  LEU   3          HD21      LEU   3   9.534  -7.988   0.400
   32   HD22  LEU   3          HD22      LEU   3  11.041  -8.035   1.313
   33   HD23  LEU   3          HD23      LEU   3  10.958  -7.137  -0.201
   34    HA   PRO   4           HA       PRO   4   9.613  -7.202   8.008
   35    HB2  PRO   4           HB2      PRO   4  11.010  -4.605   8.269
   36    HB3  PRO   4           HB3      PRO   4  11.227  -6.095   9.192
   37    HG2  PRO   4           HG2      PRO   4  13.043  -5.299   7.405
   38    HG3  PRO   4           HG3      PRO   4  12.654  -7.015   7.624
   39    HD2  PRO   4           HD2      PRO   4  11.776  -5.130   5.470
   40    HD3  PRO   4           HD3      PRO   4  12.258  -6.836   5.347
   41    HA   PRO   5           HA       PRO   5   5.841  -4.909   7.540
   42    HB2  PRO   5           HB2      PRO   5   5.957  -5.108  10.522
   43    HB3  PRO   5           HB3      PRO   5   4.619  -5.464   9.423
   44    HG2  PRO   5           HG2      PRO   5   6.032  -7.440  10.484
   45    HG3  PRO   5           HG3      PRO   5   5.522  -7.514   8.786
   46    HD2  PRO   5           HD2      PRO   5   8.210  -6.921   9.938
   47    HD3  PRO   5           HD3      PRO   5   7.787  -7.790   8.449
   48    H    SER   6           H        SER   6   6.139  -2.854   6.968
   49    HA   SER   6           HA       SER   6   6.089  -0.609   7.179
   50    HB2  SER   6           HB2      SER   6   6.268  -1.155  10.142
   51    HB3  SER   6           HB3      SER   6   6.019   0.442   9.432
   52    HG   SER   6           HG       SER   6   4.175  -0.680   8.298
   53    H    THR   7           H        THR   7   8.701  -2.469   7.630
   54    HA   THR   7           HA       THR   7  10.526  -0.241   8.075
   55    HB   THR   7           HB       THR   7  11.151  -3.128   7.392
   56    HG1  THR   7           HG1      THR   7  10.490  -3.227   9.460
   57   HG21  THR   7          HG21      THR   7  12.935  -1.582   6.705
   58   HG22  THR   7          HG22      THR   7  13.438  -2.583   8.070
   59   HG23  THR   7          HG23      THR   7  12.968  -0.902   8.332
   60    H    ALA   8           H        ALA   8   9.820   1.005   6.327
   61    HA   ALA   8           HA       ALA   8   9.778  -0.043   3.665
   62    HB1  ALA   8           HB1      ALA   8   9.509   2.791   4.654
   63    HB2  ALA   8           HB2      ALA   8   8.189   1.659   4.352
   64    HB3  ALA   8           HB3      ALA   8   9.181   2.236   3.011
   65    H    CYS   9           H        CYS   9  11.871  -0.764   3.349
   66    HA   CYS   9           HA       CYS   9  13.793   1.379   2.754
   67    HB2  CYS   9           HB2      CYS   9  14.318   0.027   4.862
   68    HB3  CYS   9           HB3      CYS   9  14.585  -1.344   3.791
   69    H    CYS  10           H        CYS  10  11.881   0.166   1.047
   70    HA   CYS  10           HA       CYS  10  13.032  -1.977  -0.431
   71    HB2  CYS  10           HB2      CYS  10  10.834  -0.062  -1.253
   72    HB3  CYS  10           HB3      CYS  10  11.194  -1.616  -2.000
   73    H    THR  11           H        THR  11  14.777  -1.775  -1.660
   74    HA   THR  11           HA       THR  11  15.134   0.687  -3.204
   75    HB   THR  11           HB       THR  11  17.395  -0.379  -3.769
   76    HG1  THR  11           HG1      THR  11  17.912  -2.220  -2.840
   77   HG21  THR  11          HG21      THR  11  16.809   0.287  -0.880
   78   HG22  THR  11          HG22      THR  11  17.157   1.452  -2.158
   79   HG23  THR  11          HG23      THR  11  18.399   0.309  -1.645
   80    H    GLN  12           H        GLN  12  13.738  -2.237  -3.423
   81    HA   GLN  12           HA       GLN  12  13.859  -2.197  -6.343
   82    HB2  GLN  12           HB2      GLN  12  13.224  -4.715  -6.102
   83    HB3  GLN  12           HB3      GLN  12  14.901  -4.223  -5.960
   84    HG2  GLN  12           HG2      GLN  12  14.387  -5.869  -4.289
   85    HG3  GLN  12           HG3      GLN  12  14.710  -4.322  -3.516
   86   HE21  GLN  12          HE21      GLN  12  13.141  -3.381  -2.293
   87   HE22  GLN  12          HE22      GLN  12  11.596  -4.077  -2.000
   88    H    LEU  13           H        LEU  13  11.834  -3.028  -7.359
   89    HA   LEU  13           HA       LEU  13   9.493  -2.566  -5.655
   90    HB2  LEU  13           HB2      LEU  13   9.986  -1.259  -8.334
   91    HB3  LEU  13           HB3      LEU  13   8.486  -1.170  -7.430
   92    HG   LEU  13           HG       LEU  13  11.132  -0.087  -6.455
   93   HD11  LEU  13          HD11      LEU  13  10.398   1.171  -8.375
   94   HD12  LEU  13          HD12      LEU  13  10.139   2.121  -6.911
   95   HD13  LEU  13          HD13      LEU  13   8.777   1.321  -7.696
   96   HD21  LEU  13          HD21      LEU  13   8.322   0.212  -5.390
   97   HD22  LEU  13          HD22      LEU  13   9.750   1.043  -4.769
   98   HD23  LEU  13          HD23      LEU  13   9.628  -0.713  -4.647
   99    H    TYR  14           H        TYR  14   7.680  -3.708  -6.206
  100    HA   TYR  14           HA       TYR  14   8.034  -6.102  -7.663
  101    HB2  TYR  14           HB2      TYR  14   6.345  -5.442  -5.753
  102    HB3  TYR  14           HB3      TYR  14   5.316  -4.973  -7.101
  103    HD1  TYR  14           HD1      TYR  14   7.298  -7.833  -5.800
  104    HD2  TYR  14           HD2      TYR  14   3.978  -6.579  -8.145
  105    HE1  TYR  14           HE1      TYR  14   6.581 -10.171  -6.016
  106    HE2  TYR  14           HE2      TYR  14   3.250  -8.922  -8.371
  107    HH   TYR  14           HH       TYR  14   4.676 -11.467  -6.482
  108    H    ARG  15           H        ARG  15   6.267  -3.111  -8.363
  109    HA   ARG  15           HA       ARG  15   5.842  -2.013 -10.300
  110    HB2  ARG  15           HB2      ARG  15   7.855  -3.985 -11.359
  111    HB3  ARG  15           HB3      ARG  15   7.157  -2.705 -12.342
  112    HG2  ARG  15           HG2      ARG  15   8.114  -1.018 -10.936
  113    HG3  ARG  15           HG3      ARG  15   8.668  -2.234  -9.781
  114    HD2  ARG  15           HD2      ARG  15  10.463  -1.402 -11.266
  115    HD3  ARG  15           HD3      ARG  15  10.200  -3.141 -11.395
  116    HE   ARG  15           HE       ARG  15   8.657  -2.131 -13.384
  117   HH11  ARG  15          HH11      ARG  15  11.999  -1.655 -12.479
  118   HH12  ARG  15          HH12      ARG  15  12.548  -1.449 -14.117
  119   HH21  ARG  15          HH21      ARG  15   9.371  -1.869 -15.543
  120   HH22  ARG  15          HH22      ARG  15  11.058  -1.589 -15.861
  121    H    LYS  16           H        LYS  16   4.649  -4.881  -9.616
  122    HA   LYS  16           HA       LYS  16   3.091  -5.042 -12.106
  123    HB2  LYS  16           HB2      LYS  16   4.035  -7.292 -10.319
  124    HB3  LYS  16           HB3      LYS  16   2.816  -7.492 -11.569
  125    HG2  LYS  16           HG2      LYS  16   5.599  -6.495 -12.111
  126    HG3  LYS  16           HG3      LYS  16   5.130  -8.194 -12.203
  127    HD2  LYS  16           HD2      LYS  16   3.446  -7.619 -13.900
  128    HD3  LYS  16           HD3      LYS  16   3.960  -5.931 -13.822
  129    HE2  LYS  16           HE2      LYS  16   6.155  -6.511 -14.623
  130    HE3  LYS  16           HE3      LYS  16   5.765  -8.230 -14.560
  131    HZ1  LYS  16           HZ1      LYS  16   4.183  -7.956 -16.305
  132    HZ2  LYS  16           HZ2      LYS  16   5.639  -7.250 -16.817
  133    HZ3  LYS  16           HZ3      LYS  16   4.356  -6.269 -16.294
  134    HA   PRO  17           HA       PRO  17  -0.443  -4.303  -9.529
  135    HB2  PRO  17           HB2      PRO  17  -1.912  -5.968 -11.483
  136    HB3  PRO  17           HB3      PRO  17  -2.186  -4.290 -11.008
  137    HG2  PRO  17           HG2      PRO  17  -1.145  -4.884 -13.391
  138    HG3  PRO  17           HG3      PRO  17  -0.585  -3.473 -12.472
  139    HD2  PRO  17           HD2      PRO  17   0.696  -6.165 -12.781
  140    HD3  PRO  17           HD3      PRO  17   1.446  -4.555 -12.809
  141    H    LEU  18           H        LEU  18  -1.095  -5.315  -7.760
  142    HA   LEU  18           HA       LEU  18  -0.423  -8.076  -7.373
  143    HB2  LEU  18           HB2      LEU  18  -1.864  -6.155  -5.548
  144    HB3  LEU  18           HB3      LEU  18  -1.204  -7.712  -5.083
  145    HG   LEU  18           HG       LEU  18   0.394  -5.320  -6.007
  146   HD11  LEU  18          HD11      LEU  18   0.131  -6.594  -3.288
  147   HD12  LEU  18          HD12      LEU  18  -0.552  -5.042  -3.780
  148   HD13  LEU  18          HD13      LEU  18   1.198  -5.254  -3.707
  149   HD21  LEU  18          HD21      LEU  18   2.351  -6.660  -5.358
  150   HD22  LEU  18          HD22      LEU  18   1.460  -7.387  -6.697
  151   HD23  LEU  18          HD23      LEU  18   1.296  -8.043  -5.067
  152    H    SER  19           H        SER  19  -1.880  -9.718  -6.669
  153    HA   SER  19           HA       SER  19  -4.363  -9.774  -8.062
  154    HB2  SER  19           HB2      SER  19  -3.256 -11.657  -5.964
  155    HB3  SER  19           HB3      SER  19  -4.650 -11.982  -6.997
  156    HG   SER  19           HG       SER  19  -2.071 -12.370  -7.533
  157    H    ASP  20           H        ASP  20  -6.404  -9.466  -7.319
  158    HA   ASP  20           HA       ASP  20  -6.754  -7.731  -5.129
  159    HB2  ASP  20           HB2      ASP  20  -8.226  -7.907  -7.177
  160    HB3  ASP  20           HB3      ASP  20  -8.920  -9.358  -6.466
  161    H    LYS  21           H        LYS  21  -6.923 -11.180  -5.451
  162    HA   LYS  21           HA       LYS  21  -8.356 -11.863  -3.146
  163    HB2  LYS  21           HB2      LYS  21  -6.026 -13.369  -4.355
  164    HB3  LYS  21           HB3      LYS  21  -7.278 -14.034  -3.318
  165    HG2  LYS  21           HG2      LYS  21  -8.935 -13.773  -5.000
  166    HG3  LYS  21           HG3      LYS  21  -7.843 -12.821  -6.010
  167    HD2  LYS  21           HD2      LYS  21  -7.961 -15.042  -6.908
  168    HD3  LYS  21           HD3      LYS  21  -6.369 -14.817  -6.188
  169    HE2  LYS  21           HE2      LYS  21  -7.157 -16.987  -5.578
  170    HE3  LYS  21           HE3      LYS  21  -7.207 -15.966  -4.142
  171    HZ1  LYS  21           HZ1      LYS  21  -9.533 -16.622  -5.873
  172    HZ2  LYS  21           HZ2      LYS  21  -9.581 -15.668  -4.473
  173    HZ3  LYS  21           HZ3      LYS  21  -9.204 -17.316  -4.360
  174    H    LEU  22           H        LEU  22  -4.823 -11.524  -3.585
  175    HA   LEU  22           HA       LEU  22  -4.330 -11.706  -0.771
  176    HB2  LEU  22           HB2      LEU  22  -2.021 -11.216  -1.304
  177    HB3  LEU  22           HB3      LEU  22  -2.653 -12.421  -2.401
  178    HG   LEU  22           HG       LEU  22  -3.033 -10.331  -3.969
  179   HD11  LEU  22          HD11      LEU  22  -1.227  -8.694  -3.729
  180   HD12  LEU  22          HD12      LEU  22  -0.771  -9.430  -2.191
  181   HD13  LEU  22          HD13      LEU  22  -2.343  -8.650  -2.366
  182   HD21  LEU  22          HD21      LEU  22  -1.642 -12.272  -4.472
  183   HD22  LEU  22          HD22      LEU  22  -0.332 -11.589  -3.510
  184   HD23  LEU  22          HD23      LEU  22  -0.865 -10.776  -4.980
  185    H    LEU  23           H        LEU  23  -5.107  -9.189  -2.978
  186    HA   LEU  23           HA       LEU  23  -3.931  -7.016  -1.608
  187    HB2  LEU  23           HB2      LEU  23  -4.734  -7.186  -4.039
  188    HB3  LEU  23           HB3      LEU  23  -6.331  -6.839  -3.408
  189    HG   LEU  23           HG       LEU  23  -5.563  -4.684  -2.574
  190   HD11  LEU  23          HD11      LEU  23  -3.265  -5.248  -2.043
  191   HD12  LEU  23          HD12      LEU  23  -3.312  -3.871  -3.142
  192   HD13  LEU  23          HD13      LEU  23  -2.903  -5.472  -3.755
  193   HD21  LEU  23          HD21      LEU  23  -5.133  -3.601  -4.744
  194   HD22  LEU  23          HD22      LEU  23  -6.436  -4.789  -4.837
  195   HD23  LEU  23          HD23      LEU  23  -4.832  -5.187  -5.459
  196    H    ARG  24           H        ARG  24  -7.128  -8.521  -1.447
  197    HA   ARG  24           HA       ARG  24  -8.346  -6.561   0.199
  198    HB2  ARG  24           HB2      ARG  24 -10.033  -8.273   0.679
  199    HB3  ARG  24           HB3      ARG  24  -9.666  -8.197  -1.039
  200    HG2  ARG  24           HG2      ARG  24  -8.278 -10.171  -0.854
  201    HG3  ARG  24           HG3      ARG  24  -8.565 -10.232   0.885
  202    HD2  ARG  24           HD2      ARG  24 -10.724 -10.410  -1.203
  203    HD3  ARG  24           HD3      ARG  24  -9.968 -11.805  -0.436
  204    HE   ARG  24           HE       ARG  24 -10.809 -10.687   1.719
  205   HH11  ARG  24          HH11      ARG  24 -12.439 -10.437  -1.368
  206   HH12  ARG  24          HH12      ARG  24 -14.034 -10.425  -0.666
  207   HH21  ARG  24          HH21      ARG  24 -12.912 -10.675   2.645
  208   HH22  ARG  24          HH22      ARG  24 -14.298 -10.545   1.600
  209    H    LYS  25           H        LYS  25  -5.832  -8.542   0.854
  210    HA   LYS  25           HA       LYS  25  -6.441  -8.798   3.706
  211    HB2  LYS  25           HB2      LYS  25  -4.582 -10.282   1.879
  212    HB3  LYS  25           HB3      LYS  25  -4.382 -10.341   3.629
  213    HG2  LYS  25           HG2      LYS  25  -6.159 -11.682   3.916
  214    HG3  LYS  25           HG3      LYS  25  -7.114 -10.844   2.696
  215    HD2  LYS  25           HD2      LYS  25  -6.578 -13.220   2.144
  216    HD3  LYS  25           HD3      LYS  25  -6.058 -12.048   0.931
  217    HE2  LYS  25           HE2      LYS  25  -3.802 -12.175   1.667
  218    HE3  LYS  25           HE3      LYS  25  -4.254 -13.144   3.071
  219    HZ1  LYS  25           HZ1      LYS  25  -3.276 -14.395   1.135
  220    HZ2  LYS  25           HZ2      LYS  25  -4.710 -14.060   0.287
  221    HZ3  LYS  25           HZ3      LYS  25  -4.763 -14.979   1.707
  222    H    VAL  26           H        VAL  26  -5.096  -6.644   1.744
  223    HA   VAL  26           HA       VAL  26  -2.836  -5.901   3.360
  224    HB   VAL  26           HB       VAL  26  -4.313  -4.541   1.101
  225   HG11  VAL  26          HG11      VAL  26  -2.616  -2.802   1.167
  226   HG12  VAL  26          HG12      VAL  26  -1.915  -3.532   2.612
  227   HG13  VAL  26          HG13      VAL  26  -3.541  -2.850   2.666
  228   HG21  VAL  26          HG21      VAL  26  -2.218  -4.877  -0.099
  229   HG22  VAL  26          HG22      VAL  26  -2.866  -6.410   0.490
  230   HG23  VAL  26          HG23      VAL  26  -1.523  -5.635   1.333
  231    H    ILE  27           H        ILE  27  -2.899  -4.546   5.050
  232    HA   ILE  27           HA       ILE  27  -5.580  -3.740   5.930
  233    HB   ILE  27           HB       ILE  27  -4.511  -3.441   8.186
  234   HG12  ILE  27          HG12      ILE  27  -2.192  -4.825   6.816
  235   HG13  ILE  27          HG13      ILE  27  -2.188  -3.193   7.476
  236   HG21  ILE  27          HG21      ILE  27  -4.406  -6.177   6.928
  237   HG22  ILE  27          HG22      ILE  27  -5.817  -5.402   7.650
  238   HG23  ILE  27          HG23      ILE  27  -4.443  -5.851   8.661
  239   HD11  ILE  27          HD11      ILE  27  -2.533  -4.123   9.721
  240   HD12  ILE  27          HD12      ILE  27  -1.048  -4.699   8.969
  241   HD13  ILE  27          HD13      ILE  27  -2.462  -5.748   9.041
  242    H    GLN  28           H        GLN  28  -2.377  -2.452   5.276
  243    HA   GLN  28           HA       GLN  28  -3.491   0.246   5.386
  244    HB2  GLN  28           HB2      GLN  28  -1.013  -0.621   6.890
  245    HB3  GLN  28           HB3      GLN  28  -1.462   1.054   6.612
  246    HG2  GLN  28           HG2      GLN  28  -3.082  -0.959   8.157
  247    HG3  GLN  28           HG3      GLN  28  -2.052   0.288   8.857
  248   HE21  GLN  28          HE21      GLN  28  -4.902  -0.155   9.184
  249   HE22  GLN  28          HE22      GLN  28  -5.679   1.299   8.656
  250    H    VAL  29           H        VAL  29  -2.241   1.801   4.222
  251    HA   VAL  29           HA       VAL  29  -0.222   0.626   2.431
  252    HB   VAL  29           HB       VAL  29  -2.069   1.458   1.121
  253   HG11  VAL  29          HG11      VAL  29  -3.039   3.000   2.743
  254   HG12  VAL  29          HG12      VAL  29  -2.813   3.778   1.176
  255   HG13  VAL  29          HG13      VAL  29  -1.693   4.114   2.497
  256   HG21  VAL  29          HG21      VAL  29  -0.930   3.168  -0.260
  257   HG22  VAL  29          HG22      VAL  29   0.107   1.800   0.142
  258   HG23  VAL  29          HG23      VAL  29   0.293   3.330   1.000
  259    H    GLU  30           H        GLU  30   1.804   1.172   2.904
  260    HA   GLU  30           HA       GLU  30   2.167   3.522   4.622
  261    HB2  GLU  30           HB2      GLU  30   4.296   2.326   5.335
  262    HB3  GLU  30           HB3      GLU  30   2.771   1.642   5.876
  263    HG2  GLU  30           HG2      GLU  30   2.992   0.118   3.793
  264    HG3  GLU  30           HG3      GLU  30   4.689   0.607   3.836
  265    H    LEU  31           H        LEU  31   3.055   5.185   3.738
  266    HA   LEU  31           HA       LEU  31   4.394   5.044   1.211
  267    HB2  LEU  31           HB2      LEU  31   3.008   6.951   1.647
  268    HB3  LEU  31           HB3      LEU  31   3.867   7.306   3.132
  269    HG   LEU  31           HG       LEU  31   5.873   7.905   1.827
  270   HD11  LEU  31          HD11      LEU  31   4.114   7.482  -0.583
  271   HD12  LEU  31          HD12      LEU  31   5.474   6.464  -0.108
  272   HD13  LEU  31          HD13      LEU  31   5.751   8.138  -0.586
  273   HD21  LEU  31          HD21      LEU  31   5.017   9.994   0.906
  274   HD22  LEU  31          HD22      LEU  31   4.259   9.628   2.457
  275   HD23  LEU  31          HD23      LEU  31   3.375   9.350   0.957
  276    H    GLN  32           H        GLN  32   6.425   4.494   0.977
  277    HA   GLN  32           HA       GLN  32   8.356   4.769   3.096
  278    HB2  GLN  32           HB2      GLN  32   8.734   2.880   1.757
  279    HB3  GLN  32           HB3      GLN  32   8.432   3.761   0.267
  280    HG2  GLN  32           HG2      GLN  32  10.530   4.896   0.437
  281    HG3  GLN  32           HG3      GLN  32  10.817   4.222   2.039
  282   HE21  GLN  32          HE21      GLN  32  12.809   3.443   1.193
  283   HE22  GLN  32          HE22      GLN  32  12.858   2.009   0.232
  284    H    GLU  33           H        GLU  33   9.098   6.735   3.567
  285    HA   GLU  33           HA       GLU  33   9.154   8.822   1.581
  286    HB2  GLU  33           HB2      GLU  33  10.145   8.824   4.441
  287    HB3  GLU  33           HB3      GLU  33   9.943  10.242   3.418
  288    HG2  GLU  33           HG2      GLU  33   7.517   9.698   3.263
  289    HG3  GLU  33           HG3      GLU  33   7.780   8.421   4.444
  290    H    ALA  34           H        ALA  34  11.084   9.942   0.928
  291    HA   ALA  34           HA       ALA  34  12.984   7.955   0.088
  292    HB1  ALA  34           HB1      ALA  34  12.074   9.618  -1.455
  293    HB2  ALA  34           HB2      ALA  34  13.833   9.692  -1.383
  294    HB3  ALA  34           HB3      ALA  34  12.866  10.901  -0.538
  295    H    ASP  35           H        ASP  35  13.121   8.736   2.934
  296    HA   ASP  35           HA       ASP  35  15.891   8.850   3.265
  297    HB2  ASP  35           HB2      ASP  35  15.377  11.234   2.429
  298    HB3  ASP  35           HB3      ASP  35  14.670  11.496   4.019
  299    H    GLY  36           H        GLY  36  12.713   8.901   4.426
  300    HA2  GLY  36           HA2      GLY  36  13.065   9.310   7.178
  301    HA3  GLY  36           HA3      GLY  36  11.751   8.407   6.446
  302    H    ASP  37           H        ASP  37  12.286   6.114   5.815
  303    HA   ASP  37           HA       ASP  37  13.682   4.860   8.033
  304    HB2  ASP  37           HB2      ASP  37  11.462   4.021   7.122
  305    HB3  ASP  37           HB3      ASP  37  12.333   3.506   5.683
  306    H    CYS  38           H        CYS  38  13.798   4.990   4.536
  307    HA   CYS  38           HA       CYS  38  16.695   4.967   4.583
  308    HB2  CYS  38           HB2      CYS  38  15.073   3.006   2.952
  309    HB3  CYS  38           HB3      CYS  38  16.776   3.333   2.708
  310    H    HIS  39           H        HIS  39  17.329   5.164   2.036
  311    HA   HIS  39           HA       HIS  39  15.870   7.440   1.067
  312    HB2  HIS  39           HB2      HIS  39  17.472   7.450  -0.801
  313    HB3  HIS  39           HB3      HIS  39  18.292   7.364   0.750
  314    HD1  HIS  39           HD1      HIS  39  20.154   5.756   0.796
  315    HD2  HIS  39           HD2      HIS  39  17.253   4.668  -1.983
  316    HE1  HIS  39           HE1      HIS  39  21.048   3.703  -0.357
  317    HE2  HIS  39           HE2      HIS  39  19.379   3.209  -2.186
  318    H    LEU  40           H        LEU  40  15.377   7.431  -1.372
  319    HA   LEU  40           HA       LEU  40  14.177   6.711  -3.164
  320    HB2  LEU  40           HB2      LEU  40  15.565   4.618  -2.971
  321    HB3  LEU  40           HB3      LEU  40  14.302   3.933  -1.974
  322    HG   LEU  40           HG       LEU  40  14.379   3.235  -4.424
  323   HD11  LEU  40          HD11      LEU  40  11.932   3.233  -4.643
  324   HD12  LEU  40          HD12      LEU  40  11.828   4.359  -3.286
  325   HD13  LEU  40          HD13      LEU  40  12.475   2.734  -3.041
  326   HD21  LEU  40          HD21      LEU  40  13.250   6.006  -4.764
  327   HD22  LEU  40          HD22      LEU  40  13.223   4.740  -5.992
  328   HD23  LEU  40          HD23      LEU  40  14.762   5.393  -5.431
  329    H    GLN  41           H        GLN  41  12.127   7.270  -3.343
  330    HA   GLN  41           HA       GLN  41  10.325   6.773  -1.094
  331    HB2  GLN  41           HB2      GLN  41  10.566   9.074  -1.999
  332    HB3  GLN  41           HB3      GLN  41   9.928   8.515  -3.537
  333    HG2  GLN  41           HG2      GLN  41   7.810   7.959  -2.466
  334    HG3  GLN  41           HG3      GLN  41   8.454   8.484  -0.912
  335   HE21  GLN  41          HE21      GLN  41   9.151  10.129  -3.909
  336   HE22  GLN  41          HE22      GLN  41   8.240  11.558  -3.559
  337    H    ALA  42           H        ALA  42   8.651   5.402  -1.179
  338    HA   ALA  42           HA       ALA  42   7.649   4.452  -3.744
  339    HB1  ALA  42           HB1      ALA  42   9.474   2.905  -3.233
  340    HB2  ALA  42           HB2      ALA  42   7.906   2.100  -3.150
  341    HB3  ALA  42           HB3      ALA  42   8.740   2.559  -1.665
  342    H    PHE  43           H        PHE  43   5.683   3.141  -3.492
  343    HA   PHE  43           HA       PHE  43   4.290   3.759  -0.981
  344    HB2  PHE  43           HB2      PHE  43   3.409   3.826  -3.783
  345    HB3  PHE  43           HB3      PHE  43   2.291   3.006  -2.695
  346    HD1  PHE  43           HD2      PHE  43   1.426   4.211  -0.699
  347    HD2  PHE  43           HD1      PHE  43   3.606   6.179  -3.777
  348    HE1  PHE  43           HE2      PHE  43   0.571   6.382   0.087
  349    HE2  PHE  43           HE1      PHE  43   2.751   8.352  -3.004
  350    HZ   PHE  43           HZ       PHE  43   1.234   8.454  -1.066
  351    H    VAL  44           H        VAL  44   4.435   2.092   0.314
  352    HA   VAL  44           HA       VAL  44   4.645  -0.584  -0.846
  353    HB   VAL  44           HB       VAL  44   5.379   0.415   1.913
  354   HG11  VAL  44          HG11      VAL  44   5.896  -2.262   0.620
  355   HG12  VAL  44          HG12      VAL  44   4.797  -1.953   1.965
  356   HG13  VAL  44          HG13      VAL  44   6.535  -1.732   2.174
  357   HG21  VAL  44          HG21      VAL  44   7.699   0.121   1.096
  358   HG22  VAL  44          HG22      VAL  44   6.799   1.360   0.216
  359   HG23  VAL  44          HG23      VAL  44   7.052  -0.227  -0.511
  360    H    LEU  45           H        LEU  45   3.139  -2.103  -0.495
  361    HA   LEU  45           HA       LEU  45   0.783  -1.290   1.023
  362    HB2  LEU  45           HB2      LEU  45   1.216  -3.480  -1.000
  363    HB3  LEU  45           HB3      LEU  45  -0.272  -3.293  -0.086
  364    HG   LEU  45           HG       LEU  45   0.893  -1.276  -2.007
  365   HD11  LEU  45          HD11      LEU  45  -0.100  -3.187  -3.131
  366   HD12  LEU  45          HD12      LEU  45  -1.096  -1.744  -3.337
  367   HD13  LEU  45          HD13      LEU  45  -1.576  -2.990  -2.182
  368   HD21  LEU  45          HD21      LEU  45  -0.203  -0.185  -0.130
  369   HD22  LEU  45          HD22      LEU  45  -1.639  -1.180  -0.377
  370   HD23  LEU  45          HD23      LEU  45  -1.154  -0.009  -1.604
  371    H    HIS  46           H        HIS  46   0.276  -2.100   2.900
  372    HA   HIS  46           HA       HIS  46   2.094  -4.118   4.012
  373    HB2  HIS  46           HB2      HIS  46   1.950  -1.831   5.044
  374    HB3  HIS  46           HB3      HIS  46   0.282  -2.184   5.469
  375    HD1  HIS  46           HD1      HIS  46   3.675  -2.460   6.679
  376    HD2  HIS  46           HD2      HIS  46   0.076  -4.425   7.369
  377    HE1  HIS  46           HE1      HIS  46   3.972  -3.684   8.861
  378    HE2  HIS  46           HE2      HIS  46   1.756  -4.811   9.301
  379    H    LEU  47           H        LEU  47   1.166  -6.087   3.643
  380    HA   LEU  47           HA       LEU  47  -1.621  -6.555   4.251
  381    HB2  LEU  47           HB2      LEU  47   0.646  -8.492   3.729
  382    HB3  LEU  47           HB3      LEU  47  -1.018  -8.970   3.990
  383    HG   LEU  47           HG       LEU  47  -1.555  -7.515   1.937
  384   HD11  LEU  47          HD11      LEU  47   0.588  -6.356   1.798
  385   HD12  LEU  47          HD12      LEU  47   0.266  -7.276   0.328
  386   HD13  LEU  47          HD13      LEU  47   1.407  -7.894   1.521
  387   HD21  LEU  47          HD21      LEU  47  -1.683  -9.947   1.976
  388   HD22  LEU  47          HD22      LEU  47   0.043 -10.050   1.628
  389   HD23  LEU  47          HD23      LEU  47  -1.058  -9.366   0.433
  390    H    ALA  48           H        ALA  48  -2.222  -8.160   5.954
  391    HA   ALA  48           HA       ALA  48  -1.318  -7.289   8.455
  392    HB1  ALA  48           HB1      ALA  48  -2.703  -9.048   9.395
  393    HB2  ALA  48           HB2      ALA  48  -2.811  -9.829   7.817
  394    HB3  ALA  48           HB3      ALA  48  -3.541  -8.241   8.067
  395    H    GLN  49           H        GLN  49   0.128  -9.489   6.343
  396    HA   GLN  49           HA       GLN  49   1.584 -10.797   8.533
  397    HB2  GLN  49           HB2      GLN  49   1.512 -11.760   5.678
  398    HB3  GLN  49           HB3      GLN  49   2.006 -12.645   7.110
  399    HG2  GLN  49           HG2      GLN  49  -0.070 -13.542   6.642
  400    HG3  GLN  49           HG3      GLN  49  -0.423 -12.353   7.891
  401   HE21  GLN  49          HE21      GLN  49   0.234 -11.591   4.520
  402   HE22  GLN  49          HE22      GLN  49  -1.354 -11.022   4.150
  403    H    ARG  50           H        ARG  50   1.986  -9.159   5.412
  404    HA   ARG  50           HA       ARG  50   4.646  -8.339   6.083
  405    HB2  ARG  50           HB2      ARG  50   5.570  -9.458   3.916
  406    HB3  ARG  50           HB3      ARG  50   5.459 -10.395   5.396
  407    HG2  ARG  50           HG2      ARG  50   4.664 -11.822   3.728
  408    HG3  ARG  50           HG3      ARG  50   3.213 -11.216   4.521
  409    HD2  ARG  50           HD2      ARG  50   2.785 -11.149   2.198
  410    HD3  ARG  50           HD3      ARG  50   3.073  -9.485   2.700
  411    HE   ARG  50           HE       ARG  50   5.464 -10.004   1.853
  412   HH11  ARG  50          HH11      ARG  50   2.496 -11.258   0.472
  413   HH12  ARG  50          HH12      ARG  50   3.139 -11.350  -1.143
  414   HH21  ARG  50          HH21      ARG  50   6.316 -10.141  -0.270
  415   HH22  ARG  50          HH22      ARG  50   5.299 -10.724  -1.557
  416    H    SER  51           H        SER  51   5.685  -7.183   4.144
  417    HA   SER  51           HA       SER  51   3.540  -5.638   2.856
  418    HB2  SER  51           HB2      SER  51   6.332  -4.765   3.628
  419    HB3  SER  51           HB3      SER  51   5.119  -3.749   2.854
  420    HG   SER  51           HG       SER  51   4.667  -3.283   4.866
  421    H    ILE  52           H        ILE  52   3.911  -4.770   0.766
  422    HA   ILE  52           HA       ILE  52   5.996  -6.125  -0.830
  423    HB   ILE  52           HB       ILE  52   3.201  -5.413  -1.770
  424   HG12  ILE  52          HG12      ILE  52   4.415  -8.137  -1.231
  425   HG13  ILE  52          HG13      ILE  52   3.237  -7.334  -0.199
  426   HG21  ILE  52          HG21      ILE  52   3.807  -6.635  -3.805
  427   HG22  ILE  52          HG22      ILE  52   5.432  -6.891  -3.169
  428   HG23  ILE  52          HG23      ILE  52   4.877  -5.257  -3.538
  429   HD11  ILE  52          HD11      ILE  52   2.187  -9.025  -1.583
  430   HD12  ILE  52          HD12      ILE  52   2.783  -8.223  -3.039
  431   HD13  ILE  52          HD13      ILE  52   1.600  -7.414  -2.007
  432    H    CYS  53           H        CYS  53   6.975  -4.804  -2.467
  433    HA   CYS  53           HA       CYS  53   6.764  -1.963  -1.760
  434    HB2  CYS  53           HB2      CYS  53   8.974  -3.323  -3.314
  435    HB3  CYS  53           HB3      CYS  53   9.022  -1.733  -2.562
  436    H    ILE  54           H        ILE  54   5.866  -0.575  -3.120
  437    HA   ILE  54           HA       ILE  54   5.616  -1.335  -5.949
  438    HB   ILE  54           HB       ILE  54   3.513  -0.523  -4.000
  439   HG12  ILE  54          HG12      ILE  54   3.627  -2.432  -6.334
  440   HG13  ILE  54          HG13      ILE  54   3.676  -2.844  -4.624
  441   HG21  ILE  54          HG21      ILE  54   3.333   0.125  -6.930
  442   HG22  ILE  54          HG22      ILE  54   3.389   1.277  -5.594
  443   HG23  ILE  54          HG23      ILE  54   2.003   0.199  -5.772
  444   HD11  ILE  54          HD11      ILE  54   1.382  -2.019  -4.374
  445   HD12  ILE  54          HD12      ILE  54   1.496  -3.318  -5.560
  446   HD13  ILE  54          HD13      ILE  54   1.342  -1.645  -6.098
  447    H    HIS  55           H        HIS  55   5.732   0.271  -7.456
  448    HA   HIS  55           HA       HIS  55   7.125   2.663  -6.874
  449    HB2  HIS  55           HB2      HIS  55   7.147   1.425  -9.060
  450    HB3  HIS  55           HB3      HIS  55   5.494   1.961  -9.332
  451    HD1  HIS  55           HD1      HIS  55   5.418   3.839 -10.927
  452    HD2  HIS  55           HD2      HIS  55   8.871   3.916  -8.608
  453    HE1  HIS  55           HE1      HIS  55   6.734   5.818 -11.733
  454    HE2  HIS  55           HE2      HIS  55   8.915   5.692 -10.486
  455    HA   PRO  56           HA       PRO  56   3.816   5.173  -5.227
  456    HB2  PRO  56           HB2      PRO  56   5.317   7.330  -6.649
  457    HB3  PRO  56           HB3      PRO  56   4.717   7.287  -4.985
  458    HG2  PRO  56           HG2      PRO  56   7.294   6.894  -5.501
  459    HG3  PRO  56           HG3      PRO  56   6.464   5.953  -4.250
  460    HD2  PRO  56           HD2      PRO  56   7.328   5.131  -6.982
  461    HD3  PRO  56           HD3      PRO  56   7.241   4.176  -5.488
  462    H    GLN  57           H        GLN  57   4.889   5.885  -8.545
  463    HA   GLN  57           HA       GLN  57   2.131   6.488  -9.270
  464    HB2  GLN  57           HB2      GLN  57   4.661   6.603 -10.930
  465    HB3  GLN  57           HB3      GLN  57   3.064   7.103 -11.475
  466    HG2  GLN  57           HG2      GLN  57   4.539   8.334  -9.156
  467    HG3  GLN  57           HG3      GLN  57   4.536   8.976 -10.798
  468   HE21  GLN  57          HE21      GLN  57   2.642   8.416  -7.939
  469   HE22  GLN  57          HE22      GLN  57   1.349   9.484  -8.343
  470    H    ASN  58           H        ASN  58   1.452   4.314  -8.811
  471    HA   ASN  58           HA       ASN  58   1.810   2.578 -11.152
  472    HB2  ASN  58           HB2      ASN  58   3.265   1.889  -9.122
  473    HB3  ASN  58           HB3      ASN  58   1.753   1.408  -8.373
  474   HD21  ASN  58          HD21      ASN  58   0.755  -0.435  -9.017
  475   HD22  ASN  58          HD22      ASN  58   1.425  -1.544 -10.161
  476    HA   PRO  59           HA       PRO  59  -2.597   2.734 -11.139
  477    HB2  PRO  59           HB2      PRO  59  -2.344  -0.010 -12.278
  478    HB3  PRO  59           HB3      PRO  59  -3.241   1.387 -12.887
  479    HG2  PRO  59           HG2      PRO  59  -0.949   0.661 -14.018
  480    HG3  PRO  59           HG3      PRO  59  -1.349   2.374 -13.793
  481    HD2  PRO  59           HD2      PRO  59   0.542   0.649 -12.257
  482    HD3  PRO  59           HD3      PRO  59   0.681   2.363 -12.700
  483    H    SER  60           H        SER  60  -0.963  -0.172  -9.953
  484    HA   SER  60           HA       SER  60  -3.195  -1.360  -8.727
  485    HB2  SER  60           HB2      SER  60  -0.950  -2.446  -9.226
  486    HB3  SER  60           HB3      SER  60  -0.348  -1.647  -7.773
  487    HG   SER  60           HG       SER  60  -2.325  -2.731  -6.786
  488    H    LEU  61           H        LEU  61  -1.067   1.209  -7.675
  489    HA   LEU  61           HA       LEU  61  -1.805   0.980  -4.893
  490    HB2  LEU  61           HB2      LEU  61   0.406   1.903  -6.017
  491    HB3  LEU  61           HB3      LEU  61  -0.488   3.407  -6.053
  492    HG   LEU  61           HG       LEU  61   1.013   3.262  -4.114
  493   HD11  LEU  61          HD11      LEU  61  -1.899   3.200  -3.362
  494   HD12  LEU  61          HD12      LEU  61  -0.991   4.611  -3.909
  495   HD13  LEU  61          HD13      LEU  61  -0.590   3.843  -2.371
  496   HD21  LEU  61          HD21      LEU  61   0.533   1.687  -2.294
  497   HD22  LEU  61          HD22      LEU  61   1.009   0.864  -3.780
  498   HD23  LEU  61          HD23      LEU  61  -0.687   0.911  -3.306
  499    H    SER  62           H        SER  62  -2.512   3.166  -7.610
  500    HA   SER  62           HA       SER  62  -4.255   4.848  -6.153
  501    HB2  SER  62           HB2      SER  62  -5.122   5.471  -8.454
  502    HB3  SER  62           HB3      SER  62  -3.385   5.674  -8.216
  503    HG   SER  62           HG       SER  62  -4.772   3.729  -9.703
  504    H    GLN  63           H        GLN  63  -4.839   2.052  -8.222
  505    HA   GLN  63           HA       GLN  63  -7.623   1.948  -7.946
  506    HB2  GLN  63           HB2      GLN  63  -5.553  -0.169  -8.450
  507    HB3  GLN  63           HB3      GLN  63  -7.269  -0.548  -8.387
  508    HG2  GLN  63           HG2      GLN  63  -7.658   1.035 -10.231
  509    HG3  GLN  63           HG3      GLN  63  -5.925   1.344 -10.308
  510   HE21  GLN  63          HE21      GLN  63  -5.270  -1.478  -9.758
  511   HE22  GLN  63          HE22      GLN  63  -5.601  -2.333 -11.225
  512    H    TRP  64           H        TRP  64  -5.028   1.016  -5.818
  513    HA   TRP  64           HA       TRP  64  -6.463  -0.661  -4.104
  514    HB2  TRP  64           HB2      TRP  64  -4.000  -0.463  -4.032
  515    HB3  TRP  64           HB3      TRP  64  -4.167   1.167  -3.393
  516    HD1  TRP  64           HD1      TRP  64  -3.332   0.971  -0.973
  517    HE1  TRP  64           HE1      TRP  64  -3.970  -0.457   1.067
  518    HE3  TRP  64           HE3      TRP  64  -6.575  -2.302  -3.218
  519    HZ2  TRP  64           HZ2      TRP  64  -5.621  -2.650   1.652
  520    HZ3  TRP  64           HZ3      TRP  64  -7.642  -4.021  -1.838
  521    HH2  TRP  64           HH2      TRP  64  -7.173  -4.190   0.545
  522    H    PHE  65           H        PHE  65  -5.934   2.854  -3.981
  523    HA   PHE  65           HA       PHE  65  -7.298   3.391  -1.633
  524    HB2  PHE  65           HB2      PHE  65  -7.030   4.982  -4.170
  525    HB3  PHE  65           HB3      PHE  65  -7.918   5.602  -2.781
  526    HD1  PHE  65           HD2      PHE  65  -6.726   5.919  -0.615
  527    HD2  PHE  65           HD1      PHE  65  -4.679   5.047  -4.238
  528    HE1  PHE  65           HE2      PHE  65  -4.629   6.731   0.379
  529    HE2  PHE  65           HE1      PHE  65  -2.578   5.858  -3.253
  530    HZ   PHE  65           HZ       PHE  65  -2.548   6.709  -0.944
  531    H    GLU  66           H        GLU  66  -8.588   2.902  -4.886
  532    HA   GLU  66           HA       GLU  66 -11.292   3.405  -4.069
  533    HB2  GLU  66           HB2      GLU  66 -10.305   2.014  -6.561
  534    HB3  GLU  66           HB3      GLU  66 -11.918   2.665  -6.297
  535    HG2  GLU  66           HG2      GLU  66 -10.791   4.919  -5.989
  536    HG3  GLU  66           HG3      GLU  66  -9.342   4.159  -6.645
  537    H    HIS  67           H        HIS  67  -9.295   0.545  -4.536
  538    HA   HIS  67           HA       HIS  67 -11.440  -1.310  -4.287
  539    HB2  HIS  67           HB2      HIS  67  -8.453  -1.586  -4.254
  540    HB3  HIS  67           HB3      HIS  67  -9.473  -2.948  -3.808
  541    HD1  HIS  67           HD1      HIS  67  -9.228  -4.460  -5.821
  542    HD2  HIS  67           HD2      HIS  67 -10.134  -0.524  -6.848
  543    HE1  HIS  67           HE1      HIS  67  -9.627  -4.472  -8.303
  544    HE2  HIS  67           HE2      HIS  67 -10.377  -2.126  -8.859
  545    H    GLN  68           H        GLN  68  -8.979  -0.138  -1.980
  546    HA   GLN  68           HA       GLN  68  -9.850  -1.775   0.162
  547    HB2  GLN  68           HB2      GLN  68  -8.508  -0.377   1.592
  548    HB3  GLN  68           HB3      GLN  68  -7.641  -0.626   0.083
  549    HG2  GLN  68           HG2      GLN  68  -8.423   1.597  -0.675
  550    HG3  GLN  68           HG3      GLN  68  -9.153   1.842   0.910
  551   HE21  GLN  68          HE21      GLN  68  -6.935   0.420   2.244
  552   HE22  GLN  68          HE22      GLN  68  -5.611   1.527   2.237
  553    H    GLU  69           H        GLU  69 -10.873   1.290  -1.088
  554    HA   GLU  69           HA       GLU  69 -12.510   2.231   0.962
  555    HB2  GLU  69           HB2      GLU  69 -11.927   3.458  -1.122
  556    HB3  GLU  69           HB3      GLU  69 -12.978   2.382  -2.026
  557    HG2  GLU  69           HG2      GLU  69 -14.128   4.427  -1.674
  558    HG3  GLU  69           HG3      GLU  69 -14.884   3.195  -0.666
  559    H    ARG  70           H        ARG  70 -12.994  -0.263  -1.431
  560    HA   ARG  70           HA       ARG  70 -15.672  -0.826  -0.341
  561    HB2  ARG  70           HB2      ARG  70 -16.111  -1.918  -2.540
  562    HB3  ARG  70           HB3      ARG  70 -15.792  -0.192  -2.664
  563    HG2  ARG  70           HG2      ARG  70 -13.422  -0.764  -3.243
  564    HG3  ARG  70           HG3      ARG  70 -13.927  -2.453  -3.335
  565    HD2  ARG  70           HD2      ARG  70 -15.092  -0.199  -4.964
  566    HD3  ARG  70           HD3      ARG  70 -13.869  -1.332  -5.534
  567    HE   ARG  70           HE       ARG  70 -16.056  -2.806  -4.595
  568   HH11  ARG  70          HH11      ARG  70 -15.254  -0.585  -7.196
  569   HH12  ARG  70          HH12      ARG  70 -16.412  -1.276  -8.301
  570   HH21  ARG  70          HH21      ARG  70 -17.563  -3.711  -6.055
  571   HH22  ARG  70          HH22      ARG  70 -17.718  -3.044  -7.653
  572    H    LYS  71           H        LYS  71 -13.084  -1.787   0.740
  573    HA   LYS  71           HA       LYS  71 -13.585  -4.658   0.563
  574    HB2  LYS  71           HB2      LYS  71 -11.719  -3.583  -1.094
  575    HB3  LYS  71           HB3      LYS  71 -10.733  -3.943   0.312
  576    HG2  LYS  71           HG2      LYS  71 -11.325  -6.267   0.203
  577    HG3  LYS  71           HG3      LYS  71 -12.484  -5.949  -1.093
  578    HD2  LYS  71           HD2      LYS  71  -9.534  -5.359  -1.321
  579    HD3  LYS  71           HD3      LYS  71 -10.261  -6.882  -1.836
  580    HE2  LYS  71           HE2      LYS  71 -11.249  -4.232  -2.851
  581    HE3  LYS  71           HE3      LYS  71  -9.895  -5.068  -3.607
  582    HZ1  LYS  71           HZ1      LYS  71 -11.329  -6.970  -4.007
  583    HZ2  LYS  71           HZ2      LYS  71 -11.983  -5.573  -4.710
  584    HZ3  LYS  71           HZ3      LYS  71 -12.637  -6.174  -3.269
  585    H    LEU  72           H        LEU  72 -11.029  -5.327   1.833
  586    HA   LEU  72           HA       LEU  72 -10.413  -5.822   3.953
  587    HB2  LEU  72           HB2      LEU  72 -10.766  -2.838   4.165
  588    HB3  LEU  72           HB3      LEU  72 -10.096  -3.810   5.459
  589    HG   LEU  72           HG       LEU  72  -8.273  -4.513   3.893
  590   HD11  LEU  72          HD11      LEU  72  -9.399  -4.098   1.783
  591   HD12  LEU  72          HD12      LEU  72  -7.909  -3.160   1.889
  592   HD13  LEU  72          HD13      LEU  72  -9.467  -2.374   2.143
  593   HD21  LEU  72          HD21      LEU  72  -7.049  -2.440   4.081
  594   HD22  LEU  72          HD22      LEU  72  -8.003  -2.718   5.540
  595   HD23  LEU  72          HD23      LEU  72  -8.552  -1.550   4.336
  596    H    HIS  73           H        HIS  73 -12.019  -3.317   5.582
  597    HA   HIS  73           HA       HIS  73 -14.439  -4.827   6.114
  598    HB2  HIS  73           HB2      HIS  73 -12.563  -5.653   7.661
  599    HB3  HIS  73           HB3      HIS  73 -12.629  -4.063   8.411
  600    HD1  HIS  73           HD1      HIS  73 -14.775  -7.141   7.891
  601    HD2  HIS  73           HD2      HIS  73 -14.606  -3.748  10.295
  602    HE1  HIS  73           HE1      HIS  73 -16.515  -7.480   9.671
  603    HE2  HIS  73           HE2      HIS  73 -16.253  -5.514  11.224
  604    H    GLY  74           H        GLY  74 -13.328  -2.174   5.080
  605    HA2  GLY  74           HA2      GLY  74 -14.198  -0.037   4.982
  606    HA3  GLY  74           HA3      GLY  74 -15.331  -0.478   6.249
  607    H    THR  75           H        THR  75 -12.497  -1.364   7.504
  608    HA   THR  75           HA       THR  75 -12.381   0.932   9.225
  609    HB   THR  75           HB       THR  75 -10.507  -0.364  10.312
  610    HG1  THR  75           HG1      THR  75  -9.925  -1.588   8.442
  611   HG21  THR  75          HG21      THR  75 -11.991  -2.081  11.260
  612   HG22  THR  75          HG22      THR  75 -13.145  -1.792   9.961
  613   HG23  THR  75          HG23      THR  75 -12.803  -0.520  11.132
  614    H    LEU  76           H        LEU  76 -11.451   2.707   8.395
  615    HA   LEU  76           HA       LEU  76  -8.678   2.514   7.538
  616    HB2  LEU  76           HB2      LEU  76 -10.892   3.676   5.882
  617    HB3  LEU  76           HB3      LEU  76  -9.241   4.224   5.699
  618    HG   LEU  76           HG       LEU  76 -10.163   1.374   5.332
  619   HD11  LEU  76          HD11      LEU  76  -9.376   3.456   3.293
  620   HD12  LEU  76          HD12      LEU  76 -11.012   2.855   3.577
  621   HD13  LEU  76          HD13      LEU  76  -9.768   1.770   2.955
  622   HD21  LEU  76          HD21      LEU  76  -7.841   1.625   6.136
  623   HD22  LEU  76          HD22      LEU  76  -7.497   2.672   4.758
  624   HD23  LEU  76          HD23      LEU  76  -7.924   0.979   4.494
  625    HA   PRO  77           HA       PRO  77  -8.422   6.310   9.779
  626    HB2  PRO  77           HB2      PRO  77  -5.924   6.958   9.238
  627    HB3  PRO  77           HB3      PRO  77  -6.273   5.386   9.975
  628    HG2  PRO  77           HG2      PRO  77  -5.686   6.027   7.115
  629    HG3  PRO  77           HG3      PRO  77  -5.056   4.707   8.115
  630    HD2  PRO  77           HD2      PRO  77  -7.219   4.500   6.368
  631    HD3  PRO  77           HD3      PRO  77  -6.868   3.392   7.710
  632    H    LYS  78           H        LYS  78  -7.239   8.635   9.247
  633    HA   LYS  78           HA       LYS  78  -8.680   9.642   6.910
  634    HB2  LYS  78           HB2      LYS  78  -7.444  10.972   9.301
  635    HB3  LYS  78           HB3      LYS  78  -7.894  11.901   7.878
  636    HG2  LYS  78           HG2      LYS  78  -9.768  10.187   9.499
  637    HG3  LYS  78           HG3      LYS  78  -9.617  11.941   9.623
  638    HD2  LYS  78           HD2      LYS  78 -10.202  12.073   7.193
  639    HD3  LYS  78           HD3      LYS  78 -10.543  10.343   7.242
  640    HE2  LYS  78           HE2      LYS  78 -12.596  11.598   7.496
  641    HE3  LYS  78           HE3      LYS  78 -12.222  10.742   8.991
  642    HZ1  LYS  78           HZ1      LYS  78 -12.976  13.064   9.316
  643    HZ2  LYS  78           HZ2      LYS  78 -11.584  13.606   8.517
  644    HZ3  LYS  78           HZ3      LYS  78 -11.447  12.755   9.982
  645    H    LEU  79           H        LEU  79  -7.363   8.925   5.242
  646    HA   LEU  79           HA       LEU  79  -4.603   9.905   5.206
  647    HB2  LEU  79           HB2      LEU  79  -5.995   8.144   3.197
  648    HB3  LEU  79           HB3      LEU  79  -4.286   8.508   3.255
  649    HG   LEU  79           HG       LEU  79  -5.772   6.963   5.375
  650   HD11  LEU  79          HD11      LEU  79  -3.926   5.981   3.204
  651   HD12  LEU  79          HD12      LEU  79  -5.672   5.740   3.259
  652   HD13  LEU  79          HD13      LEU  79  -4.643   4.999   4.485
  653   HD21  LEU  79          HD21      LEU  79  -3.834   8.154   6.235
  654   HD22  LEU  79          HD22      LEU  79  -2.829   7.468   4.960
  655   HD23  LEU  79          HD23      LEU  79  -3.529   6.418   6.192
  656    H    ASN  80           H        ASN  80  -4.230  11.794   4.323
  657    HA   ASN  80           HA       ASN  80  -6.029  13.069   2.488
  658    HB2  ASN  80           HB2      ASN  80  -4.258  14.815   2.367
  659    HB3  ASN  80           HB3      ASN  80  -4.707  14.425   4.027
  660   HD21  ASN  80          HD21      ASN  80  -2.337  13.735   1.514
  661   HD22  ASN  80          HD22      ASN  80  -1.003  13.454   2.592
  662    H    PHE  81           H        PHE  81  -4.853  10.486   1.742
  663    HA   PHE  81           HA       PHE  81  -2.999  11.181  -0.412
  664    HB2  PHE  81           HB2      PHE  81  -3.639   8.534   0.902
  665    HB3  PHE  81           HB3      PHE  81  -2.560   8.710  -0.479
  666    HD1  PHE  81           HD2      PHE  81  -2.998   9.375   3.099
  667    HD2  PHE  81           HD1      PHE  81  -0.366   9.649  -0.234
  668    HE1  PHE  81           HE2      PHE  81  -1.123   9.835   4.623
  669    HE2  PHE  81           HE1      PHE  81   1.513  10.109   1.285
  670    HZ   PHE  81           HZ       PHE  81   1.135  10.202   3.715
  671    H    GLY  82           H        GLY  82  -6.125  11.224  -0.227
  672    HA2  GLY  82           HA2      GLY  82  -7.005   9.443  -2.277
  673    HA3  GLY  82           HA3      GLY  82  -7.866  10.861  -1.692
  674    H    MET  83           H        MET  83  -5.172  12.258  -2.307
  675    HA   MET  83           HA       MET  83  -5.871  13.344  -4.814
  676    HB2  MET  83           HB2      MET  83  -3.596  14.430  -4.694
  677    HB3  MET  83           HB3      MET  83  -4.657  14.740  -3.331
  678    HG2  MET  83           HG2      MET  83  -2.477  14.390  -2.479
  679    HG3  MET  83           HG3      MET  83  -3.426  12.972  -2.064
  680    HE1  MET  83           HE1      MET  83  -1.497  11.272  -1.605
  681    HE2  MET  83           HE2      MET  83  -0.472  12.709  -1.644
  682    HE3  MET  83           HE3      MET  83  -0.002  11.264  -2.538
  683    H    LEU  84           H        LEU  84  -4.428  10.431  -4.073
  684    HA   LEU  84           HA       LEU  84  -2.796  10.254  -6.459
  685    HB2  LEU  84           HB2      LEU  84  -3.470   8.343  -4.248
  686    HB3  LEU  84           HB3      LEU  84  -2.628   7.811  -5.690
  687    HG   LEU  84           HG       LEU  84  -1.633   9.947  -3.804
  688   HD11  LEU  84          HD11      LEU  84  -0.795   7.072  -4.121
  689   HD12  LEU  84          HD12      LEU  84  -1.655   7.757  -2.744
  690   HD13  LEU  84          HD13      LEU  84  -0.005   8.270  -3.096
  691   HD21  LEU  84          HD21      LEU  84   0.476   9.674  -5.036
  692   HD22  LEU  84          HD22      LEU  84  -0.828  10.259  -6.073
  693   HD23  LEU  84          HD23      LEU  84  -0.330   8.568  -6.150
  694    H    ARG  85           H        ARG  85  -6.038  10.148  -5.952
  695    HA   ARG  85           HA       ARG  85  -6.654   7.819  -7.527
  696    HB2  ARG  85           HB2      ARG  85  -8.422  10.048  -6.533
  697    HB3  ARG  85           HB3      ARG  85  -9.005   8.640  -7.408
  698    HG2  ARG  85           HG2      ARG  85  -8.050   7.212  -5.601
  699    HG3  ARG  85           HG3      ARG  85  -7.685   8.688  -4.705
  700    HD2  ARG  85           HD2      ARG  85  -9.772   7.776  -3.923
  701    HD3  ARG  85           HD3      ARG  85 -10.078   9.284  -4.783
  702    HE   ARG  85           HE       ARG  85 -10.332   6.864  -6.359
  703   HH11  ARG  85          HH11      ARG  85 -11.966   9.287  -4.425
  704   HH12  ARG  85          HH12      ARG  85 -13.546   8.912  -5.061
  705   HH21  ARG  85          HH21      ARG  85 -12.397   6.407  -7.236
  706   HH22  ARG  85          HH22      ARG  85 -13.774   7.322  -6.687
  707    H    LYS  86           H        LYS  86  -5.221   8.560  -9.279
  708    HA   LYS  86           HA       LYS  86  -5.025   9.052 -11.481
  709    HB2  LYS  86           HB2      LYS  86  -8.017   9.442 -11.324
  710    HB3  LYS  86           HB3      LYS  86  -7.090   9.388 -12.819
  711    HG2  LYS  86           HG2      LYS  86  -7.345   7.165 -10.805
  712    HG3  LYS  86           HG3      LYS  86  -8.139   7.248 -12.378
  713    HD2  LYS  86           HD2      LYS  86  -6.040   7.108 -13.520
  714    HD3  LYS  86           HD3      LYS  86  -5.149   7.276 -12.008
  715    HE2  LYS  86           HE2      LYS  86  -5.987   5.144 -11.238
  716    HE3  LYS  86           HE3      LYS  86  -6.979   4.981 -12.684
  717    HZ1  LYS  86           HZ1      LYS  86  -4.005   5.091 -12.648
  718    HZ2  LYS  86           HZ2      LYS  86  -4.980   4.886 -14.019
  719    HZ3  LYS  86           HZ3      LYS  86  -4.942   3.685 -12.828
  720    H    MET  87           H        MET  87  -5.261  11.210  -9.272
  721    HA   MET  87           HA       MET  87  -5.763  13.563 -10.909
  722    HB2  MET  87           HB2      MET  87  -4.843  13.375  -8.032
  723    HB3  MET  87           HB3      MET  87  -5.417  14.823  -8.850
  724    HG2  MET  87           HG2      MET  87  -7.625  13.895  -9.047
  725    HG3  MET  87           HG3      MET  87  -7.076  12.357  -8.385
  726    HE1  MET  87           HE1      MET  87  -9.295  13.540  -5.456
  727    HE2  MET  87           HE2      MET  87  -8.864  12.210  -6.531
  728    HE3  MET  87           HE3      MET  87  -9.618  13.664  -7.185
  729    H    GLY  88           H        GLY  88  -3.190  11.560  -9.935
  730    HA2  GLY  88           HA2      GLY  88  -1.156  13.575 -10.516
  731    HA3  GLY  88           HA3      GLY  88  -0.869  11.962  -9.874
  Start of MODEL   20
    1    H1   PHE   1           HT1      PHE   1  12.930 -13.558   5.990
    2    H2   PHE   1           HT2      PHE   1  11.291 -13.797   5.640
    3    H3   PHE   1           HT3      PHE   1  11.739 -12.876   6.988
    4    HA   PHE   1           HA       PHE   1  12.723 -11.206   5.560
    5    HB2  PHE   1           HB2      PHE   1  13.338 -12.641   3.684
    6    HB3  PHE   1           HB3      PHE   1  11.646 -12.991   3.358
    7    HD1  PHE   1           HD1      PHE   1  14.106 -10.207   3.464
    8    HD2  PHE   1           HD2      PHE   1  10.448 -11.675   1.861
    9    HE1  PHE   1           HE1      PHE   1  14.022  -8.296   1.916
   10    HE2  PHE   1           HE2      PHE   1  10.356  -9.770   0.308
   11    HZ   PHE   1           HZ       PHE   1  12.146  -8.075   0.335
   12    H    LEU   2           H        LEU   2  11.352  -9.892   6.543
   13    HA   LEU   2           HA       LEU   2   8.786  -9.478   5.211
   14    HB2  LEU   2           HB2      LEU   2   8.218 -10.786   7.189
   15    HB3  LEU   2           HB3      LEU   2   9.139  -9.693   8.205
   16    HG   LEU   2           HG       LEU   2   7.542  -7.866   7.515
   17   HD11  LEU   2          HD11      LEU   2   5.946 -10.198   6.479
   18   HD12  LEU   2          HD12      LEU   2   6.671  -8.920   5.504
   19   HD13  LEU   2          HD13      LEU   2   5.375  -8.537   6.638
   20   HD21  LEU   2          HD21      LEU   2   5.800  -8.573   9.067
   21   HD22  LEU   2          HD22      LEU   2   7.410  -8.943   9.684
   22   HD23  LEU   2          HD23      LEU   2   6.411 -10.227   9.001
   23    H    LEU   3           H        LEU   3   8.431  -7.355   4.827
   24    HA   LEU   3           HA       LEU   3  10.307  -5.396   5.674
   25    HB2  LEU   3           HB2      LEU   3   7.663  -5.271   4.248
   26    HB3  LEU   3           HB3      LEU   3   8.565  -3.828   4.663
   27    HG   LEU   3           HG       LEU   3   8.930  -4.457   2.355
   28   HD11  LEU   3          HD11      LEU   3  10.725  -3.321   3.496
   29   HD12  LEU   3          HD12      LEU   3  11.401  -4.512   2.384
   30   HD13  LEU   3          HD13      LEU   3  11.339  -4.854   4.115
   31   HD21  LEU   3          HD21      LEU   3   8.584  -6.862   2.520
   32   HD22  LEU   3          HD22      LEU   3  10.097  -7.016   3.412
   33   HD23  LEU   3          HD23      LEU   3  10.115  -6.485   1.730
   34    HA   PRO   4           HA       PRO   4   8.472  -5.054   9.738
   35    HB2  PRO   4           HB2      PRO   4  10.300  -2.704   9.764
   36    HB3  PRO   4           HB3      PRO   4  10.135  -4.015  10.939
   37    HG2  PRO   4           HG2      PRO   4  12.213  -3.958   9.292
   38    HG3  PRO   4           HG3      PRO   4  11.401  -5.492   9.661
   39    HD2  PRO   4           HD2      PRO   4  11.191  -3.783   7.217
   40    HD3  PRO   4           HD3      PRO   4  11.267  -5.557   7.354
   41    HA   PRO   5           HA       PRO   5   5.232  -2.155   8.840
   42    HB2  PRO   5           HB2      PRO   5   4.567  -1.726  11.526
   43    HB3  PRO   5           HB3      PRO   5   3.893  -2.978  10.479
   44    HG2  PRO   5           HG2      PRO   5   6.061  -3.169  12.511
   45    HG3  PRO   5           HG3      PRO   5   4.831  -4.363  12.058
   46    HD2  PRO   5           HD2      PRO   5   7.385  -4.591  11.260
   47    HD3  PRO   5           HD3      PRO   5   6.032  -5.092  10.223
   48    H    SER   6           H        SER   6   5.702  -0.150   8.245
   49    HA   SER   6           HA       SER   6   6.414   2.002   8.257
   50    HB2  SER   6           HB2      SER   6   6.401   1.672  11.268
   51    HB3  SER   6           HB3      SER   6   6.564   3.205  10.409
   52    HG   SER   6           HG       SER   6   4.497   2.839   9.496
   53    H    THR   7           H        THR   7   8.263  -0.265   8.199
   54    HA   THR   7           HA       THR   7  10.673   1.355   8.405
   55    HB   THR   7           HB       THR   7  10.653  -1.464   9.504
   56    HG1  THR   7           HG1      THR   7   9.920   0.900  10.679
   57   HG21  THR   7          HG21      THR   7  12.847  -0.862  10.381
   58   HG22  THR   7          HG22      THR   7  12.689   0.759   9.706
   59   HG23  THR   7          HG23      THR   7  12.804  -0.636   8.632
   60    H    ALA   8           H        ALA   8  10.051   1.284   6.094
   61    HA   ALA   8           HA       ALA   8  10.649  -1.317   4.851
   62    HB1  ALA   8           HB1      ALA   8   9.060  -0.772   3.102
   63    HB2  ALA   8           HB2      ALA   8   8.735   0.789   3.855
   64    HB3  ALA   8           HB3      ALA   8   8.283  -0.700   4.682
   65    H    CYS   9           H        CYS   9  12.875  -0.714   4.674
   66    HA   CYS   9           HA       CYS   9  13.521   1.390   2.809
   67    HB2  CYS   9           HB2      CYS   9  15.210  -0.766   4.081
   68    HB3  CYS   9           HB3      CYS   9  15.838   0.386   2.906
   69    H    CYS  10           H        CYS  10  12.246   0.792   1.063
   70    HA   CYS  10           HA       CYS  10  12.400  -1.711  -0.205
   71    HB2  CYS  10           HB2      CYS  10  11.565   1.010  -1.176
   72    HB3  CYS  10           HB3      CYS  10  11.540  -0.407  -2.225
   73    H    THR  11           H        THR  11  13.892  -2.590  -1.384
   74    HA   THR  11           HA       THR  11  15.638  -0.839  -2.966
   75    HB   THR  11           HB       THR  11  16.893  -1.858  -1.087
   76    HG1  THR  11           HG1      THR  11  17.699  -3.061  -3.542
   77   HG21  THR  11          HG21      THR  11  15.682  -3.889  -0.730
   78   HG22  THR  11          HG22      THR  11  17.345  -4.304  -1.147
   79   HG23  THR  11          HG23      THR  11  16.069  -4.463  -2.354
   80    H    GLN  12           H        GLN  12  13.079  -2.494  -3.150
   81    HA   GLN  12           HA       GLN  12  13.590  -3.590  -5.780
   82    HB2  GLN  12           HB2      GLN  12  11.989  -5.560  -4.948
   83    HB3  GLN  12           HB3      GLN  12  13.740  -5.669  -4.837
   84    HG2  GLN  12           HG2      GLN  12  12.862  -6.420  -2.773
   85    HG3  GLN  12           HG3      GLN  12  13.560  -4.829  -2.485
   86   HE21  GLN  12          HE21      GLN  12  12.364  -4.303  -0.722
   87   HE22  GLN  12          HE22      GLN  12  10.657  -4.041  -0.770
   88    H    LEU  13           H        LEU  13  11.777  -3.543  -7.114
   89    HA   LEU  13           HA       LEU  13   9.316  -2.441  -5.945
   90    HB2  LEU  13           HB2      LEU  13  10.633  -1.503  -8.504
   91    HB3  LEU  13           HB3      LEU  13   9.080  -0.957  -7.901
   92    HG   LEU  13           HG       LEU  13  11.689  -0.544  -6.434
   93   HD11  LEU  13          HD11      LEU  13  10.153   1.408  -8.143
   94   HD12  LEU  13          HD12      LEU  13  11.682   0.648  -8.582
   95   HD13  LEU  13          HD13      LEU  13  11.608   1.752  -7.209
   96   HD21  LEU  13          HD21      LEU  13   9.730  -0.533  -4.991
   97   HD22  LEU  13          HD22      LEU  13   8.940   0.638  -6.048
   98   HD23  LEU  13          HD23      LEU  13  10.389   1.095  -5.152
   99    H    TYR  14           H        TYR  14   7.613  -3.649  -6.455
  100    HA   TYR  14           HA       TYR  14   7.850  -6.002  -7.945
  101    HB2  TYR  14           HB2      TYR  14   6.110  -5.326  -6.142
  102    HB3  TYR  14           HB3      TYR  14   5.197  -4.665  -7.493
  103    HD1  TYR  14           HD1      TYR  14   6.897  -7.800  -6.421
  104    HD2  TYR  14           HD2      TYR  14   3.706  -6.053  -8.621
  105    HE1  TYR  14           HE1      TYR  14   5.983 -10.038  -6.857
  106    HE2  TYR  14           HE2      TYR  14   2.782  -8.289  -9.065
  107    HH   TYR  14           HH       TYR  14   3.826 -11.067  -7.409
  108    H    ARG  15           H        ARG  15   6.169  -2.979  -8.800
  109    HA   ARG  15           HA       ARG  15   5.786  -1.938 -10.783
  110    HB2  ARG  15           HB2      ARG  15   8.235  -2.328 -11.020
  111    HB3  ARG  15           HB3      ARG  15   7.884  -3.829 -11.858
  112    HG2  ARG  15           HG2      ARG  15   6.803  -2.600 -13.649
  113    HG3  ARG  15           HG3      ARG  15   7.093  -1.081 -12.797
  114    HD2  ARG  15           HD2      ARG  15   8.735  -1.601 -14.614
  115    HD3  ARG  15           HD3      ARG  15   9.448  -1.307 -13.028
  116    HE   ARG  15           HE       ARG  15   9.065  -4.039 -13.204
  117   HH11  ARG  15          HH11      ARG  15  10.890  -1.605 -14.930
  118   HH12  ARG  15          HH12      ARG  15  12.156  -2.697 -15.392
  119   HH21  ARG  15          HH21      ARG  15  10.727  -5.469 -13.787
  120   HH22  ARG  15          HH22      ARG  15  12.053  -4.903 -14.752
  121    H    LYS  16           H        LYS  16   4.378  -4.424 -10.008
  122    HA   LYS  16           HA       LYS  16   3.083  -4.886 -12.584
  123    HB2  LYS  16           HB2      LYS  16   4.292  -6.956 -10.804
  124    HB3  LYS  16           HB3      LYS  16   2.781  -7.342 -11.613
  125    HG2  LYS  16           HG2      LYS  16   5.320  -6.476 -12.984
  126    HG3  LYS  16           HG3      LYS  16   4.732  -8.135 -12.856
  127    HD2  LYS  16           HD2      LYS  16   2.638  -7.380 -14.019
  128    HD3  LYS  16           HD3      LYS  16   3.435  -5.835 -14.308
  129    HE2  LYS  16           HE2      LYS  16   3.616  -7.280 -16.254
  130    HE3  LYS  16           HE3      LYS  16   5.205  -6.983 -15.547
  131    HZ1  LYS  16           HZ1      LYS  16   5.135  -9.139 -14.501
  132    HZ2  LYS  16           HZ2      LYS  16   4.863  -9.316 -16.167
  133    HZ3  LYS  16           HZ3      LYS  16   3.562  -9.418 -15.078
  134    HA   PRO  17           HA       PRO  17  -0.652  -4.353 -10.263
  135    HB2  PRO  17           HB2      PRO  17  -2.293  -6.145 -11.532
  136    HB3  PRO  17           HB3      PRO  17  -1.885  -4.554 -12.180
  137    HG2  PRO  17           HG2      PRO  17  -0.706  -7.224 -12.833
  138    HG3  PRO  17           HG3      PRO  17  -1.146  -5.898 -13.925
  139    HD2  PRO  17           HD2      PRO  17   1.400  -6.329 -13.189
  140    HD3  PRO  17           HD3      PRO  17   0.767  -4.688 -13.431
  141    H    LEU  18           H        LEU  18  -1.565  -5.183  -8.461
  142    HA   LEU  18           HA       LEU  18  -0.771  -7.890  -7.675
  143    HB2  LEU  18           HB2      LEU  18  -1.912  -5.608  -6.060
  144    HB3  LEU  18           HB3      LEU  18  -1.554  -7.194  -5.406
  145    HG   LEU  18           HG       LEU  18   0.463  -5.270  -6.569
  146   HD11  LEU  18          HD11      LEU  18  -0.006  -6.150  -3.722
  147   HD12  LEU  18          HD12      LEU  18  -0.405  -4.567  -4.392
  148   HD13  LEU  18          HD13      LEU  18   1.278  -5.081  -4.284
  149   HD21  LEU  18          HD21      LEU  18   1.074  -7.596  -6.981
  150   HD22  LEU  18          HD22      LEU  18   0.856  -7.963  -5.270
  151   HD23  LEU  18          HD23      LEU  18   2.135  -6.861  -5.780
  152    H    SER  19           H        SER  19  -2.442  -9.109  -6.365
  153    HA   SER  19           HA       SER  19  -4.947  -9.075  -7.866
  154    HB2  SER  19           HB2      SER  19  -3.848 -11.233  -6.058
  155    HB3  SER  19           HB3      SER  19  -5.221 -11.375  -7.158
  156    HG   SER  19           HG       SER  19  -3.675 -12.121  -8.427
  157    H    ASP  20           H        ASP  20  -6.906  -8.790  -6.924
  158    HA   ASP  20           HA       ASP  20  -7.046  -7.401  -4.477
  159    HB2  ASP  20           HB2      ASP  20  -9.156  -8.640  -6.223
  160    HB3  ASP  20           HB3      ASP  20  -9.561  -7.857  -4.700
  161    H    LYS  21           H        LYS  21  -7.294 -10.776  -5.248
  162    HA   LYS  21           HA       LYS  21  -8.625 -11.790  -3.031
  163    HB2  LYS  21           HB2      LYS  21  -6.165 -13.059  -4.239
  164    HB3  LYS  21           HB3      LYS  21  -7.511 -13.867  -3.452
  165    HG2  LYS  21           HG2      LYS  21  -8.925 -13.548  -5.287
  166    HG3  LYS  21           HG3      LYS  21  -7.872 -12.314  -5.990
  167    HD2  LYS  21           HD2      LYS  21  -6.134 -14.046  -6.326
  168    HD3  LYS  21           HD3      LYS  21  -7.258 -15.256  -5.711
  169    HE2  LYS  21           HE2      LYS  21  -7.897 -13.507  -8.068
  170    HE3  LYS  21           HE3      LYS  21  -7.051 -15.044  -8.234
  171    HZ1  LYS  21           HZ1      LYS  21  -9.367 -15.385  -8.600
  172    HZ2  LYS  21           HZ2      LYS  21  -9.781 -14.626  -7.146
  173    HZ3  LYS  21           HZ3      LYS  21  -8.959 -16.111  -7.120
  174    H    LEU  22           H        LEU  22  -5.142 -11.213  -3.449
  175    HA   LEU  22           HA       LEU  22  -4.563 -11.629  -0.680
  176    HB2  LEU  22           HB2      LEU  22  -2.298 -11.025  -1.231
  177    HB3  LEU  22           HB3      LEU  22  -2.928 -12.097  -2.460
  178    HG   LEU  22           HG       LEU  22  -3.419  -9.803  -3.705
  179   HD11  LEU  22          HD11      LEU  22  -1.623  -8.197  -3.330
  180   HD12  LEU  22          HD12      LEU  22  -1.044  -9.153  -1.966
  181   HD13  LEU  22          HD13      LEU  22  -2.628  -8.379  -1.891
  182   HD21  LEU  22          HD21      LEU  22  -1.299 -10.092  -4.873
  183   HD22  LEU  22          HD22      LEU  22  -2.069 -11.645  -4.552
  184   HD23  LEU  22          HD23      LEU  22  -0.709 -11.114  -3.562
  185    H    LEU  23           H        LEU  23  -5.294  -8.900  -2.706
  186    HA   LEU  23           HA       LEU  23  -4.105  -6.879  -1.176
  187    HB2  LEU  23           HB2      LEU  23  -5.211  -7.044  -3.622
  188    HB3  LEU  23           HB3      LEU  23  -6.514  -6.237  -2.774
  189    HG   LEU  23           HG       LEU  23  -5.084  -4.384  -2.212
  190   HD11  LEU  23          HD11      LEU  23  -2.992  -5.494  -1.816
  191   HD12  LEU  23          HD12      LEU  23  -2.758  -4.292  -3.082
  192   HD13  LEU  23          HD13      LEU  23  -2.892  -5.998  -3.501
  193   HD21  LEU  23          HD21      LEU  23  -6.162  -4.332  -4.388
  194   HD22  LEU  23          HD22      LEU  23  -4.795  -5.186  -5.106
  195   HD23  LEU  23          HD23      LEU  23  -4.580  -3.555  -4.466
  196    H    ARG  24           H        ARG  24  -7.362  -8.251  -1.051
  197    HA   ARG  24           HA       ARG  24  -8.507  -6.327   0.661
  198    HB2  ARG  24           HB2      ARG  24 -10.240  -7.990   1.069
  199    HB3  ARG  24           HB3      ARG  24  -9.819  -7.954  -0.639
  200    HG2  ARG  24           HG2      ARG  24  -8.366  -9.932  -0.265
  201    HG3  ARG  24           HG3      ARG  24  -8.964 -10.000   1.394
  202    HD2  ARG  24           HD2      ARG  24 -10.185 -11.551  -0.015
  203    HD3  ARG  24           HD3      ARG  24 -11.249 -10.261   0.547
  204    HE   ARG  24           HE       ARG  24 -10.102  -9.678  -2.001
  205   HH11  ARG  24          HH11      ARG  24 -12.611 -11.542  -0.424
  206   HH12  ARG  24          HH12      ARG  24 -13.673 -11.523  -1.805
  207   HH21  ARG  24          HH21      ARG  24 -11.486  -9.688  -3.838
  208   HH22  ARG  24          HH22      ARG  24 -13.016 -10.502  -3.742
  209    H    LYS  25           H        LYS  25  -6.082  -8.549   1.253
  210    HA   LYS  25           HA       LYS  25  -6.729  -8.849   4.088
  211    HB2  LYS  25           HB2      LYS  25  -4.806 -10.325   2.304
  212    HB3  LYS  25           HB3      LYS  25  -4.874 -10.551   4.050
  213    HG2  LYS  25           HG2      LYS  25  -7.170 -11.299   3.898
  214    HG3  LYS  25           HG3      LYS  25  -7.181 -10.982   2.163
  215    HD2  LYS  25           HD2      LYS  25  -5.387 -12.964   3.552
  216    HD3  LYS  25           HD3      LYS  25  -6.878 -13.369   2.698
  217    HE2  LYS  25           HE2      LYS  25  -5.877 -12.304   0.663
  218    HE3  LYS  25           HE3      LYS  25  -4.358 -12.195   1.551
  219    HZ1  LYS  25           HZ1      LYS  25  -5.827 -14.655   0.775
  220    HZ2  LYS  25           HZ2      LYS  25  -4.535 -14.659   1.868
  221    HZ3  LYS  25           HZ3      LYS  25  -4.286 -14.170   0.262
  222    H    VAL  26           H        VAL  26  -5.357  -6.579   2.409
  223    HA   VAL  26           HA       VAL  26  -2.888  -6.129   3.739
  224    HB   VAL  26           HB       VAL  26  -4.770  -4.415   2.123
  225   HG11  VAL  26          HG11      VAL  26  -3.839  -2.939   3.789
  226   HG12  VAL  26          HG12      VAL  26  -3.128  -2.606   2.211
  227   HG13  VAL  26          HG13      VAL  26  -2.214  -3.508   3.421
  228   HG21  VAL  26          HG21      VAL  26  -1.957  -5.391   1.677
  229   HG22  VAL  26          HG22      VAL  26  -2.853  -4.345   0.578
  230   HG23  VAL  26          HG23      VAL  26  -3.417  -5.986   0.887
  231    H    ILE  27           H        ILE  27  -2.488  -4.727   5.494
  232    HA   ILE  27           HA       ILE  27  -4.882  -4.119   7.101
  233    HB   ILE  27           HB       ILE  27  -3.356  -4.194   9.097
  234   HG12  ILE  27          HG12      ILE  27  -1.474  -5.466   7.094
  235   HG13  ILE  27          HG13      ILE  27  -1.212  -3.962   7.963
  236   HG21  ILE  27          HG21      ILE  27  -3.688  -6.730   7.509
  237   HG22  ILE  27          HG22      ILE  27  -4.894  -5.994   8.566
  238   HG23  ILE  27          HG23      ILE  27  -3.397  -6.631   9.246
  239   HD11  ILE  27          HD11      ILE  27  -1.404  -6.693   9.202
  240   HD12  ILE  27          HD12      ILE  27  -1.121  -5.180  10.065
  241   HD13  ILE  27          HD13      ILE  27   0.078  -5.780   8.918
  242    H    GLN  28           H        GLN  28  -1.792  -2.903   5.951
  243    HA   GLN  28           HA       GLN  28  -2.659  -0.192   6.617
  244    HB2  GLN  28           HB2      GLN  28  -0.052  -1.440   7.475
  245    HB3  GLN  28           HB3      GLN  28  -0.250   0.299   7.328
  246    HG2  GLN  28           HG2      GLN  28  -1.906  -1.471   9.112
  247    HG3  GLN  28           HG3      GLN  28  -0.501  -0.545   9.633
  248   HE21  GLN  28          HE21      GLN  28  -3.837  -0.431   8.716
  249   HE22  GLN  28          HE22      GLN  28  -4.114   1.220   9.164
  250    H    VAL  29           H        VAL  29  -1.565   1.450   5.407
  251    HA   VAL  29           HA       VAL  29  -0.119   0.461   3.037
  252    HB   VAL  29           HB       VAL  29  -1.828   2.946   3.196
  253   HG11  VAL  29          HG11      VAL  29   0.028   3.130   1.618
  254   HG12  VAL  29          HG12      VAL  29  -1.522   3.069   0.780
  255   HG13  VAL  29          HG13      VAL  29  -0.491   1.640   0.829
  256   HG21  VAL  29          HG21      VAL  29  -3.403   1.764   1.735
  257   HG22  VAL  29          HG22      VAL  29  -3.222   0.953   3.290
  258   HG23  VAL  29          HG23      VAL  29  -2.417   0.307   1.860
  259    H    GLU  30           H        GLU  30   1.916   1.143   2.923
  260    HA   GLU  30           HA       GLU  30   2.707   3.407   4.634
  261    HB2  GLU  30           HB2      GLU  30   4.891   1.677   4.494
  262    HB3  GLU  30           HB3      GLU  30   3.833   1.928   5.877
  263    HG2  GLU  30           HG2      GLU  30   2.398   0.117   5.142
  264    HG3  GLU  30           HG3      GLU  30   3.396  -0.121   3.702
  265    H    LEU  31           H        LEU  31   3.340   4.991   3.306
  266    HA   LEU  31           HA       LEU  31   4.755   4.323   0.859
  267    HB2  LEU  31           HB2      LEU  31   4.542   6.581   0.188
  268    HB3  LEU  31           HB3      LEU  31   2.998   6.101   0.854
  269    HG   LEU  31           HG       LEU  31   4.962   7.590   2.567
  270   HD11  LEU  31          HD11      LEU  31   4.788   8.860   0.482
  271   HD12  LEU  31          HD12      LEU  31   3.981   9.692   1.812
  272   HD13  LEU  31          HD13      LEU  31   3.028   8.826   0.606
  273   HD21  LEU  31          HD21      LEU  31   2.726   8.514   3.408
  274   HD22  LEU  31          HD22      LEU  31   3.118   6.846   3.805
  275   HD23  LEU  31          HD23      LEU  31   1.985   7.196   2.498
  276    H    GLN  32           H        GLN  32   6.837   4.451   0.588
  277    HA   GLN  32           HA       GLN  32   8.542   4.910   2.851
  278    HB2  GLN  32           HB2      GLN  32   9.010   3.105   1.265
  279    HB3  GLN  32           HB3      GLN  32   9.161   4.270  -0.041
  280    HG2  GLN  32           HG2      GLN  32  11.106   5.257   1.132
  281    HG3  GLN  32           HG3      GLN  32  10.988   3.963   2.328
  282   HE21  GLN  32          HE21      GLN  32  13.036   3.191   1.786
  283   HE22  GLN  32          HE22      GLN  32  13.354   2.360   0.311
  284    H    GLU  33           H        GLU  33   8.756   6.998   3.440
  285    HA   GLU  33           HA       GLU  33   8.917   9.143   1.560
  286    HB2  GLU  33           HB2      GLU  33   9.635   9.054   4.499
  287    HB3  GLU  33           HB3      GLU  33   9.548  10.516   3.527
  288    HG2  GLU  33           HG2      GLU  33   7.126   9.827   3.060
  289    HG3  GLU  33           HG3      GLU  33   7.324   8.717   4.414
  290    H    ALA  34           H        ALA  34  10.718  10.189   0.780
  291    HA   ALA  34           HA       ALA  34  12.844   8.412   0.218
  292    HB1  ALA  34           HB1      ALA  34  13.677  10.141  -1.245
  293    HB2  ALA  34           HB2      ALA  34  12.615  11.329  -0.488
  294    HB3  ALA  34           HB3      ALA  34  11.927   9.992  -1.409
  295    H    ASP  35           H        ASP  35  12.556   9.940   2.986
  296    HA   ASP  35           HA       ASP  35  15.216   9.651   3.765
  297    HB2  ASP  35           HB2      ASP  35  16.026  11.878   4.056
  298    HB3  ASP  35           HB3      ASP  35  15.487  11.757   2.386
  299    H    GLY  36           H        GLY  36  12.026  10.874   4.222
  300    HA2  GLY  36           HA2      GLY  36  12.165  11.277   7.032
  301    HA3  GLY  36           HA3      GLY  36  10.701  10.996   6.097
  302    H    ASP  37           H        ASP  37  11.607   8.457   5.014
  303    HA   ASP  37           HA       ASP  37  11.352   6.826   7.454
  304    HB2  ASP  37           HB2      ASP  37   9.429   6.631   5.932
  305    HB3  ASP  37           HB3      ASP  37  10.509   6.162   4.621
  306    H    CYS  38           H        CYS  38  12.759   6.835   4.201
  307    HA   CYS  38           HA       CYS  38  15.285   5.865   5.077
  308    HB2  CYS  38           HB2      CYS  38  13.802   3.797   5.160
  309    HB3  CYS  38           HB3      CYS  38  13.619   3.963   3.422
  310    H    HIS  39           H        HIS  39  16.738   5.578   3.055
  311    HA   HIS  39           HA       HIS  39  16.119   7.849   1.418
  312    HB2  HIS  39           HB2      HIS  39  18.434   7.219   2.236
  313    HB3  HIS  39           HB3      HIS  39  18.444   5.982   0.981
  314    HD1  HIS  39           HD1      HIS  39  18.791   9.628   1.540
  315    HD2  HIS  39           HD2      HIS  39  18.539   7.013  -1.688
  316    HE1  HIS  39           HE1      HIS  39  19.493  10.961  -0.477
  317    HE2  HIS  39           HE2      HIS  39  19.119   9.421  -2.433
  318    H    LEU  40           H        LEU  40  14.162   6.953   0.513
  319    HA   LEU  40           HA       LEU  40  14.426   6.707  -2.226
  320    HB2  LEU  40           HB2      LEU  40  15.167   4.405  -1.914
  321    HB3  LEU  40           HB3      LEU  40  13.780   4.065  -0.895
  322    HG   LEU  40           HG       LEU  40  12.293   4.432  -2.856
  323   HD11  LEU  40          HD11      LEU  40  13.162   4.618  -5.060
  324   HD12  LEU  40          HD12      LEU  40  14.821   4.440  -4.485
  325   HD13  LEU  40          HD13      LEU  40  13.901   5.891  -4.091
  326   HD21  LEU  40          HD21      LEU  40  14.437   2.343  -3.219
  327   HD22  LEU  40          HD22      LEU  40  12.850   2.337  -3.991
  328   HD23  LEU  40          HD23      LEU  40  12.979   2.186  -2.238
  329    H    GLN  41           H        GLN  41  12.329   6.742  -3.250
  330    HA   GLN  41           HA       GLN  41  10.123   7.113  -1.344
  331    HB2  GLN  41           HB2      GLN  41  10.738   9.163  -2.541
  332    HB3  GLN  41           HB3      GLN  41  10.521   8.339  -4.078
  333    HG2  GLN  41           HG2      GLN  41   8.158   8.073  -3.633
  334    HG3  GLN  41           HG3      GLN  41   8.352   8.825  -2.050
  335   HE21  GLN  41          HE21      GLN  41   8.340   9.349  -5.487
  336   HE22  GLN  41          HE22      GLN  41   8.185  11.068  -5.428
  337    H    ALA  42           H        ALA  42   8.578   5.638  -1.418
  338    HA   ALA  42           HA       ALA  42   7.756   4.411  -3.909
  339    HB1  ALA  42           HB1      ALA  42   8.110   2.107  -3.112
  340    HB2  ALA  42           HB2      ALA  42   8.963   2.742  -1.704
  341    HB3  ALA  42           HB3      ALA  42   9.626   2.984  -3.323
  342    H    PHE  43           H        PHE  43   6.028   2.659  -3.364
  343    HA   PHE  43           HA       PHE  43   4.513   3.466  -0.973
  344    HB2  PHE  43           HB2      PHE  43   3.491   2.988  -3.768
  345    HB3  PHE  43           HB3      PHE  43   2.436   2.910  -2.362
  346    HD1  PHE  43           HD2      PHE  43   4.437   5.096  -4.505
  347    HD2  PHE  43           HD1      PHE  43   1.823   4.897  -1.151
  348    HE1  PHE  43           HE2      PHE  43   4.120   7.536  -4.614
  349    HE2  PHE  43           HE1      PHE  43   1.498   7.336  -1.257
  350    HZ   PHE  43           HZ       PHE  43   2.648   8.658  -2.990
  351    H    VAL  44           H        VAL  44   4.477   1.804   0.382
  352    HA   VAL  44           HA       VAL  44   4.725  -0.902  -0.729
  353    HB   VAL  44           HB       VAL  44   5.222  -0.067   2.129
  354   HG11  VAL  44          HG11      VAL  44   4.881  -2.462   1.775
  355   HG12  VAL  44          HG12      VAL  44   6.549  -2.117   2.228
  356   HG13  VAL  44          HG13      VAL  44   6.148  -2.466   0.547
  357   HG21  VAL  44          HG21      VAL  44   6.679   1.243   0.723
  358   HG22  VAL  44          HG22      VAL  44   7.165  -0.196  -0.171
  359   HG23  VAL  44          HG23      VAL  44   7.620  -0.016   1.526
  360    H    LEU  45           H        LEU  45   3.175  -2.379  -0.408
  361    HA   LEU  45           HA       LEU  45   0.833  -1.530   1.143
  362    HB2  LEU  45           HB2      LEU  45   1.056  -3.574  -1.069
  363    HB3  LEU  45           HB3      LEU  45  -0.421  -3.172  -0.208
  364    HG   LEU  45           HG       LEU  45   1.170  -1.339  -2.000
  365   HD11  LEU  45          HD11      LEU  45  -1.600  -2.485  -2.276
  366   HD12  LEU  45          HD12      LEU  45  -0.180  -2.947  -3.214
  367   HD13  LEU  45          HD13      LEU  45  -0.849  -1.322  -3.368
  368   HD21  LEU  45          HD21      LEU  45  -1.302  -0.773  -0.373
  369   HD22  LEU  45          HD22      LEU  45  -0.586   0.312  -1.564
  370   HD23  LEU  45          HD23      LEU  45   0.306  -0.104  -0.101
  371    H    HIS  46           H        HIS  46   0.414  -2.505   2.979
  372    HA   HIS  46           HA       HIS  46   2.193  -4.732   3.691
  373    HB2  HIS  46           HB2      HIS  46   2.252  -2.434   4.873
  374    HB3  HIS  46           HB3      HIS  46   0.765  -2.951   5.652
  375    HD1  HIS  46           HD1      HIS  46   4.286  -2.915   6.135
  376    HD2  HIS  46           HD2      HIS  46   1.229  -5.591   7.051
  377    HE1  HIS  46           HE1      HIS  46   5.194  -4.393   7.966
  378    HE2  HIS  46           HE2      HIS  46   3.346  -6.045   8.466
  379    H    LEU  47           H        LEU  47   1.074  -6.574   3.332
  380    HA   LEU  47           HA       LEU  47  -1.653  -6.884   4.266
  381    HB2  LEU  47           HB2      LEU  47   0.335  -8.883   3.171
  382    HB3  LEU  47           HB3      LEU  47  -1.287  -9.302   3.676
  383    HG   LEU  47           HG       LEU  47  -2.115  -7.676   1.903
  384   HD11  LEU  47          HD11      LEU  47  -0.584  -7.190   0.071
  385   HD12  LEU  47          HD12      LEU  47   0.742  -7.922   0.974
  386   HD13  LEU  47          HD13      LEU  47  -0.025  -6.451   1.572
  387   HD21  LEU  47          HD21      LEU  47  -1.810  -9.327   0.116
  388   HD22  LEU  47          HD22      LEU  47  -2.222 -10.092   1.653
  389   HD23  LEU  47          HD23      LEU  47  -0.556 -10.118   1.070
  390    H    ALA  48           H        ALA  48  -2.204  -8.526   5.878
  391    HA   ALA  48           HA       ALA  48  -0.641  -8.304   8.227
  392    HB1  ALA  48           HB1      ALA  48  -2.237  -9.854   9.221
  393    HB2  ALA  48           HB2      ALA  48  -2.882 -10.227   7.622
  394    HB3  ALA  48           HB3      ALA  48  -3.062  -8.606   8.289
  395    H    GLN  49           H        GLN  49  -0.039 -10.123   5.532
  396    HA   GLN  49           HA       GLN  49   1.221 -12.286   7.068
  397    HB2  GLN  49           HB2      GLN  49   0.635 -12.271   4.104
  398    HB3  GLN  49           HB3      GLN  49   1.143 -13.637   5.080
  399    HG2  GLN  49           HG2      GLN  49  -1.041 -14.147   4.966
  400    HG3  GLN  49           HG3      GLN  49  -1.142 -13.040   6.334
  401   HE21  GLN  49          HE21      GLN  49  -2.145 -11.079   6.078
  402   HE22  GLN  49          HE22      GLN  49  -3.040 -10.652   4.663
  403    H    ARG  50           H        ARG  50   1.652 -10.069   4.332
  404    HA   ARG  50           HA       ARG  50   4.449  -9.745   4.921
  405    HB2  ARG  50           HB2      ARG  50   5.287 -10.503   2.785
  406    HB3  ARG  50           HB3      ARG  50   4.419 -11.819   3.554
  407    HG2  ARG  50           HG2      ARG  50   3.157 -10.052   1.479
  408    HG3  ARG  50           HG3      ARG  50   4.052 -11.503   1.084
  409    HD2  ARG  50           HD2      ARG  50   2.507 -12.759   2.608
  410    HD3  ARG  50           HD3      ARG  50   1.535 -11.290   2.689
  411    HE   ARG  50           HE       ARG  50   1.745 -11.689   0.033
  412   HH11  ARG  50          HH11      ARG  50   0.918 -13.878   2.639
  413   HH12  ARG  50          HH12      ARG  50  -0.178 -14.826   1.674
  414   HH21  ARG  50          HH21      ARG  50   0.353 -12.952  -1.258
  415   HH22  ARG  50          HH22      ARG  50  -0.477 -14.311  -0.561
  416    H    SER  51           H        SER  51   5.427  -8.294   3.062
  417    HA   SER  51           HA       SER  51   3.375  -6.328   2.308
  418    HB2  SER  51           HB2      SER  51   6.204  -5.668   3.141
  419    HB3  SER  51           HB3      SER  51   4.880  -4.538   2.856
  420    HG   SER  51           HG       SER  51   5.133  -4.882   5.065
  421    H    ILE  52           H        ILE  52   3.419  -5.626   0.256
  422    HA   ILE  52           HA       ILE  52   5.698  -6.439  -1.426
  423    HB   ILE  52           HB       ILE  52   2.873  -5.718  -2.261
  424   HG12  ILE  52          HG12      ILE  52   3.108  -8.158  -3.220
  425   HG13  ILE  52          HG13      ILE  52   4.328  -8.318  -1.962
  426   HG21  ILE  52          HG21      ILE  52   5.229  -6.528  -3.957
  427   HG22  ILE  52          HG22      ILE  52   4.452  -4.946  -3.922
  428   HG23  ILE  52          HG23      ILE  52   3.572  -6.348  -4.534
  429   HD11  ILE  52          HD11      ILE  52   2.657  -7.702  -0.286
  430   HD12  ILE  52          HD12      ILE  52   2.190  -9.138  -1.198
  431   HD13  ILE  52          HD13      ILE  52   1.440  -7.582  -1.558
  432    H    CYS  53           H        CYS  53   6.851  -4.857  -2.493
  433    HA   CYS  53           HA       CYS  53   6.139  -2.114  -1.747
  434    HB2  CYS  53           HB2      CYS  53   8.384  -2.883  -1.066
  435    HB3  CYS  53           HB3      CYS  53   8.783  -3.186  -2.756
  436    H    ILE  54           H        ILE  54   5.563  -0.681  -3.186
  437    HA   ILE  54           HA       ILE  54   5.491  -1.546  -5.986
  438    HB   ILE  54           HB       ILE  54   3.449  -0.605  -4.192
  439   HG12  ILE  54          HG12      ILE  54   3.327  -1.517  -7.070
  440   HG13  ILE  54          HG13      ILE  54   3.310  -2.571  -5.659
  441   HG21  ILE  54          HG21      ILE  54   2.314   0.999  -5.633
  442   HG22  ILE  54          HG22      ILE  54   3.705   1.008  -6.720
  443   HG23  ILE  54          HG23      ILE  54   3.871   1.604  -5.065
  444   HD11  ILE  54          HD11      ILE  54   1.200  -1.494  -4.944
  445   HD12  ILE  54          HD12      ILE  54   1.081  -2.321  -6.497
  446   HD13  ILE  54          HD13      ILE  54   1.211  -0.562  -6.443
  447    H    HIS  55           H        HIS  55   6.368  -0.311  -7.489
  448    HA   HIS  55           HA       HIS  55   7.881   2.008  -6.988
  449    HB2  HIS  55           HB2      HIS  55   8.440   0.761  -8.927
  450    HB3  HIS  55           HB3      HIS  55   6.767   0.711  -9.476
  451    HD1  HIS  55           HD1      HIS  55   6.116   2.363 -11.185
  452    HD2  HIS  55           HD2      HIS  55   9.621   3.455  -9.226
  453    HE1  HIS  55           HE1      HIS  55   6.916   4.449 -12.337
  454    HE2  HIS  55           HE2      HIS  55   8.926   5.195 -11.015
  455    HA   PRO  56           HA       PRO  56   4.624   5.050  -6.550
  456    HB2  PRO  56           HB2      PRO  56   6.639   6.842  -7.820
  457    HB3  PRO  56           HB3      PRO  56   5.715   7.062  -6.328
  458    HG2  PRO  56           HG2      PRO  56   8.292   6.412  -6.240
  459    HG3  PRO  56           HG3      PRO  56   7.137   5.713  -5.091
  460    HD2  PRO  56           HD2      PRO  56   8.401   4.480  -7.500
  461    HD3  PRO  56           HD3      PRO  56   7.999   3.743  -5.935
  462    H    GLN  57           H        GLN  57   3.064   5.862  -7.852
  463    HA   GLN  57           HA       GLN  57   1.823   6.296  -9.685
  464    HB2  GLN  57           HB2      GLN  57   4.519   6.431 -10.988
  465    HB3  GLN  57           HB3      GLN  57   3.069   6.418 -11.978
  466    HG2  GLN  57           HG2      GLN  57   3.514   8.669 -11.729
  467    HG3  GLN  57           HG3      GLN  57   2.287   8.368 -10.505
  468   HE21  GLN  57          HE21      GLN  57   5.654   7.444 -10.215
  469   HE22  GLN  57          HE22      GLN  57   6.045   8.555  -8.945
  470    H    ASN  58           H        ASN  58   2.876   3.538  -8.791
  471    HA   ASN  58           HA       ASN  58   2.440   1.890 -11.101
  472    HB2  ASN  58           HB2      ASN  58   3.746   1.222  -9.008
  473    HB3  ASN  58           HB3      ASN  58   2.189   1.023  -8.217
  474   HD21  ASN  58          HD21      ASN  58   0.910  -0.726  -8.733
  475   HD22  ASN  58          HD22      ASN  58   1.473  -2.049  -9.694
  476    HA   PRO  59           HA       PRO  59  -1.921   2.312 -11.528
  477    HB2  PRO  59           HB2      PRO  59  -2.323  -0.406 -12.210
  478    HB3  PRO  59           HB3      PRO  59  -2.099   0.950 -13.316
  479    HG2  PRO  59           HG2      PRO  59  -0.121  -1.042 -12.337
  480    HG3  PRO  59           HG3      PRO  59  -0.207  -0.210 -13.901
  481    HD2  PRO  59           HD2      PRO  59   1.604   0.486 -12.070
  482    HD3  PRO  59           HD3      PRO  59   0.796   1.715 -13.070
  483    H    SER  60           H        SER  60  -0.825  -0.685  -9.942
  484    HA   SER  60           HA       SER  60  -3.255  -1.246  -8.678
  485    HB2  SER  60           HB2      SER  60  -0.463  -2.131  -7.987
  486    HB3  SER  60           HB3      SER  60  -1.930  -2.803  -7.271
  487    HG   SER  60           HG       SER  60  -2.569  -3.136  -9.577
  488    H    LEU  61           H        LEU  61  -0.864   1.072  -7.808
  489    HA   LEU  61           HA       LEU  61  -1.576   1.082  -5.012
  490    HB2  LEU  61           HB2      LEU  61   0.656   1.822  -6.225
  491    HB3  LEU  61           HB3      LEU  61  -0.165   3.366  -6.327
  492    HG   LEU  61           HG       LEU  61   1.366   3.223  -4.401
  493   HD11  LEU  61          HD11      LEU  61  -0.521   4.725  -4.263
  494   HD12  LEU  61          HD12      LEU  61  -0.179   4.013  -2.684
  495   HD13  LEU  61          HD13      LEU  61  -1.537   3.420  -3.642
  496   HD21  LEU  61          HD21      LEU  61   1.186   0.854  -3.907
  497   HD22  LEU  61          HD22      LEU  61  -0.494   1.063  -3.417
  498   HD23  LEU  61          HD23      LEU  61   0.799   1.812  -2.474
  499    H    SER  62           H        SER  62  -2.329   2.964  -7.900
  500    HA   SER  62           HA       SER  62  -3.871   4.949  -6.574
  501    HB2  SER  62           HB2      SER  62  -2.927   5.368  -8.775
  502    HB3  SER  62           HB3      SER  62  -3.858   4.036  -9.459
  503    HG   SER  62           HG       SER  62  -4.588   6.513  -9.366
  504    H    GLN  63           H        GLN  63  -4.792   2.088  -8.494
  505    HA   GLN  63           HA       GLN  63  -7.547   2.263  -7.997
  506    HB2  GLN  63           HB2      GLN  63  -7.610  -0.180  -8.546
  507    HB3  GLN  63           HB3      GLN  63  -6.809   0.815  -9.754
  508    HG2  GLN  63           HG2      GLN  63  -4.703   0.042  -9.175
  509    HG3  GLN  63           HG3      GLN  63  -5.251  -0.575  -7.618
  510   HE21  GLN  63          HE21      GLN  63  -7.027  -1.116 -10.586
  511   HE22  GLN  63          HE22      GLN  63  -6.711  -2.822 -10.675
  512    H    TRP  64           H        TRP  64  -4.903   1.099  -6.054
  513    HA   TRP  64           HA       TRP  64  -6.387  -0.451  -4.267
  514    HB2  TRP  64           HB2      TRP  64  -3.908  -0.481  -4.344
  515    HB3  TRP  64           HB3      TRP  64  -3.894   1.126  -3.629
  516    HD1  TRP  64           HD1      TRP  64  -2.827   0.600  -1.321
  517    HE1  TRP  64           HE1      TRP  64  -3.491  -0.856   0.684
  518    HE3  TRP  64           HE3      TRP  64  -6.743  -1.989  -3.406
  519    HZ2  TRP  64           HZ2      TRP  64  -5.409  -2.813   1.309
  520    HZ3  TRP  64           HZ3      TRP  64  -7.926  -3.616  -2.028
  521    HH2  TRP  64           HH2      TRP  64  -7.274  -4.025   0.280
  522    H    PHE  65           H        PHE  65  -5.707   3.012  -4.330
  523    HA   PHE  65           HA       PHE  65  -6.874   3.636  -1.867
  524    HB2  PHE  65           HB2      PHE  65  -6.410   5.172  -4.386
  525    HB3  PHE  65           HB3      PHE  65  -7.422   5.879  -3.130
  526    HD1  PHE  65           HD2      PHE  65  -4.152   4.095  -3.393
  527    HD2  PHE  65           HD1      PHE  65  -6.382   7.257  -1.634
  528    HE1  PHE  65           HE2      PHE  65  -2.148   4.823  -2.168
  529    HE2  PHE  65           HE1      PHE  65  -4.382   7.989  -0.404
  530    HZ   PHE  65           HZ       PHE  65  -2.260   6.771  -0.670
  531    H    GLU  66           H        GLU  66  -8.330   3.094  -5.026
  532    HA   GLU  66           HA       GLU  66 -10.991   3.742  -4.172
  533    HB2  GLU  66           HB2      GLU  66 -10.038   2.077  -6.509
  534    HB3  GLU  66           HB3      GLU  66 -11.683   2.649  -6.273
  535    HG2  GLU  66           HG2      GLU  66 -11.003   4.925  -6.535
  536    HG3  GLU  66           HG3      GLU  66  -9.300   4.462  -6.552
  537    H    HIS  67           H        HIS  67  -9.170   0.738  -4.611
  538    HA   HIS  67           HA       HIS  67 -11.355  -0.977  -4.027
  539    HB2  HIS  67           HB2      HIS  67  -8.378  -1.471  -4.092
  540    HB3  HIS  67           HB3      HIS  67  -9.557  -2.742  -3.789
  541    HD1  HIS  67           HD1      HIS  67  -8.839  -3.989  -5.963
  542    HD2  HIS  67           HD2      HIS  67 -10.362  -0.157  -6.589
  543    HE1  HIS  67           HE1      HIS  67  -9.226  -3.795  -8.440
  544    HE2  HIS  67           HE2      HIS  67 -10.016  -1.431  -8.813
  545    H    GLN  68           H        GLN  68  -8.696   0.296  -2.052
  546    HA   GLN  68           HA       GLN  68  -9.310  -1.242   0.252
  547    HB2  GLN  68           HB2      GLN  68  -7.730   0.078   1.392
  548    HB3  GLN  68           HB3      GLN  68  -7.146   0.043  -0.264
  549    HG2  GLN  68           HG2      GLN  68  -8.372   2.265  -0.554
  550    HG3  GLN  68           HG3      GLN  68  -8.479   2.290   1.204
  551   HE21  GLN  68          HE21      GLN  68  -5.857   0.868   1.353
  552   HE22  GLN  68          HE22      GLN  68  -4.677   2.091   1.051
  553    H    GLU  69           H        GLU  69 -10.539   1.709  -1.086
  554    HA   GLU  69           HA       GLU  69 -11.905   2.747   1.126
  555    HB2  GLU  69           HB2      GLU  69 -11.591   3.939  -1.025
  556    HB3  GLU  69           HB3      GLU  69 -12.709   2.822  -1.794
  557    HG2  GLU  69           HG2      GLU  69 -13.922   4.791  -1.377
  558    HG3  GLU  69           HG3      GLU  69 -14.453   3.624  -0.167
  559    H    ARG  70           H        ARG  70 -12.570   0.041  -0.961
  560    HA   ARG  70           HA       ARG  70 -15.194  -0.298   0.333
  561    HB2  ARG  70           HB2      ARG  70 -15.881  -1.543  -1.674
  562    HB3  ARG  70           HB3      ARG  70 -15.411   0.110  -2.041
  563    HG2  ARG  70           HG2      ARG  70 -13.097  -0.939  -2.571
  564    HG3  ARG  70           HG3      ARG  70 -14.012  -2.444  -2.690
  565    HD2  ARG  70           HD2      ARG  70 -13.859  -1.493  -4.877
  566    HD3  ARG  70           HD3      ARG  70 -15.523  -1.316  -4.318
  567    HE   ARG  70           HE       ARG  70 -13.959   0.993  -3.717
  568   HH11  ARG  70          HH11      ARG  70 -15.632  -0.634  -6.310
  569   HH12  ARG  70          HH12      ARG  70 -15.932   0.816  -7.214
  570   HH21  ARG  70          HH21      ARG  70 -14.365   2.928  -4.871
  571   HH22  ARG  70          HH22      ARG  70 -15.243   2.856  -6.373
  572    H    LYS  71           H        LYS  71 -12.251  -1.396   0.842
  573    HA   LYS  71           HA       LYS  71 -13.212  -4.114   1.472
  574    HB2  LYS  71           HB2      LYS  71 -10.398  -3.430   0.592
  575    HB3  LYS  71           HB3      LYS  71 -11.001  -5.028   1.001
  576    HG2  LYS  71           HG2      LYS  71 -12.539  -4.916  -0.907
  577    HG3  LYS  71           HG3      LYS  71 -11.854  -3.344  -1.330
  578    HD2  LYS  71           HD2      LYS  71  -9.606  -4.493  -1.409
  579    HD3  LYS  71           HD3      LYS  71 -10.489  -6.020  -1.321
  580    HE2  LYS  71           HE2      LYS  71 -10.858  -3.888  -3.410
  581    HE3  LYS  71           HE3      LYS  71  -9.952  -5.389  -3.633
  582    HZ1  LYS  71           HZ1      LYS  71 -12.237  -6.411  -2.855
  583    HZ2  LYS  71           HZ2      LYS  71 -11.956  -6.010  -4.478
  584    HZ3  LYS  71           HZ3      LYS  71 -12.843  -4.960  -3.492
  585    H    LEU  72           H        LEU  72 -10.747  -4.877   2.717
  586    HA   LEU  72           HA       LEU  72  -9.778  -4.928   4.742
  587    HB2  LEU  72           HB2      LEU  72  -9.615  -2.125   3.857
  588    HB3  LEU  72           HB3      LEU  72  -9.208  -2.456   5.532
  589    HG   LEU  72           HG       LEU  72  -7.616  -4.211   4.679
  590   HD11  LEU  72          HD11      LEU  72  -6.865  -3.979   2.371
  591   HD12  LEU  72          HD12      LEU  72  -8.134  -2.792   2.072
  592   HD13  LEU  72          HD13      LEU  72  -8.559  -4.462   2.448
  593   HD21  LEU  72          HD21      LEU  72  -6.968  -2.041   5.528
  594   HD22  LEU  72          HD22      LEU  72  -7.157  -1.348   3.917
  595   HD23  LEU  72          HD23      LEU  72  -5.912  -2.562   4.214
  596    H    HIS  73           H        HIS  73 -12.593  -5.041   5.012
  597    HA   HIS  73           HA       HIS  73 -13.921  -5.299   6.863
  598    HB2  HIS  73           HB2      HIS  73 -11.546  -5.622   7.887
  599    HB3  HIS  73           HB3      HIS  73 -11.768  -3.998   8.511
  600    HD1  HIS  73           HD1      HIS  73 -11.885  -4.628  10.964
  601    HD2  HIS  73           HD2      HIS  73 -14.683  -6.628   8.618
  602    HE1  HIS  73           HE1      HIS  73 -13.448  -5.758  12.578
  603    HE2  HIS  73           HE2      HIS  73 -15.018  -7.102  11.141
  604    H    GLY  74           H        GLY  74 -13.330  -2.528   5.416
  605    HA2  GLY  74           HA2      GLY  74 -14.234  -0.406   5.527
  606    HA3  GLY  74           HA3      GLY  74 -15.249  -0.976   6.850
  607    H    THR  75           H        THR  75 -11.855  -1.411   7.089
  608    HA   THR  75           HA       THR  75 -11.658   0.827   8.987
  609    HB   THR  75           HB       THR  75  -9.906  -1.456   9.419
  610    HG1  THR  75           HG1      THR  75 -12.628  -1.759   9.245
  611   HG21  THR  75          HG21      THR  75  -9.965   0.455  10.933
  612   HG22  THR  75          HG22      THR  75 -10.478  -1.014  11.763
  613   HG23  THR  75          HG23      THR  75 -11.679   0.164  11.233
  614    H    LEU  76           H        LEU  76 -10.038   2.215   8.561
  615    HA   LEU  76           HA       LEU  76  -7.767   1.371   6.981
  616    HB2  LEU  76           HB2      LEU  76  -9.741   2.005   5.458
  617    HB3  LEU  76           HB3      LEU  76  -9.475   3.644   6.002
  618    HG   LEU  76           HG       LEU  76  -7.174   3.527   5.102
  619   HD11  LEU  76          HD11      LEU  76  -6.581   1.706   3.592
  620   HD12  LEU  76          HD12      LEU  76  -8.114   0.904   3.936
  621   HD13  LEU  76          HD13      LEU  76  -6.909   1.084   5.210
  622   HD21  LEU  76          HD21      LEU  76  -9.386   2.949   3.137
  623   HD22  LEU  76          HD22      LEU  76  -7.839   3.705   2.754
  624   HD23  LEU  76          HD23      LEU  76  -8.985   4.528   3.814
  625    HA   PRO  77           HA       PRO  77  -5.962   4.465   9.580
  626    HB2  PRO  77           HB2      PRO  77  -3.607   4.757   8.327
  627    HB3  PRO  77           HB3      PRO  77  -4.034   3.269   9.188
  628    HG2  PRO  77           HG2      PRO  77  -4.237   3.847   6.249
  629    HG3  PRO  77           HG3      PRO  77  -3.494   2.450   7.057
  630    HD2  PRO  77           HD2      PRO  77  -6.006   2.342   6.076
  631    HD3  PRO  77           HD3      PRO  77  -5.541   1.496   7.567
  632    H    LYS  78           H        LYS  78  -5.819   6.672   9.657
  633    HA   LYS  78           HA       LYS  78  -6.840   8.109   7.378
  634    HB2  LYS  78           HB2      LYS  78  -7.502   8.663   9.716
  635    HB3  LYS  78           HB3      LYS  78  -5.858   9.205  10.018
  636    HG2  LYS  78           HG2      LYS  78  -6.152  10.884   8.195
  637    HG3  LYS  78           HG3      LYS  78  -7.849  10.409   8.109
  638    HD2  LYS  78           HD2      LYS  78  -8.091  10.996  10.502
  639    HD3  LYS  78           HD3      LYS  78  -6.414  11.548  10.502
  640    HE2  LYS  78           HE2      LYS  78  -8.597  12.667   8.751
  641    HE3  LYS  78           HE3      LYS  78  -8.050  13.389  10.263
  642    HZ1  LYS  78           HZ1      LYS  78  -6.913  14.522   8.583
  643    HZ2  LYS  78           HZ2      LYS  78  -6.556  13.107   7.723
  644    HZ3  LYS  78           HZ3      LYS  78  -5.768  13.424   9.189
  645    H    LEU  79           H        LEU  79  -5.060   7.557   5.972
  646    HA   LEU  79           HA       LEU  79  -2.657   9.142   6.431
  647    HB2  LEU  79           HB2      LEU  79  -1.833   7.932   4.360
  648    HB3  LEU  79           HB3      LEU  79  -2.058   6.975   5.809
  649    HG   LEU  79           HG       LEU  79  -4.376   6.402   4.797
  650   HD11  LEU  79          HD11      LEU  79  -4.283   8.062   2.986
  651   HD12  LEU  79          HD12      LEU  79  -4.488   6.418   2.386
  652   HD13  LEU  79          HD13      LEU  79  -2.912   7.200   2.289
  653   HD21  LEU  79          HD21      LEU  79  -3.411   4.515   3.617
  654   HD22  LEU  79          HD22      LEU  79  -2.542   4.833   5.122
  655   HD23  LEU  79          HD23      LEU  79  -1.844   5.327   3.579
  656    H    ASN  80           H        ASN  80  -5.444   9.874   5.557
  657    HA   ASN  80           HA       ASN  80  -6.520  11.339   4.206
  658    HB2  ASN  80           HB2      ASN  80  -3.708  12.399   3.859
  659    HB3  ASN  80           HB3      ASN  80  -5.173  13.253   3.371
  660   HD21  ASN  80          HD21      ASN  80  -2.974  13.578   5.502
  661   HD22  ASN  80          HD22      ASN  80  -3.868  13.972   6.927
  662    H    PHE  81           H        PHE  81  -7.014   9.541   2.809
  663    HA   PHE  81           HA       PHE  81  -5.331   8.971   0.564
  664    HB2  PHE  81           HB2      PHE  81  -7.425   7.556  -0.086
  665    HB3  PHE  81           HB3      PHE  81  -6.432   7.072   1.282
  666    HD1  PHE  81           HD2      PHE  81  -9.608   8.670   0.300
  667    HD2  PHE  81           HD1      PHE  81  -7.299   7.027   3.478
  668    HE1  PHE  81           HE2      PHE  81 -11.595   8.689   1.751
  669    HE2  PHE  81           HE1      PHE  81  -9.282   7.045   4.934
  670    HZ   PHE  81           HZ       PHE  81 -11.434   7.877   4.071
  671    H    GLY  82           H        GLY  82  -6.847  11.656   0.971
  672    HA2  GLY  82           HA2      GLY  82  -8.233  11.730  -1.617
  673    HA3  GLY  82           HA3      GLY  82  -8.361  12.943  -0.350
  674    H    MET  83           H        MET  83  -5.161  12.071  -0.653
  675    HA   MET  83           HA       MET  83  -4.671  14.423  -2.344
  676    HB2  MET  83           HB2      MET  83  -2.432  14.517  -1.239
  677    HB3  MET  83           HB3      MET  83  -3.791  14.785  -0.160
  678    HG2  MET  83           HG2      MET  83  -2.252  13.433   0.999
  679    HG3  MET  83           HG3      MET  83  -3.592  12.391   0.541
  680    HE1  MET  83           HE1      MET  83  -0.710  11.327   1.533
  681    HE2  MET  83           HE2      MET  83  -0.507   9.975   0.418
  682    HE3  MET  83           HE3      MET  83  -2.086  10.296   1.138
  683    H    LEU  84           H        LEU  84  -4.640  11.150  -2.522
  684    HA   LEU  84           HA       LEU  84  -2.359  11.086  -4.382
  685    HB2  LEU  84           HB2      LEU  84  -2.537   9.545  -2.295
  686    HB3  LEU  84           HB3      LEU  84  -3.723   8.664  -3.232
  687    HG   LEU  84           HG       LEU  84  -1.364   7.739  -3.225
  688   HD11  LEU  84          HD11      LEU  84  -3.041   7.057  -4.869
  689   HD12  LEU  84          HD12      LEU  84  -1.415   7.083  -5.554
  690   HD13  LEU  84          HD13      LEU  84  -2.547   8.389  -5.915
  691   HD21  LEU  84          HD21      LEU  84  -0.169   9.848  -3.439
  692   HD22  LEU  84          HD22      LEU  84  -0.873  10.098  -5.035
  693   HD23  LEU  84          HD23      LEU  84   0.239   8.756  -4.763
  694    H    ARG  85           H        ARG  85  -5.774  10.725  -4.055
  695    HA   ARG  85           HA       ARG  85  -6.233   9.232  -6.429
  696    HB2  ARG  85           HB2      ARG  85  -8.053  10.983  -4.771
  697    HB3  ARG  85           HB3      ARG  85  -8.601  10.033  -6.147
  698    HG2  ARG  85           HG2      ARG  85  -7.866   7.987  -5.015
  699    HG3  ARG  85           HG3      ARG  85  -7.348   8.950  -3.630
  700    HD2  ARG  85           HD2      ARG  85  -9.624   9.691  -3.261
  701    HD3  ARG  85           HD3      ARG  85 -10.167   8.815  -4.691
  702    HE   ARG  85           HE       ARG  85  -9.075   6.853  -3.227
  703   HH11  ARG  85          HH11      ARG  85 -11.310   9.402  -2.329
  704   HH12  ARG  85          HH12      ARG  85 -12.147   8.418  -1.164
  705   HH21  ARG  85          HH21      ARG  85 -10.162   5.577  -1.654
  706   HH22  ARG  85          HH22      ARG  85 -11.483   6.276  -0.751
  707    H    LYS  86           H        LYS  86  -6.668   9.858  -8.458
  708    HA   LYS  86           HA       LYS  86  -6.700  11.099 -10.336
  709    HB2  LYS  86           HB2      LYS  86  -7.273  13.393  -8.462
  710    HB3  LYS  86           HB3      LYS  86  -7.249  13.541 -10.214
  711    HG2  LYS  86           HG2      LYS  86  -9.107  11.824  -8.581
  712    HG3  LYS  86           HG3      LYS  86  -9.517  13.310  -9.439
  713    HD2  LYS  86           HD2      LYS  86  -8.565  10.741 -10.706
  714    HD3  LYS  86           HD3      LYS  86 -10.230  11.325 -10.685
  715    HE2  LYS  86           HE2      LYS  86  -7.900  12.755 -11.965
  716    HE3  LYS  86           HE3      LYS  86  -9.077  11.765 -12.826
  717    HZ1  LYS  86           HZ1      LYS  86 -10.812  13.285 -12.190
  718    HZ2  LYS  86           HZ2      LYS  86  -9.570  14.148 -12.954
  719    HZ3  LYS  86           HZ3      LYS  86  -9.734  14.211 -11.267
  720    H    MET  87           H        MET  87  -4.364  11.158  -8.120
  721    HA   MET  87           HA       MET  87  -2.621  12.975  -9.603
  722    HB2  MET  87           HB2      MET  87  -2.119  11.359  -7.096
  723    HB3  MET  87           HB3      MET  87  -0.954  12.453  -7.836
  724    HG2  MET  87           HG2      MET  87  -3.619  13.210  -6.654
  725    HG3  MET  87           HG3      MET  87  -2.033  13.496  -5.938
  726    HE1  MET  87           HE1      MET  87  -4.237  15.741  -6.313
  727    HE2  MET  87           HE2      MET  87  -3.273  17.086  -6.921
  728    HE3  MET  87           HE3      MET  87  -2.650  16.078  -5.617
  729    H    GLY  88           H        GLY  88  -3.168   9.617  -8.909
  730    HA2  GLY  88           HA2      GLY  88  -1.312   8.933 -11.093
  731    HA3  GLY  88           HA3      GLY  88  -1.378   7.974  -9.617
  Start of MODEL   21
    1    H1   PHE   1           HT1      PHE   1  14.193 -13.236   4.117
    2    H2   PHE   1           HT2      PHE   1  15.814 -12.760   4.216
    3    H3   PHE   1           HT3      PHE   1  14.870 -12.287   2.890
    4    HA   PHE   1           HA       PHE   1  14.377 -11.475   5.699
    5    HB2  PHE   1           HB2      PHE   1  15.216  -9.286   5.087
    6    HB3  PHE   1           HB3      PHE   1  16.458 -10.488   4.769
    7    HD1  PHE   1           HD2      PHE   1  16.964 -11.145   2.430
    8    HD2  PHE   1           HD1      PHE   1  14.303  -7.950   3.346
    9    HE1  PHE   1           HE2      PHE   1  17.185 -10.304   0.129
   10    HE2  PHE   1           HE1      PHE   1  14.522  -7.106   1.047
   11    HZ   PHE   1           HZ       PHE   1  15.963  -8.281  -0.564
   12    H    LEU   2           H        LEU   2  12.620 -10.199   6.019
   13    HA   LEU   2           HA       LEU   2  10.958  -9.589   3.665
   14    HB2  LEU   2           HB2      LEU   2   8.957  -9.942   4.963
   15    HB3  LEU   2           HB3      LEU   2   9.943 -11.386   5.036
   16    HG   LEU   2           HG       LEU   2  10.765 -10.261   7.306
   17   HD11  LEU   2          HD11      LEU   2   7.962  -9.206   6.962
   18   HD12  LEU   2          HD12      LEU   2   9.434  -8.242   7.083
   19   HD13  LEU   2          HD13      LEU   2   8.887  -9.194   8.464
   20   HD21  LEU   2          HD21      LEU   2   9.103 -11.631   8.462
   21   HD22  LEU   2          HD22      LEU   2   9.795 -12.477   7.076
   22   HD23  LEU   2          HD23      LEU   2   8.181 -11.772   6.964
   23    H    LEU   3           H        LEU   3   9.985  -7.546   3.672
   24    HA   LEU   3           HA       LEU   3  11.377  -5.567   5.184
   25    HB2  LEU   3           HB2      LEU   3   9.180  -5.487   3.152
   26    HB3  LEU   3           HB3      LEU   3   9.537  -4.058   4.102
   27    HG   LEU   3           HG       LEU   3  10.667  -3.895   1.988
   28   HD11  LEU   3          HD11      LEU   3  11.830  -2.981   3.904
   29   HD12  LEU   3          HD12      LEU   3  12.988  -3.647   2.751
   30   HD13  LEU   3          HD13      LEU   3  12.590  -4.541   4.220
   31   HD21  LEU   3          HD21      LEU   3  11.950  -6.540   2.673
   32   HD22  LEU   3          HD22      LEU   3  12.376  -5.519   1.300
   33   HD23  LEU   3          HD23      LEU   3  10.772  -6.247   1.393
   34    HA   PRO   4           HA       PRO   4   8.688  -5.927   8.758
   35    HB2  PRO   4           HB2      PRO   4  10.286  -3.553   9.538
   36    HB3  PRO   4           HB3      PRO   4   9.998  -5.056  10.423
   37    HG2  PRO   4           HG2      PRO   4  12.364  -4.550   9.284
   38    HG3  PRO   4           HG3      PRO   4  11.683  -6.188   9.315
   39    HD2  PRO   4           HD2      PRO   4  11.808  -4.227   7.065
   40    HD3  PRO   4           HD3      PRO   4  11.995  -5.998   7.037
   41    HA   PRO   5           HA       PRO   5   5.629  -2.972   7.393
   42    HB2  PRO   5           HB2      PRO   5   4.248  -2.993   9.818
   43    HB3  PRO   5           HB3      PRO   5   3.958  -4.072   8.452
   44    HG2  PRO   5           HG2      PRO   5   5.537  -4.545  10.939
   45    HG3  PRO   5           HG3      PRO   5   4.507  -5.666  10.028
   46    HD2  PRO   5           HD2      PRO   5   7.171  -5.790   9.861
   47    HD3  PRO   5           HD3      PRO   5   6.146  -6.074   8.436
   48    H    SER   6           H        SER   6   5.742  -0.857   7.362
   49    HA   SER   6           HA       SER   6   6.049   1.311   7.931
   50    HB2  SER   6           HB2      SER   6   6.039   0.333  10.796
   51    HB3  SER   6           HB3      SER   6   5.856   2.007  10.269
   52    HG   SER   6           HG       SER   6   4.098   0.346   9.006
   53    H    THR   7           H        THR   7   8.272  -0.931   8.043
   54    HA   THR   7           HA       THR   7  10.406   1.024   8.604
   55    HB   THR   7           HB       THR   7  10.600  -1.998   8.826
   56    HG1  THR   7           HG1      THR   7  10.383   0.085  10.757
   57   HG21  THR   7          HG21      THR   7  12.831  -1.595   9.728
   58   HG22  THR   7          HG22      THR   7  12.626   0.142   9.508
   59   HG23  THR   7          HG23      THR   7  12.699  -0.922   8.104
   60    H    ALA   8           H        ALA   8  10.217   1.781   6.449
   61    HA   ALA   8           HA       ALA   8  10.701  -0.251   4.375
   62    HB1  ALA   8           HB1      ALA   8   8.456   0.709   4.316
   63    HB2  ALA   8           HB2      ALA   8   9.377   1.093   2.861
   64    HB3  ALA   8           HB3      ALA   8   9.152   2.317   4.112
   65    H    CYS   9           H        CYS   9  12.867  -0.104   4.088
   66    HA   CYS   9           HA       CYS   9  13.608   2.287   2.532
   67    HB2  CYS   9           HB2      CYS   9  14.973   2.013   4.652
   68    HB3  CYS   9           HB3      CYS   9  15.551   0.484   4.007
   69    H    CYS  10           H        CYS  10  12.083   0.183   1.742
   70    HA   CYS  10           HA       CYS  10  13.324  -2.108   0.747
   71    HB2  CYS  10           HB2      CYS  10  10.837  -1.582   1.149
   72    HB3  CYS  10           HB3      CYS  10  10.868  -0.800  -0.425
   73    H    THR  11           H        THR  11  14.773  -2.271  -0.822
   74    HA   THR  11           HA       THR  11  15.167  -0.126  -2.709
   75    HB   THR  11           HB       THR  11  17.033  -1.677  -3.523
   76    HG1  THR  11           HG1      THR  11  17.579  -3.327  -1.970
   77   HG21  THR  11          HG21      THR  11  18.471  -1.136  -1.611
   78   HG22  THR  11          HG22      THR  11  17.044  -0.761  -0.645
   79   HG23  THR  11          HG23      THR  11  17.443   0.228  -2.048
   80    H    GLN  12           H        GLN  12  14.665  -3.635  -2.998
   81    HA   GLN  12           HA       GLN  12  13.957  -3.409  -5.752
   82    HB2  GLN  12           HB2      GLN  12  13.219  -5.893  -5.339
   83    HB3  GLN  12           HB3      GLN  12  14.912  -5.456  -5.435
   84    HG2  GLN  12           HG2      GLN  12  14.591  -7.017  -3.651
   85    HG3  GLN  12           HG3      GLN  12  15.027  -5.457  -2.974
   86   HE21  GLN  12          HE21      GLN  12  13.588  -4.391  -1.686
   87   HE22  GLN  12          HE22      GLN  12  12.096  -5.069  -1.149
   88    H    LEU  13           H        LEU  13  12.009  -3.469  -6.727
   89    HA   LEU  13           HA       LEU  13   9.673  -3.260  -4.943
   90    HB2  LEU  13           HB2      LEU  13  10.162  -1.789  -7.536
   91    HB3  LEU  13           HB3      LEU  13   8.713  -1.673  -6.557
   92    HG   LEU  13           HG       LEU  13  11.466  -0.806  -5.671
   93   HD11  LEU  13          HD11      LEU  13  10.661   0.631  -7.433
   94   HD12  LEU  13          HD12      LEU  13  10.555   1.473  -5.886
   95   HD13  LEU  13          HD13      LEU  13   9.104   0.797  -6.626
   96   HD21  LEU  13          HD21      LEU  13  10.279   0.236  -3.807
   97   HD22  LEU  13          HD22      LEU  13  10.038  -1.512  -3.825
   98   HD23  LEU  13          HD23      LEU  13   8.758  -0.440  -4.395
   99    H    TYR  14           H        TYR  14   7.754  -4.215  -5.667
  100    HA   TYR  14           HA       TYR  14   8.240  -6.536  -7.278
  101    HB2  TYR  14           HB2      TYR  14   6.784  -6.495  -5.227
  102    HB3  TYR  14           HB3      TYR  14   5.600  -5.579  -6.154
  103    HD1  TYR  14           HD2      TYR  14   7.472  -8.789  -6.137
  104    HD2  TYR  14           HD1      TYR  14   3.999  -6.707  -7.436
  105    HE1  TYR  14           HE2      TYR  14   6.524 -10.902  -6.971
  106    HE2  TYR  14           HE1      TYR  14   3.041  -8.811  -8.272
  107    HH   TYR  14           HH       TYR  14   4.353 -11.865  -7.505
  108    H    ARG  15           H        ARG  15   6.607  -3.476  -7.686
  109    HA   ARG  15           HA       ARG  15   5.658  -2.428  -9.466
  110    HB2  ARG  15           HB2      ARG  15   7.846  -3.231 -10.544
  111    HB3  ARG  15           HB3      ARG  15   6.903  -4.543 -11.233
  112    HG2  ARG  15           HG2      ARG  15   7.068  -2.887 -12.906
  113    HG3  ARG  15           HG3      ARG  15   5.425  -2.787 -12.272
  114    HD2  ARG  15           HD2      ARG  15   6.395  -0.980 -10.699
  115    HD3  ARG  15           HD3      ARG  15   7.732  -0.926 -11.845
  116    HE   ARG  15           HE       ARG  15   4.985  -0.580 -12.820
  117   HH11  ARG  15          HH11      ARG  15   8.206   0.730 -12.322
  118   HH12  ARG  15          HH12      ARG  15   7.885   2.189 -13.209
  119   HH21  ARG  15          HH21      ARG  15   4.565   1.335 -13.982
  120   HH22  ARG  15          HH22      ARG  15   5.817   2.541 -14.147
  121    H    LYS  16           H        LYS  16   4.242  -3.096 -11.610
  122    HA   LYS  16           HA       LYS  16   2.424  -4.142 -12.478
  123    HB2  LYS  16           HB2      LYS  16   3.255  -6.428 -10.679
  124    HB3  LYS  16           HB3      LYS  16   1.999  -6.524 -11.904
  125    HG2  LYS  16           HG2      LYS  16   3.645  -6.090 -13.642
  126    HG3  LYS  16           HG3      LYS  16   4.909  -5.948 -12.421
  127    HD2  LYS  16           HD2      LYS  16   3.231  -8.417 -12.827
  128    HD3  LYS  16           HD3      LYS  16   4.812  -8.171 -13.568
  129    HE2  LYS  16           HE2      LYS  16   4.289  -8.121 -10.597
  130    HE3  LYS  16           HE3      LYS  16   4.872  -9.530 -11.482
  131    HZ1  LYS  16           HZ1      LYS  16   6.729  -8.413 -10.515
  132    HZ2  LYS  16           HZ2      LYS  16   6.258  -6.924 -11.167
  133    HZ3  LYS  16           HZ3      LYS  16   6.788  -8.162 -12.192
  134    HA   PRO  17           HA       PRO  17  -0.814  -3.779  -9.367
  135    HB2  PRO  17           HB2      PRO  17  -2.719  -5.292 -10.871
  136    HB3  PRO  17           HB3      PRO  17  -2.566  -3.538 -10.780
  137    HG2  PRO  17           HG2      PRO  17  -2.086  -5.058 -13.042
  138    HG3  PRO  17           HG3      PRO  17  -1.467  -3.420 -12.767
  139    HD2  PRO  17           HD2      PRO  17  -0.090  -6.054 -12.434
  140    HD3  PRO  17           HD3      PRO  17   0.553  -4.510 -13.037
  141    H    LEU  18           H        LEU  18  -1.410  -4.937  -7.602
  142    HA   LEU  18           HA       LEU  18  -0.674  -7.727  -7.477
  143    HB2  LEU  18           HB2      LEU  18  -1.966  -5.935  -5.413
  144    HB3  LEU  18           HB3      LEU  18  -1.404  -7.568  -5.114
  145    HG   LEU  18           HG       LEU  18   0.325  -5.208  -5.863
  146   HD11  LEU  18          HD11      LEU  18  -0.455  -5.041  -3.588
  147   HD12  LEU  18          HD12      LEU  18   1.247  -5.509  -3.587
  148   HD13  LEU  18          HD13      LEU  18  -0.003  -6.714  -3.271
  149   HD21  LEU  18          HD21      LEU  18   1.181  -7.301  -6.793
  150   HD22  LEU  18          HD22      LEU  18   1.105  -8.046  -5.196
  151   HD23  LEU  18          HD23      LEU  18   2.211  -6.704  -5.494
  152    H    SER  19           H        SER  19  -2.058  -9.469  -7.215
  153    HA   SER  19           HA       SER  19  -4.517  -9.366  -8.550
  154    HB2  SER  19           HB2      SER  19  -3.491 -11.466  -6.621
  155    HB3  SER  19           HB3      SER  19  -4.813 -11.682  -7.769
  156    HG   SER  19           HG       SER  19  -3.428 -11.788  -9.387
  157    H    ASP  20           H        ASP  20  -6.640  -9.540  -7.813
  158    HA   ASP  20           HA       ASP  20  -7.368  -7.855  -5.716
  159    HB2  ASP  20           HB2      ASP  20  -8.772  -8.618  -7.710
  160    HB3  ASP  20           HB3      ASP  20  -9.113 -10.075  -6.782
  161    H    LYS  21           H        LYS  21  -7.019 -11.348  -5.835
  162    HA   LYS  21           HA       LYS  21  -8.084 -12.047  -3.355
  163    HB2  LYS  21           HB2      LYS  21  -5.706 -13.270  -4.772
  164    HB3  LYS  21           HB3      LYS  21  -6.610 -14.022  -3.467
  165    HG2  LYS  21           HG2      LYS  21  -8.594 -14.110  -4.856
  166    HG3  LYS  21           HG3      LYS  21  -7.735 -13.284  -6.159
  167    HD2  LYS  21           HD2      LYS  21  -6.145 -15.149  -6.277
  168    HD3  LYS  21           HD3      LYS  21  -7.030 -15.975  -4.995
  169    HE2  LYS  21           HE2      LYS  21  -8.159 -15.206  -7.684
  170    HE3  LYS  21           HE3      LYS  21  -7.611 -16.820  -7.232
  171    HZ1  LYS  21           HZ1      LYS  21  -9.852 -15.317  -5.985
  172    HZ2  LYS  21           HZ2      LYS  21  -9.303 -16.841  -5.485
  173    HZ3  LYS  21           HZ3      LYS  21  -9.992 -16.652  -7.023
  174    H    LEU  22           H        LEU  22  -4.810 -10.967  -4.186
  175    HA   LEU  22           HA       LEU  22  -3.797 -11.232  -1.517
  176    HB2  LEU  22           HB2      LEU  22  -2.529  -9.297  -3.376
  177    HB3  LEU  22           HB3      LEU  22  -1.790 -10.511  -2.352
  178    HG   LEU  22           HG       LEU  22  -3.172 -11.032  -4.970
  179   HD11  LEU  22          HD11      LEU  22  -0.913 -11.522  -5.800
  180   HD12  LEU  22          HD12      LEU  22  -0.244 -11.020  -4.246
  181   HD13  LEU  22          HD13      LEU  22  -1.074  -9.847  -5.270
  182   HD21  LEU  22          HD21      LEU  22  -3.386 -12.932  -3.480
  183   HD22  LEU  22          HD22      LEU  22  -1.660 -12.881  -3.125
  184   HD23  LEU  22          HD23      LEU  22  -2.214 -13.298  -4.746
  185    H    LEU  23           H        LEU  23  -5.041  -8.637  -3.528
  186    HA   LEU  23           HA       LEU  23  -4.302  -6.515  -1.912
  187    HB2  LEU  23           HB2      LEU  23  -6.464  -6.823  -3.965
  188    HB3  LEU  23           HB3      LEU  23  -6.274  -5.325  -3.074
  189    HG   LEU  23           HG       LEU  23  -4.189  -6.599  -4.849
  190   HD11  LEU  23          HD11      LEU  23  -5.817  -4.087  -5.205
  191   HD12  LEU  23          HD12      LEU  23  -6.054  -5.600  -6.082
  192   HD13  LEU  23          HD13      LEU  23  -4.563  -4.679  -6.296
  193   HD21  LEU  23          HD21      LEU  23  -3.122  -5.463  -3.009
  194   HD22  LEU  23          HD22      LEU  23  -4.143  -4.045  -3.248
  195   HD23  LEU  23          HD23      LEU  23  -2.950  -4.490  -4.470
  196    H    ARG  24           H        ARG  24  -7.409  -8.278  -1.963
  197    HA   ARG  24           HA       ARG  24  -8.686  -6.671  -0.047
  198    HB2  ARG  24           HB2      ARG  24 -10.313  -8.433   0.150
  199    HB3  ARG  24           HB3      ARG  24  -9.838  -8.283  -1.537
  200    HG2  ARG  24           HG2      ARG  24  -8.444 -10.234  -1.370
  201    HG3  ARG  24           HG3      ARG  24  -8.742 -10.343   0.366
  202    HD2  ARG  24           HD2      ARG  24 -10.735 -10.714  -1.862
  203    HD3  ARG  24           HD3      ARG  24 -10.140 -11.941  -0.742
  204    HE   ARG  24           HE       ARG  24 -11.594  -9.631   0.329
  205   HH11  ARG  24          HH11      ARG  24 -11.428 -13.074  -0.283
  206   HH12  ARG  24          HH12      ARG  24 -12.830 -13.433   0.683
  207   HH21  ARG  24          HH21      ARG  24 -13.415 -10.096   1.602
  208   HH22  ARG  24          HH22      ARG  24 -13.962 -11.741   1.746
  209    H    LYS  25           H        LYS  25  -6.072  -8.703   0.380
  210    HA   LYS  25           HA       LYS  25  -6.691  -9.294   3.177
  211    HB2  LYS  25           HB2      LYS  25  -4.424 -10.256   1.446
  212    HB3  LYS  25           HB3      LYS  25  -4.696 -10.730   3.118
  213    HG2  LYS  25           HG2      LYS  25  -6.912 -11.650   2.410
  214    HG3  LYS  25           HG3      LYS  25  -6.435 -11.340   0.738
  215    HD2  LYS  25           HD2      LYS  25  -5.042 -13.150   2.710
  216    HD3  LYS  25           HD3      LYS  25  -5.979 -13.645   1.299
  217    HE2  LYS  25           HE2      LYS  25  -4.372 -12.593  -0.172
  218    HE3  LYS  25           HE3      LYS  25  -3.468 -11.987   1.215
  219    HZ1  LYS  25           HZ1      LYS  25  -2.453 -13.989   0.271
  220    HZ2  LYS  25           HZ2      LYS  25  -3.879 -14.862   0.571
  221    HZ3  LYS  25           HZ3      LYS  25  -2.971 -14.252   1.864
  222    H    VAL  26           H        VAL  26  -5.168  -6.973   1.322
  223    HA   VAL  26           HA       VAL  26  -3.027  -6.296   3.120
  224    HB   VAL  26           HB       VAL  26  -4.378  -4.511   1.075
  225   HG11  VAL  26          HG11      VAL  26  -2.227  -3.310   1.086
  226   HG12  VAL  26          HG12      VAL  26  -1.665  -4.368   2.382
  227   HG13  VAL  26          HG13      VAL  26  -3.025  -3.280   2.659
  228   HG21  VAL  26          HG21      VAL  26  -3.573  -6.554   0.010
  229   HG22  VAL  26          HG22      VAL  26  -1.977  -6.302   0.720
  230   HG23  VAL  26          HG23      VAL  26  -2.602  -5.161  -0.470
  231    H    ILE  27           H        ILE  27  -3.120  -4.905   4.866
  232    HA   ILE  27           HA       ILE  27  -5.854  -4.099   5.582
  233    HB   ILE  27           HB       ILE  27  -5.104  -4.222   7.956
  234   HG12  ILE  27          HG12      ILE  27  -2.668  -5.535   6.726
  235   HG13  ILE  27          HG13      ILE  27  -2.686  -4.011   7.608
  236   HG21  ILE  27          HG21      ILE  27  -5.215  -6.668   8.071
  237   HG22  ILE  27          HG22      ILE  27  -4.895  -6.761   6.340
  238   HG23  ILE  27          HG23      ILE  27  -6.384  -6.015   6.922
  239   HD11  ILE  27          HD11      ILE  27  -3.365  -5.204   9.635
  240   HD12  ILE  27          HD12      ILE  27  -1.837  -5.808   8.993
  241   HD13  ILE  27          HD13      ILE  27  -3.322  -6.726   8.744
  242    H    GLN  28           H        GLN  28  -2.640  -2.915   5.099
  243    HA   GLN  28           HA       GLN  28  -3.578  -0.214   5.619
  244    HB2  GLN  28           HB2      GLN  28  -1.343  -1.507   7.155
  245    HB3  GLN  28           HB3      GLN  28  -1.368   0.231   6.894
  246    HG2  GLN  28           HG2      GLN  28  -3.521  -1.371   8.261
  247    HG3  GLN  28           HG3      GLN  28  -2.304  -0.380   9.063
  248   HE21  GLN  28          HE21      GLN  28  -5.227  -0.194   9.102
  249   HE22  GLN  28          HE22      GLN  28  -5.608   1.401   8.548
  250    H    VAL  29           H        VAL  29  -2.210   1.429   4.765
  251    HA   VAL  29           HA       VAL  29  -0.381   0.495   2.644
  252    HB   VAL  29           HB       VAL  29  -1.890   3.121   2.748
  253   HG11  VAL  29          HG11      VAL  29  -1.190   3.355   0.413
  254   HG12  VAL  29          HG12      VAL  29  -0.286   1.847   0.533
  255   HG13  VAL  29          HG13      VAL  29   0.195   3.242   1.497
  256   HG21  VAL  29          HG21      VAL  29  -3.464   1.308   2.455
  257   HG22  VAL  29          HG22      VAL  29  -2.487   0.633   1.153
  258   HG23  VAL  29          HG23      VAL  29  -3.282   2.192   0.940
  259    H    GLU  30           H        GLU  30   1.712   1.140   2.794
  260    HA   GLU  30           HA       GLU  30   2.328   3.172   4.842
  261    HB2  GLU  30           HB2      GLU  30   4.277   1.022   4.110
  262    HB3  GLU  30           HB3      GLU  30   4.112   1.909   5.621
  263    HG2  GLU  30           HG2      GLU  30   1.894   0.692   5.896
  264    HG3  GLU  30           HG3      GLU  30   2.449  -0.362   4.587
  265    H    LEU  31           H        LEU  31   3.802   4.743   4.347
  266    HA   LEU  31           HA       LEU  31   4.654   4.811   1.539
  267    HB2  LEU  31           HB2      LEU  31   3.257   6.673   2.093
  268    HB3  LEU  31           HB3      LEU  31   4.195   7.021   3.534
  269    HG   LEU  31           HG       LEU  31   6.101   7.701   2.157
  270   HD11  LEU  31          HD11      LEU  31   5.884   7.912  -0.262
  271   HD12  LEU  31          HD12      LEU  31   4.293   7.153  -0.191
  272   HD13  LEU  31          HD13      LEU  31   5.731   6.231   0.249
  273   HD21  LEU  31          HD21      LEU  31   5.152   9.736   1.220
  274   HD22  LEU  31          HD22      LEU  31   4.446   9.378   2.796
  275   HD23  LEU  31          HD23      LEU  31   3.535   9.041   1.324
  276    H    GLN  32           H        GLN  32   6.663   4.317   1.168
  277    HA   GLN  32           HA       GLN  32   8.753   4.788   3.126
  278    HB2  GLN  32           HB2      GLN  32   8.938   2.767   1.851
  279    HB3  GLN  32           HB3      GLN  32   8.749   3.643   0.339
  280    HG2  GLN  32           HG2      GLN  32  10.885   4.700   0.629
  281    HG3  GLN  32           HG3      GLN  32  11.068   3.966   2.223
  282   HE21  GLN  32          HE21      GLN  32  12.684   3.763  -0.224
  283   HE22  GLN  32          HE22      GLN  32  12.789   2.069  -0.558
  284    H    GLU  33           H        GLU  33   9.269   6.875   3.343
  285    HA   GLU  33           HA       GLU  33   8.930   8.760   1.225
  286    HB2  GLU  33           HB2      GLU  33  10.245   9.040   3.932
  287    HB3  GLU  33           HB3      GLU  33   9.891  10.375   2.842
  288    HG2  GLU  33           HG2      GLU  33   7.511   9.881   2.994
  289    HG3  GLU  33           HG3      GLU  33   7.856   8.526   4.067
  290    H    ALA  34           H        ALA  34  10.485   9.892   0.087
  291    HA   ALA  34           HA       ALA  34  12.832   8.344  -0.540
  292    HB1  ALA  34           HB1      ALA  34  11.554   9.430  -2.308
  293    HB2  ALA  34           HB2      ALA  34  13.216  10.009  -2.282
  294    HB3  ALA  34           HB3      ALA  34  11.923  11.008  -1.618
  295    H    ASP  35           H        ASP  35  12.320  10.270   1.955
  296    HA   ASP  35           HA       ASP  35  15.115  10.828   2.301
  297    HB2  ASP  35           HB2      ASP  35  14.506  12.824   1.067
  298    HB3  ASP  35           HB3      ASP  35  13.124  13.101   2.123
  299    H    GLY  36           H        GLY  36  11.824  10.923   3.469
  300    HA2  GLY  36           HA2      GLY  36  12.435  11.549   6.171
  301    HA3  GLY  36           HA3      GLY  36  10.936  10.851   5.584
  302    H    ASP  37           H        ASP  37  13.402   8.885   4.546
  303    HA   ASP  37           HA       ASP  37  13.987   7.461   6.953
  304    HB2  ASP  37           HB2      ASP  37  11.587   6.775   6.446
  305    HB3  ASP  37           HB3      ASP  37  12.205   6.011   4.987
  306    H    CYS  38           H        CYS  38  13.432   6.673   3.543
  307    HA   CYS  38           HA       CYS  38  16.158   5.570   3.395
  308    HB2  CYS  38           HB2      CYS  38  14.106   4.064   3.108
  309    HB3  CYS  38           HB3      CYS  38  13.813   4.928   1.607
  310    H    HIS  39           H        HIS  39  17.164   5.778   1.162
  311    HA   HIS  39           HA       HIS  39  16.636   8.473   0.184
  312    HB2  HIS  39           HB2      HIS  39  18.747   8.183  -1.135
  313    HB3  HIS  39           HB3      HIS  39  18.939   8.094   0.607
  314    HD1  HIS  39           HD1      HIS  39  20.619   6.420   1.195
  315    HD2  HIS  39           HD2      HIS  39  18.410   5.248  -2.130
  316    HE1  HIS  39           HE1      HIS  39  21.573   4.201   0.491
  317    HE2  HIS  39           HE2      HIS  39  20.105   3.427  -1.403
  318    H    LEU  40           H        LEU  40  14.819   6.271  -0.428
  319    HA   LEU  40           HA       LEU  40  14.367   7.123  -3.122
  320    HB2  LEU  40           HB2      LEU  40  14.226   4.996  -4.177
  321    HB3  LEU  40           HB3      LEU  40  15.814   5.125  -3.447
  322    HG   LEU  40           HG       LEU  40  14.160   3.889  -1.531
  323   HD11  LEU  40          HD11      LEU  40  12.582   3.408  -3.338
  324   HD12  LEU  40          HD12      LEU  40  13.348   1.936  -2.737
  325   HD13  LEU  40          HD13      LEU  40  13.876   2.645  -4.263
  326   HD21  LEU  40          HD21      LEU  40  15.694   2.022  -1.885
  327   HD22  LEU  40          HD22      LEU  40  16.547   3.566  -1.829
  328   HD23  LEU  40          HD23      LEU  40  16.259   2.776  -3.378
  329    H    GLN  41           H        GLN  41  12.161   6.682  -3.778
  330    HA   GLN  41           HA       GLN  41  10.473   6.458  -1.398
  331    HB2  GLN  41           HB2      GLN  41  10.343   8.506  -2.867
  332    HB3  GLN  41           HB3      GLN  41   9.659   7.483  -4.117
  333    HG2  GLN  41           HG2      GLN  41   7.772   6.962  -2.719
  334    HG3  GLN  41           HG3      GLN  41   8.477   7.861  -1.379
  335   HE21  GLN  41          HE21      GLN  41   6.788   9.259  -1.189
  336   HE22  GLN  41          HE22      GLN  41   6.439  10.492  -2.352
  337    H    ALA  42           H        ALA  42   8.770   5.085  -1.250
  338    HA   ALA  42           HA       ALA  42   7.975   3.448  -3.501
  339    HB1  ALA  42           HB1      ALA  42   9.852   2.157  -2.634
  340    HB2  ALA  42           HB2      ALA  42   8.331   1.319  -2.324
  341    HB3  ALA  42           HB3      ALA  42   9.141   2.185  -1.019
  342    H    PHE  43           H        PHE  43   5.947   2.466  -3.176
  343    HA   PHE  43           HA       PHE  43   4.596   3.224  -0.677
  344    HB2  PHE  43           HB2      PHE  43   3.645   3.037  -3.496
  345    HB3  PHE  43           HB3      PHE  43   2.511   2.628  -2.214
  346    HD1  PHE  43           HD1      PHE  43   4.601   5.330  -3.614
  347    HD2  PHE  43           HD2      PHE  43   1.550   4.291  -0.837
  348    HE1  PHE  43           HE1      PHE  43   4.087   7.712  -3.294
  349    HE2  PHE  43           HE2      PHE  43   1.033   6.674  -0.511
  350    HZ   PHE  43           HZ       PHE  43   2.302   8.387  -1.742
  351    H    VAL  44           H        VAL  44   4.560   1.570   0.673
  352    HA   VAL  44           HA       VAL  44   4.701  -1.129  -0.476
  353    HB   VAL  44           HB       VAL  44   5.608  -0.210   2.259
  354   HG11  VAL  44          HG11      VAL  44   6.099  -2.795   0.780
  355   HG12  VAL  44          HG12      VAL  44   5.046  -2.588   2.181
  356   HG13  VAL  44          HG13      VAL  44   6.788  -2.356   2.343
  357   HG21  VAL  44          HG21      VAL  44   6.919   0.846   0.505
  358   HG22  VAL  44          HG22      VAL  44   7.191  -0.718  -0.260
  359   HG23  VAL  44          HG23      VAL  44   7.883  -0.381   1.329
  360    H    LEU  45           H        LEU  45   3.110  -2.516  -0.103
  361    HA   LEU  45           HA       LEU  45   0.891  -1.601   1.564
  362    HB2  LEU  45           HB2      LEU  45   1.068  -3.730  -0.563
  363    HB3  LEU  45           HB3      LEU  45  -0.368  -3.440   0.402
  364    HG   LEU  45           HG       LEU  45   0.916  -1.510  -1.526
  365   HD11  LEU  45          HD11      LEU  45  -0.333  -3.270  -2.630
  366   HD12  LEU  45          HD12      LEU  45  -1.194  -1.736  -2.750
  367   HD13  LEU  45          HD13      LEU  45  -1.728  -2.958  -1.596
  368   HD21  LEU  45          HD21      LEU  45  -0.919  -0.008  -0.992
  369   HD22  LEU  45          HD22      LEU  45   0.038  -0.362   0.448
  370   HD23  LEU  45          HD23      LEU  45  -1.521  -1.150   0.210
  371    H    HIS  46           H        HIS  46   0.279  -2.595   3.369
  372    HA   HIS  46           HA       HIS  46   1.896  -4.927   4.153
  373    HB2  HIS  46           HB2      HIS  46   2.234  -2.917   5.551
  374    HB3  HIS  46           HB3      HIS  46   0.518  -2.922   5.953
  375    HD1  HIS  46           HD1      HIS  46   0.189  -3.810   8.245
  376    HD2  HIS  46           HD2      HIS  46   3.289  -5.750   6.255
  377    HE1  HIS  46           HE1      HIS  46   1.014  -5.578   9.830
  378    HE2  HIS  46           HE2      HIS  46   2.860  -6.779   8.594
  379    H    LEU  47           H        LEU  47   0.838  -6.729   3.892
  380    HA   LEU  47           HA       LEU  47  -2.019  -6.919   4.427
  381    HB2  LEU  47           HB2      LEU  47  -0.032  -9.074   3.663
  382    HB3  LEU  47           HB3      LEU  47  -1.769  -9.270   3.757
  383    HG   LEU  47           HG       LEU  47  -1.878  -7.477   1.908
  384   HD11  LEU  47          HD11      LEU  47   0.419  -6.707   2.021
  385   HD12  LEU  47          HD12      LEU  47   0.086  -7.409   0.438
  386   HD13  LEU  47          HD13      LEU  47   1.002  -8.324   1.635
  387   HD21  LEU  47          HD21      LEU  47  -0.740 -10.211   1.345
  388   HD22  LEU  47          HD22      LEU  47  -1.576  -9.183   0.181
  389   HD23  LEU  47          HD23      LEU  47  -2.443  -9.820   1.579
  390    H    ALA  48           H        ALA  48  -2.716  -8.707   5.938
  391    HA   ALA  48           HA       ALA  48  -1.347  -8.428   8.434
  392    HB1  ALA  48           HB1      ALA  48  -3.614 -10.277   7.702
  393    HB2  ALA  48           HB2      ALA  48  -3.781  -8.632   8.320
  394    HB3  ALA  48           HB3      ALA  48  -3.072  -9.889   9.334
  395    H    GLN  49           H        GLN  49  -0.560 -10.202   5.824
  396    HA   GLN  49           HA       GLN  49   0.610 -12.362   7.441
  397    HB2  GLN  49           HB2      GLN  49   0.138 -12.491   4.464
  398    HB3  GLN  49           HB3      GLN  49   0.578 -13.806   5.538
  399    HG2  GLN  49           HG2      GLN  49  -1.612 -14.285   5.296
  400    HG3  GLN  49           HG3      GLN  49  -1.749 -13.158   6.645
  401   HE21  GLN  49          HE21      GLN  49  -2.741 -11.231   6.341
  402   HE22  GLN  49          HE22      GLN  49  -3.537 -10.771   4.878
  403    H    ARG  50           H        ARG  50   1.250  -9.741   5.236
  404    HA   ARG  50           HA       ARG  50   4.078 -10.122   5.318
  405    HB2  ARG  50           HB2      ARG  50   4.422 -10.700   2.968
  406    HB3  ARG  50           HB3      ARG  50   3.465 -11.939   3.770
  407    HG2  ARG  50           HG2      ARG  50   1.548 -10.237   2.786
  408    HG3  ARG  50           HG3      ARG  50   2.787 -10.210   1.529
  409    HD2  ARG  50           HD2      ARG  50   1.444 -12.654   2.682
  410    HD3  ARG  50           HD3      ARG  50   1.173 -11.966   1.083
  411    HE   ARG  50           HE       ARG  50   3.790 -12.447   0.983
  412   HH11  ARG  50          HH11      ARG  50   1.143 -14.466   2.089
  413   HH12  ARG  50          HH12      ARG  50   1.952 -15.957   1.711
  414   HH21  ARG  50          HH21      ARG  50   4.864 -14.407   0.507
  415   HH22  ARG  50          HH22      ARG  50   4.051 -15.921   0.792
  416    H    SER  51           H        SER  51   5.152  -8.676   3.559
  417    HA   SER  51           HA       SER  51   3.493  -6.294   3.051
  418    HB2  SER  51           HB2      SER  51   6.442  -6.201   3.726
  419    HB3  SER  51           HB3      SER  51   5.310  -4.855   3.645
  420    HG   SER  51           HG       SER  51   5.956  -5.911   5.797
  421    H    ILE  52           H        ILE  52   3.717  -5.368   1.056
  422    HA   ILE  52           HA       ILE  52   5.695  -6.582  -0.771
  423    HB   ILE  52           HB       ILE  52   2.852  -5.816  -1.485
  424   HG12  ILE  52          HG12      ILE  52   4.133  -8.552  -1.276
  425   HG13  ILE  52          HG13      ILE  52   2.990  -7.875  -0.121
  426   HG21  ILE  52          HG21      ILE  52   5.021  -7.089  -3.148
  427   HG22  ILE  52          HG22      ILE  52   4.396  -5.448  -3.323
  428   HG23  ILE  52          HG23      ILE  52   3.352  -6.831  -3.660
  429   HD11  ILE  52          HD11      ILE  52   2.415  -8.488  -3.012
  430   HD12  ILE  52          HD12      ILE  52   1.269  -7.831  -1.842
  431   HD13  ILE  52          HD13      ILE  52   1.918  -9.456  -1.623
  432    H    CYS  53           H        CYS  53   6.770  -5.158  -2.110
  433    HA   CYS  53           HA       CYS  53   6.355  -2.333  -1.432
  434    HB2  CYS  53           HB2      CYS  53   8.729  -3.674  -2.749
  435    HB3  CYS  53           HB3      CYS  53   8.640  -1.987  -2.260
  436    H    ILE  54           H        ILE  54   5.436  -1.040  -2.828
  437    HA   ILE  54           HA       ILE  54   5.300  -1.855  -5.648
  438    HB   ILE  54           HB       ILE  54   3.352  -0.567  -3.803
  439   HG12  ILE  54          HG12      ILE  54   3.132  -2.589  -6.037
  440   HG13  ILE  54          HG13      ILE  54   3.115  -2.922  -4.309
  441   HG21  ILE  54          HG21      ILE  54   3.359  -0.047  -6.765
  442   HG22  ILE  54          HG22      ILE  54   3.541   1.142  -5.473
  443   HG23  ILE  54          HG23      ILE  54   2.011   0.288  -5.677
  444   HD11  ILE  54          HD11      ILE  54   0.884  -3.035  -5.270
  445   HD12  ILE  54          HD12      ILE  54   1.028  -1.363  -5.817
  446   HD13  ILE  54          HD13      ILE  54   1.005  -1.729  -4.091
  447    H    HIS  55           H        HIS  55   5.859  -0.448  -7.217
  448    HA   HIS  55           HA       HIS  55   7.504   1.782  -6.731
  449    HB2  HIS  55           HB2      HIS  55   7.594   0.513  -8.813
  450    HB3  HIS  55           HB3      HIS  55   5.931   0.953  -9.186
  451    HD1  HIS  55           HD1      HIS  55   5.565   3.060 -10.478
  452    HD2  HIS  55           HD2      HIS  55   9.457   2.718  -9.035
  453    HE1  HIS  55           HE1      HIS  55   6.858   4.927 -11.556
  454    HE2  HIS  55           HE2      HIS  55   9.173   4.774 -10.584
  455    HA   PRO  56           HA       PRO  56   4.588   4.751  -5.248
  456    HB2  PRO  56           HB2      PRO  56   6.290   6.653  -6.804
  457    HB3  PRO  56           HB3      PRO  56   5.726   6.758  -5.132
  458    HG2  PRO  56           HG2      PRO  56   8.228   6.039  -5.673
  459    HG3  PRO  56           HG3      PRO  56   7.324   5.272  -4.357
  460    HD2  PRO  56           HD2      PRO  56   8.039   4.202  -7.039
  461    HD3  PRO  56           HD3      PRO  56   7.841   3.348  -5.497
  462    H    GLN  57           H        GLN  57   5.685   5.714  -8.517
  463    HA   GLN  57           HA       GLN  57   3.021   6.521  -9.228
  464    HB2  GLN  57           HB2      GLN  57   5.547   6.269 -10.869
  465    HB3  GLN  57           HB3      GLN  57   4.023   6.879 -11.502
  466    HG2  GLN  57           HG2      GLN  57   5.527   8.096  -9.195
  467    HG3  GLN  57           HG3      GLN  57   5.624   8.650 -10.866
  468   HE21  GLN  57          HE21      GLN  57   3.631   8.463  -8.014
  469   HE22  GLN  57          HE22      GLN  57   2.442   9.598  -8.541
  470    H    ASN  58           H        ASN  58   2.149   4.390  -8.636
  471    HA   ASN  58           HA       ASN  58   2.047   2.670 -11.023
  472    HB2  ASN  58           HB2      ASN  58   2.549   1.883  -8.203
  473    HB3  ASN  58           HB3      ASN  58   1.421   0.878  -9.104
  474   HD21  ASN  58          HD21      ASN  58   2.765  -0.889  -9.106
  475   HD22  ASN  58          HD22      ASN  58   4.191  -0.961 -10.075
  476    HA   PRO  59           HA       PRO  59  -2.317   3.458 -10.773
  477    HB2  PRO  59           HB2      PRO  59  -3.130   1.181 -12.104
  478    HB3  PRO  59           HB3      PRO  59  -2.597   2.666 -12.897
  479    HG2  PRO  59           HG2      PRO  59  -1.074   0.154 -12.355
  480    HG3  PRO  59           HG3      PRO  59  -1.055   1.187 -13.795
  481    HD2  PRO  59           HD2      PRO  59   0.915   1.274 -11.973
  482    HD3  PRO  59           HD3      PRO  59   0.364   2.737 -12.816
  483    H    SER  60           H        SER  60  -0.839   0.435  -9.818
  484    HA   SER  60           HA       SER  60  -3.118  -0.772  -8.683
  485    HB2  SER  60           HB2      SER  60  -1.088  -2.020  -9.357
  486    HB3  SER  60           HB3      SER  60  -0.209  -1.277  -8.023
  487    HG   SER  60           HG       SER  60  -2.368  -2.288  -6.954
  488    H    LEU  61           H        LEU  61  -0.774   1.505  -7.378
  489    HA   LEU  61           HA       LEU  61  -1.571   0.991  -4.651
  490    HB2  LEU  61           HB2      LEU  61   0.740   1.786  -5.531
  491    HB3  LEU  61           HB3      LEU  61   0.014   3.377  -5.556
  492    HG   LEU  61           HG       LEU  61   1.363   3.006  -3.538
  493   HD11  LEU  61          HD11      LEU  61  -0.511   4.544  -3.401
  494   HD12  LEU  61          HD12      LEU  61  -0.266   3.702  -1.871
  495   HD13  LEU  61          HD13      LEU  61  -1.579   3.217  -2.943
  496   HD21  LEU  61          HD21      LEU  61  -0.623   0.831  -2.898
  497   HD22  LEU  61          HD22      LEU  61   0.635   1.433  -1.812
  498   HD23  LEU  61          HD23      LEU  61   1.077   0.606  -3.310
  499    H    SER  62           H        SER  62  -2.035   3.627  -7.012
  500    HA   SER  62           HA       SER  62  -3.580   5.263  -5.315
  501    HB2  SER  62           HB2      SER  62  -4.391   6.243  -7.558
  502    HB3  SER  62           HB3      SER  62  -2.663   6.325  -7.212
  503    HG   SER  62           HG       SER  62  -2.403   5.278  -9.003
  504    H    GLN  63           H        GLN  63  -4.511   2.907  -7.797
  505    HA   GLN  63           HA       GLN  63  -7.288   3.113  -7.453
  506    HB2  GLN  63           HB2      GLN  63  -7.478   1.193  -8.771
  507    HB3  GLN  63           HB3      GLN  63  -5.939   1.866  -9.285
  508    HG2  GLN  63           HG2      GLN  63  -4.798   0.296  -7.738
  509    HG3  GLN  63           HG3      GLN  63  -6.364  -0.421  -7.379
  510   HE21  GLN  63          HE21      GLN  63  -5.313   0.695 -10.547
  511   HE22  GLN  63          HE22      GLN  63  -5.244  -0.874 -11.279
  512    H    TRP  64           H        TRP  64  -4.799   1.511  -5.614
  513    HA   TRP  64           HA       TRP  64  -6.430  -0.312  -4.252
  514    HB2  TRP  64           HB2      TRP  64  -4.005  -0.568  -4.216
  515    HB3  TRP  64           HB3      TRP  64  -3.839   0.947  -3.331
  516    HD1  TRP  64           HD1      TRP  64  -3.105   0.289  -0.946
  517    HE1  TRP  64           HE1      TRP  64  -3.960  -1.350   0.836
  518    HE3  TRP  64           HE3      TRP  64  -6.697  -2.116  -3.686
  519    HZ2  TRP  64           HZ2      TRP  64  -5.894  -3.387   1.058
  520    HZ3  TRP  64           HZ3      TRP  64  -8.003  -3.888  -2.612
  521    HH2  TRP  64           HH2      TRP  64  -7.610  -4.513  -0.289
  522    H    PHE  65           H        PHE  65  -5.598   3.067  -3.558
  523    HA   PHE  65           HA       PHE  65  -6.768   3.277  -1.042
  524    HB2  PHE  65           HB2      PHE  65  -6.722   5.307  -3.282
  525    HB3  PHE  65           HB3      PHE  65  -7.237   5.669  -1.641
  526    HD1  PHE  65           HD2      PHE  65  -5.414   4.784   0.182
  527    HD2  PHE  65           HD1      PHE  65  -4.624   5.954  -3.827
  528    HE1  PHE  65           HE2      PHE  65  -3.081   5.283   0.791
  529    HE2  PHE  65           HE1      PHE  65  -2.293   6.448  -3.230
  530    HZ   PHE  65           HZ       PHE  65  -1.514   6.127  -0.920
  531    H    GLU  66           H        GLU  66  -8.267   3.465  -4.248
  532    HA   GLU  66           HA       GLU  66 -10.913   3.836  -3.193
  533    HB2  GLU  66           HB2      GLU  66  -9.998   2.964  -5.933
  534    HB3  GLU  66           HB3      GLU  66 -11.656   3.355  -5.506
  535    HG2  GLU  66           HG2      GLU  66 -10.956   5.641  -4.957
  536    HG3  GLU  66           HG3      GLU  66  -9.311   5.238  -5.454
  537    H    HIS  67           H        HIS  67  -9.041   1.087  -4.364
  538    HA   HIS  67           HA       HIS  67 -11.142  -0.788  -4.387
  539    HB2  HIS  67           HB2      HIS  67  -8.154  -1.040  -4.313
  540    HB3  HIS  67           HB3      HIS  67  -9.169  -2.468  -4.160
  541    HD1  HIS  67           HD1      HIS  67  -8.711  -3.561  -6.367
  542    HD2  HIS  67           HD2      HIS  67  -9.830   0.428  -6.765
  543    HE1  HIS  67           HE1      HIS  67  -8.977  -3.170  -8.838
  544    HE2  HIS  67           HE2      HIS  67  -9.478  -0.713  -9.063
  545    H    GLN  68           H        GLN  68  -8.732  -0.022  -1.872
  546    HA   GLN  68           HA       GLN  68  -9.643  -2.023  -0.072
  547    HB2  GLN  68           HB2      GLN  68  -8.303  -0.911   1.617
  548    HB3  GLN  68           HB3      GLN  68  -7.403  -0.973   0.107
  549    HG2  GLN  68           HG2      GLN  68  -7.841   1.339  -0.321
  550    HG3  GLN  68           HG3      GLN  68  -8.940   1.432   1.054
  551   HE21  GLN  68          HE21      GLN  68  -7.753   3.097   1.972
  552   HE22  GLN  68          HE22      GLN  68  -6.230   2.825   2.737
  553    H    GLU  69           H        GLU  69 -10.668   1.195  -0.822
  554    HA   GLU  69           HA       GLU  69 -12.158   1.834   1.445
  555    HB2  GLU  69           HB2      GLU  69 -11.701   3.403  -0.384
  556    HB3  GLU  69           HB3      GLU  69 -12.743   2.472  -1.450
  557    HG2  GLU  69           HG2      GLU  69 -14.660   3.003  -0.032
  558    HG3  GLU  69           HG3      GLU  69 -13.609   3.950   1.023
  559    H    ARG  70           H        ARG  70 -12.892  -0.267  -1.286
  560    HA   ARG  70           HA       ARG  70 -15.474  -0.885  -0.039
  561    HB2  ARG  70           HB2      ARG  70 -15.985  -2.023  -2.240
  562    HB3  ARG  70           HB3      ARG  70 -15.863  -0.270  -2.265
  563    HG2  ARG  70           HG2      ARG  70 -13.669  -0.393  -3.254
  564    HG3  ARG  70           HG3      ARG  70 -13.673  -2.154  -3.118
  565    HD2  ARG  70           HD2      ARG  70 -15.416  -2.364  -4.706
  566    HD3  ARG  70           HD3      ARG  70 -15.759  -0.637  -4.663
  567    HE   ARG  70           HE       ARG  70 -13.426  -0.424  -5.659
  568   HH11  ARG  70          HH11      ARG  70 -15.521  -3.171  -6.239
  569   HH12  ARG  70          HH12      ARG  70 -14.886  -3.480  -7.825
  570   HH21  ARG  70          HH21      ARG  70 -12.600  -0.818  -7.734
  571   HH22  ARG  70          HH22      ARG  70 -13.199  -2.159  -8.667
  572    H    LYS  71           H        LYS  71 -12.537  -1.967   0.356
  573    HA   LYS  71           HA       LYS  71 -13.444  -4.752   0.700
  574    HB2  LYS  71           HB2      LYS  71 -10.666  -3.824  -0.065
  575    HB3  LYS  71           HB3      LYS  71 -11.099  -5.481   0.337
  576    HG2  LYS  71           HG2      LYS  71 -12.549  -5.626  -1.554
  577    HG3  LYS  71           HG3      LYS  71 -12.299  -3.919  -1.922
  578    HD2  LYS  71           HD2      LYS  71  -9.867  -4.430  -2.207
  579    HD3  LYS  71           HD3      LYS  71 -10.276  -6.142  -2.061
  580    HE2  LYS  71           HE2      LYS  71 -11.557  -4.306  -4.055
  581    HE3  LYS  71           HE3      LYS  71 -10.100  -5.235  -4.410
  582    HZ1  LYS  71           HZ1      LYS  71 -12.490  -6.621  -3.376
  583    HZ2  LYS  71           HZ2      LYS  71 -11.243  -7.218  -4.363
  584    HZ3  LYS  71           HZ3      LYS  71 -12.419  -6.188  -5.014
  585    H    LEU  72           H        LEU  72 -11.017  -5.532   2.077
  586    HA   LEU  72           HA       LEU  72 -10.267  -5.743   4.190
  587    HB2  LEU  72           HB2      LEU  72 -10.606  -2.762   4.031
  588    HB3  LEU  72           HB3      LEU  72  -9.989  -3.540   5.472
  589    HG   LEU  72           HG       LEU  72  -8.084  -4.410   4.191
  590   HD11  LEU  72          HD11      LEU  72  -7.655  -3.633   1.922
  591   HD12  LEU  72          HD12      LEU  72  -9.228  -2.834   1.893
  592   HD13  LEU  72          HD13      LEU  72  -9.134  -4.592   1.995
  593   HD21  LEU  72          HD21      LEU  72  -6.965  -2.275   3.840
  594   HD22  LEU  72          HD22      LEU  72  -7.911  -2.275   5.328
  595   HD23  LEU  72          HD23      LEU  72  -8.523  -1.453   3.893
  596    H    HIS  73           H        HIS  73 -12.375  -3.036   4.904
  597    HA   HIS  73           HA       HIS  73 -14.355  -4.659   6.234
  598    HB2  HIS  73           HB2      HIS  73 -12.515  -4.575   7.881
  599    HB3  HIS  73           HB3      HIS  73 -12.532  -2.820   7.815
  600    HD1  HIS  73           HD1      HIS  73 -13.385  -2.082  10.016
  601    HD2  HIS  73           HD2      HIS  73 -15.591  -5.256   8.472
  602    HE1  HIS  73           HE1      HIS  73 -15.282  -2.441  11.626
  603    HE2  HIS  73           HE2      HIS  73 -16.478  -4.494  10.783
  604    H    GLY  74           H        GLY  74 -13.617  -2.240   4.307
  605    HA2  GLY  74           HA2      GLY  74 -14.749  -0.362   3.584
  606    HA3  GLY  74           HA3      GLY  74 -15.964  -0.668   4.819
  607    H    THR  75           H        THR  75 -12.697  -0.560   5.815
  608    HA   THR  75           HA       THR  75 -13.069   2.127   6.913
  609    HB   THR  75           HB       THR  75 -11.870   1.229   8.984
  610    HG1  THR  75           HG1      THR  75 -11.188  -0.771   8.519
  611   HG21  THR  75          HG21      THR  75 -13.939   0.416   9.997
  612   HG22  THR  75          HG22      THR  75 -14.645   0.187   8.397
  613   HG23  THR  75          HG23      THR  75 -14.258   1.812   8.967
  614    H    LEU  76           H        LEU  76 -11.200   3.309   7.226
  615    HA   LEU  76           HA       LEU  76  -8.619   2.240   6.686
  616    HB2  LEU  76           HB2      LEU  76  -8.127   3.737   4.773
  617    HB3  LEU  76           HB3      LEU  76  -9.264   2.460   4.402
  618    HG   LEU  76           HG       LEU  76 -11.108   4.160   4.711
  619   HD11  LEU  76          HD11      LEU  76 -10.618   6.420   4.903
  620   HD12  LEU  76          HD12      LEU  76  -8.940   6.188   4.399
  621   HD13  LEU  76          HD13      LEU  76  -9.462   5.635   5.997
  622   HD21  LEU  76          HD21      LEU  76 -10.382   3.472   2.499
  623   HD22  LEU  76          HD22      LEU  76  -9.052   4.628   2.553
  624   HD23  LEU  76          HD23      LEU  76 -10.718   5.203   2.511
  625    HA   PRO  77           HA       PRO  77  -7.650   5.666   9.255
  626    HB2  PRO  77           HB2      PRO  77  -5.019   5.890   8.976
  627    HB3  PRO  77           HB3      PRO  77  -5.739   4.399   9.598
  628    HG2  PRO  77           HG2      PRO  77  -4.712   4.999   6.852
  629    HG3  PRO  77           HG3      PRO  77  -4.513   3.530   7.825
  630    HD2  PRO  77           HD2      PRO  77  -6.407   3.881   5.826
  631    HD3  PRO  77           HD3      PRO  77  -6.502   2.675   7.124
  632    H    LYS  78           H        LYS  78  -6.337   7.799   9.300
  633    HA   LYS  78           HA       LYS  78  -7.306   9.381   7.098
  634    HB2  LYS  78           HB2      LYS  78  -5.835  10.127   9.626
  635    HB3  LYS  78           HB3      LYS  78  -6.379  11.296   8.429
  636    HG2  LYS  78           HG2      LYS  78  -8.164   9.401   9.944
  637    HG3  LYS  78           HG3      LYS  78  -7.920  11.108  10.325
  638    HD2  LYS  78           HD2      LYS  78  -8.842  11.754   8.183
  639    HD3  LYS  78           HD3      LYS  78  -8.989  10.063   7.706
  640    HE2  LYS  78           HE2      LYS  78 -11.128  11.075   8.456
  641    HE3  LYS  78           HE3      LYS  78 -10.644   9.667   9.400
  642    HZ1  LYS  78           HZ1      LYS  78  -9.868  11.095  11.142
  643    HZ2  LYS  78           HZ2      LYS  78 -11.463  11.521  10.770
  644    HZ3  LYS  78           HZ3      LYS  78 -10.181  12.484  10.221
  645    H    LEU  79           H        LEU  79  -6.022   8.516   5.428
  646    HA   LEU  79           HA       LEU  79  -3.172   9.143   5.513
  647    HB2  LEU  79           HB2      LEU  79  -4.760   7.752   3.361
  648    HB3  LEU  79           HB3      LEU  79  -3.019   7.900   3.427
  649    HG   LEU  79           HG       LEU  79  -4.694   6.368   5.411
  650   HD11  LEU  79          HD11      LEU  79  -3.679   4.382   4.378
  651   HD12  LEU  79          HD12      LEU  79  -2.926   5.414   3.162
  652   HD13  LEU  79          HD13      LEU  79  -4.683   5.281   3.241
  653   HD21  LEU  79          HD21      LEU  79  -2.525   5.533   6.210
  654   HD22  LEU  79          HD22      LEU  79  -2.678   7.279   6.414
  655   HD23  LEU  79          HD23      LEU  79  -1.705   6.628   5.095
  656    H    ASN  80           H        ASN  80  -2.615  11.094   4.938
  657    HA   ASN  80           HA       ASN  80  -4.155  12.779   3.217
  658    HB2  ASN  80           HB2      ASN  80  -2.047  14.228   3.340
  659    HB3  ASN  80           HB3      ASN  80  -2.860  13.887   4.866
  660   HD21  ASN  80          HD21      ASN  80  -0.240  12.771   2.782
  661   HD22  ASN  80          HD22      ASN  80   0.787  12.229   4.068
  662    H    PHE  81           H        PHE  81  -3.568  10.338   1.935
  663    HA   PHE  81           HA       PHE  81  -1.492  11.008  -0.017
  664    HB2  PHE  81           HB2      PHE  81  -2.940   8.399   0.484
  665    HB3  PHE  81           HB3      PHE  81  -1.668   8.647  -0.705
  666    HD1  PHE  81           HD1      PHE  81   0.107  10.421   1.004
  667    HD2  PHE  81           HD2      PHE  81  -1.896   6.755   1.812
  668    HE1  PHE  81           HE1      PHE  81   1.804   9.873   2.697
  669    HE2  PHE  81           HE2      PHE  81  -0.203   6.202   3.510
  670    HZ   PHE  81           HZ       PHE  81   1.649   7.762   3.953
  671    H    GLY  82           H        GLY  82  -4.450  11.907   0.278
  672    HA2  GLY  82           HA2      GLY  82  -5.802  11.085  -2.062
  673    HA3  GLY  82           HA3      GLY  82  -6.093  12.579  -1.178
  674    H    MET  83           H        MET  83  -3.101  13.013  -1.567
  675    HA   MET  83           HA       MET  83  -3.013  14.944  -3.461
  676    HB2  MET  83           HB2      MET  83  -0.569  14.583  -3.500
  677    HB3  MET  83           HB3      MET  83  -1.224  14.539  -1.866
  678    HG2  MET  83           HG2      MET  83  -1.269  12.038  -2.060
  679    HG3  MET  83           HG3      MET  83  -0.378  12.215  -3.567
  680    HE1  MET  83           HE1      MET  83   2.264  10.794  -1.041
  681    HE2  MET  83           HE2      MET  83   1.467  10.549  -2.596
  682    HE3  MET  83           HE3      MET  83   0.541  10.425  -1.100
  683    H    LEU  84           H        LEU  84  -2.922  11.529  -4.049
  684    HA   LEU  84           HA       LEU  84  -2.505  12.073  -6.888
  685    HB2  LEU  84           HB2      LEU  84  -1.345   9.808  -6.979
  686    HB3  LEU  84           HB3      LEU  84  -0.461  11.181  -6.343
  687    HG   LEU  84           HG       LEU  84  -0.907  10.393  -4.052
  688   HD11  LEU  84          HD11      LEU  84  -2.000   7.895  -5.282
  689   HD12  LEU  84          HD12      LEU  84  -3.023   9.227  -4.743
  690   HD13  LEU  84          HD13      LEU  84  -1.994   8.379  -3.582
  691   HD21  LEU  84          HD21      LEU  84   0.311   8.291  -5.830
  692   HD22  LEU  84          HD22      LEU  84   0.598   8.492  -4.101
  693   HD23  LEU  84          HD23      LEU  84   1.136   9.733  -5.236
  694    H    ARG  85           H        ARG  85  -4.890  11.316  -5.015
  695    HA   ARG  85           HA       ARG  85  -5.764   8.812  -6.121
  696    HB2  ARG  85           HB2      ARG  85  -7.320  10.903  -4.603
  697    HB3  ARG  85           HB3      ARG  85  -7.927   9.318  -5.043
  698    HG2  ARG  85           HG2      ARG  85  -5.992   8.373  -3.690
  699    HG3  ARG  85           HG3      ARG  85  -5.784  10.011  -3.059
  700    HD2  ARG  85           HD2      ARG  85  -8.125   8.156  -2.752
  701    HD3  ARG  85           HD3      ARG  85  -7.175   8.953  -1.497
  702    HE   ARG  85           HE       ARG  85  -8.245  11.058  -2.728
  703   HH11  ARG  85          HH11      ARG  85  -9.738   8.053  -1.673
  704   HH12  ARG  85          HH12      ARG  85 -11.302   8.767  -1.471
  705   HH21  ARG  85          HH21      ARG  85 -10.307  11.983  -2.439
  706   HH22  ARG  85          HH22      ARG  85 -11.636  10.984  -1.916
  707    H    LYS  86           H        LYS  86  -5.919   8.880  -8.288
  708    HA   LYS  86           HA       LYS  86  -6.760   9.277 -10.340
  709    HB2  LYS  86           HB2      LYS  86  -9.003  10.326  -8.657
  710    HB3  LYS  86           HB3      LYS  86  -9.065  10.413 -10.415
  711    HG2  LYS  86           HG2      LYS  86  -8.994   8.068 -10.635
  712    HG3  LYS  86           HG3      LYS  86  -8.537   7.849  -8.945
  713    HD2  LYS  86           HD2      LYS  86 -11.177   8.916  -9.937
  714    HD3  LYS  86           HD3      LYS  86 -10.884   7.286  -9.322
  715    HE2  LYS  86           HE2      LYS  86 -10.095   8.343  -7.189
  716    HE3  LYS  86           HE3      LYS  86 -10.679   9.882  -7.819
  717    HZ1  LYS  86           HZ1      LYS  86 -12.333   7.452  -7.382
  718    HZ2  LYS  86           HZ2      LYS  86 -12.899   8.940  -7.972
  719    HZ3  LYS  86           HZ3      LYS  86 -12.320   8.823  -6.383
  720    H    MET  87           H        MET  87  -5.259  11.374  -8.680
  721    HA   MET  87           HA       MET  87  -5.542  13.517 -10.678
  722    HB2  MET  87           HB2      MET  87  -4.919  13.815  -7.733
  723    HB3  MET  87           HB3      MET  87  -4.818  15.119  -8.910
  724    HG2  MET  87           HG2      MET  87  -7.216  14.853  -9.377
  725    HG3  MET  87           HG3      MET  87  -7.298  13.601  -8.138
  726    HE1  MET  87           HE1      MET  87  -6.724  14.063  -5.567
  727    HE2  MET  87           HE2      MET  87  -6.374  15.665  -4.915
  728    HE3  MET  87           HE3      MET  87  -5.218  14.877  -5.990
  729    H    GLY  88           H        GLY  88  -3.785  11.041 -10.070
  730    HA2  GLY  88           HA2      GLY  88  -1.296  12.324 -10.875
  731    HA3  GLY  88           HA3      GLY  88  -1.254  11.333  -9.421
  Start of MODEL   22
    1    H1   PHE   1           HT1      PHE   1  16.669 -12.353   6.230
    2    H2   PHE   1           HT2      PHE   1  17.696 -12.560   4.895
    3    H3   PHE   1           HT3      PHE   1  16.122 -13.192   4.865
    4    HA   PHE   1           HA       PHE   1  16.808 -10.313   5.002
    5    HB2  PHE   1           HB2      PHE   1  17.352 -11.365   2.813
    6    HB3  PHE   1           HB3      PHE   1  15.692 -11.941   2.699
    7    HD1  PHE   1           HD2      PHE   1  17.757  -8.872   2.891
    8    HD2  PHE   1           HD1      PHE   1  14.012 -10.579   1.812
    9    HE1  PHE   1           HE2      PHE   1  17.107  -6.758   1.816
   10    HE2  PHE   1           HE1      PHE   1  13.354  -8.467   0.735
   11    HZ   PHE   1           HZ       PHE   1  14.903  -6.554   0.738
   12    H    LEU   2           H        LEU   2  15.370  -9.435   6.236
   13    HA   LEU   2           HA       LEU   2  12.539  -9.923   5.693
   14    HB2  LEU   2           HB2      LEU   2  12.775 -11.276   7.596
   15    HB3  LEU   2           HB3      LEU   2  13.919 -10.186   8.347
   16    HG   LEU   2           HG       LEU   2  12.083  -8.574   8.761
   17   HD11  LEU   2          HD11      LEU   2  10.301 -10.776   7.727
   18   HD12  LEU   2          HD12      LEU   2  10.569  -9.209   6.962
   19   HD13  LEU   2          HD13      LEU   2   9.761  -9.298   8.528
   20   HD21  LEU   2          HD21      LEU   2  10.992  -9.886  10.535
   21   HD22  LEU   2          HD22      LEU   2  12.740 -10.106  10.503
   22   HD23  LEU   2          HD23      LEU   2  11.681 -11.355   9.845
   23    H    LEU   3           H        LEU   3  12.025  -7.978   4.888
   24    HA   LEU   3           HA       LEU   3  13.163  -5.542   5.698
   25    HB2  LEU   3           HB2      LEU   3  10.626  -6.210   4.273
   26    HB3  LEU   3           HB3      LEU   3  11.112  -4.556   4.618
   27    HG   LEU   3           HG       LEU   3  12.590  -6.563   2.923
   28   HD11  LEU   3          HD11      LEU   3  10.679  -5.496   1.903
   29   HD12  LEU   3          HD12      LEU   3  12.186  -4.931   1.181
   30   HD13  LEU   3          HD13      LEU   3  11.325  -3.918   2.340
   31   HD21  LEU   3          HD21      LEU   3  13.412  -3.779   3.752
   32   HD22  LEU   3          HD22      LEU   3  14.228  -4.768   2.544
   33   HD23  LEU   3          HD23      LEU   3  14.200  -5.282   4.230
   34    HA   PRO   4           HA       PRO   4  11.444  -5.552   9.776
   35    HB2  PRO   4           HB2      PRO   4  12.386  -2.733   9.641
   36    HB3  PRO   4           HB3      PRO   4  12.715  -3.976  10.855
   37    HG2  PRO   4           HG2      PRO   4  14.579  -3.297   9.083
   38    HG3  PRO   4           HG3      PRO   4  14.356  -4.989   9.564
   39    HD2  PRO   4           HD2      PRO   4  13.500  -3.601   7.056
   40    HD3  PRO   4           HD3      PRO   4  14.135  -5.254   7.274
   41    HA   PRO   5           HA       PRO   5   7.386  -3.884   8.942
   42    HB2  PRO   5           HB2      PRO   5   6.751  -3.862  11.658
   43    HB3  PRO   5           HB3      PRO   5   6.364  -5.120  10.500
   44    HG2  PRO   5           HG2      PRO   5   8.527  -5.016  12.512
   45    HG3  PRO   5           HG3      PRO   5   7.705  -6.422  11.813
   46    HD2  PRO   5           HD2      PRO   5  10.232  -5.710  11.147
   47    HD3  PRO   5           HD3      PRO   5   9.125  -6.514  10.014
   48    H    SER   6           H        SER   6   6.833  -1.838   8.694
   49    HA   SER   6           HA       SER   6   6.611   0.394   8.982
   50    HB2  SER   6           HB2      SER   6   7.419  -0.293  11.811
   51    HB3  SER   6           HB3      SER   6   6.897   1.317  11.305
   52    HG   SER   6           HG       SER   6   5.282  -0.283  12.204
   53    H    THR   7           H        THR   7   9.316  -1.113   8.585
   54    HA   THR   7           HA       THR   7  10.887   1.379   8.528
   55    HB   THR   7           HB       THR   7  12.037  -1.418   8.720
   56    HG1  THR   7           HG1      THR   7  10.895  -0.053  10.632
   57   HG21  THR   7          HG21      THR   7  13.301   1.315   8.980
   58   HG22  THR   7          HG22      THR   7  13.510   0.196   7.632
   59   HG23  THR   7          HG23      THR   7  14.130  -0.221   9.231
   60    H    ALA   8           H        ALA   8  10.361   1.970   6.462
   61    HA   ALA   8           HA       ALA   8  10.342  -0.133   4.419
   62    HB1  ALA   8           HB1      ALA   8   8.928   1.349   3.107
   63    HB2  ALA   8           HB2      ALA   8   9.070   2.598   4.344
   64    HB3  ALA   8           HB3      ALA   8   8.245   1.085   4.711
   65    H    CYS   9           H        CYS   9  12.311  -0.288   3.564
   66    HA   CYS   9           HA       CYS   9  13.156   1.999   1.973
   67    HB2  CYS   9           HB2      CYS   9  14.540   2.018   4.063
   68    HB3  CYS   9           HB3      CYS   9  15.149   0.427   3.618
   69    H    CYS  10           H        CYS  10  11.899   0.419   0.622
   70    HA   CYS  10           HA       CYS  10  13.181  -2.019  -0.157
   71    HB2  CYS  10           HB2      CYS  10  10.940  -0.464  -1.467
   72    HB3  CYS  10           HB3      CYS  10  11.428  -2.099  -1.896
   73    H    THR  11           H        THR  11  14.956  -2.099  -1.368
   74    HA   THR  11           HA       THR  11  15.448  -0.019  -3.347
   75    HB   THR  11           HB       THR  11  17.555  -1.670  -3.644
   76    HG1  THR  11           HG1      THR  11  17.483  -3.118  -2.092
   77   HG21  THR  11          HG21      THR  11  17.685   0.707  -3.136
   78   HG22  THR  11          HG22      THR  11  18.759  -0.206  -2.075
   79   HG23  THR  11          HG23      THR  11  17.217   0.391  -1.466
   80    H    GLN  12           H        GLN  12  13.707  -2.733  -3.224
   81    HA   GLN  12           HA       GLN  12  13.958  -3.096  -6.108
   82    HB2  GLN  12           HB2      GLN  12  13.117  -5.504  -5.676
   83    HB3  GLN  12           HB3      GLN  12  14.816  -5.143  -5.455
   84    HG2  GLN  12           HG2      GLN  12  13.955  -6.619  -3.721
   85    HG3  GLN  12           HG3      GLN  12  14.528  -5.096  -3.051
   86   HE21  GLN  12          HE21      GLN  12  13.160  -3.848  -1.931
   87   HE22  GLN  12          HE22      GLN  12  11.504  -4.224  -1.628
   88    H    LEU  13           H        LEU  13  11.915  -3.954  -7.088
   89    HA   LEU  13           HA       LEU  13   9.542  -3.078  -5.614
   90    HB2  LEU  13           HB2      LEU  13  10.327  -2.123  -8.373
   91    HB3  LEU  13           HB3      LEU  13   8.762  -1.850  -7.635
   92    HG   LEU  13           HG       LEU  13  11.373  -0.791  -6.544
   93   HD11  LEU  13          HD11      LEU  13  10.885   0.264  -8.657
   94   HD12  LEU  13          HD12      LEU  13  10.542   1.392  -7.348
   95   HD13  LEU  13          HD13      LEU  13   9.221   0.560  -8.163
   96   HD21  LEU  13          HD21      LEU  13   8.503  -0.230  -5.798
   97   HD22  LEU  13          HD22      LEU  13   9.913   0.601  -5.141
   98   HD23  LEU  13          HD23      LEU  13   9.677  -1.119  -4.827
   99    H    TYR  14           H        TYR  14   7.730  -4.226  -6.069
  100    HA   TYR  14           HA       TYR  14   7.961  -6.692  -7.438
  101    HB2  TYR  14           HB2      TYR  14   6.391  -6.212  -5.538
  102    HB3  TYR  14           HB3      TYR  14   5.425  -5.241  -6.642
  103    HD1  TYR  14           HD2      TYR  14   6.776  -8.688  -6.214
  104    HD2  TYR  14           HD1      TYR  14   3.700  -6.244  -7.837
  105    HE1  TYR  14           HE2      TYR  14   5.536 -10.704  -6.879
  106    HE2  TYR  14           HE1      TYR  14   2.449  -8.251  -8.507
  107    HH   TYR  14           HH       TYR  14   3.255 -11.381  -7.403
  108    H    ARG  15           H        ARG  15   6.356  -3.640  -8.240
  109    HA   ARG  15           HA       ARG  15   6.107  -2.547 -10.207
  110    HB2  ARG  15           HB2      ARG  15   7.738  -4.835 -11.295
  111    HB3  ARG  15           HB3      ARG  15   7.178  -3.493 -12.286
  112    HG2  ARG  15           HG2      ARG  15   8.431  -1.924 -10.986
  113    HG3  ARG  15           HG3      ARG  15   8.866  -3.173  -9.820
  114    HD2  ARG  15           HD2      ARG  15  10.149  -4.341 -11.526
  115    HD3  ARG  15           HD3      ARG  15   9.679  -3.133 -12.723
  116    HE   ARG  15           HE       ARG  15  10.941  -1.491 -11.415
  117   HH11  ARG  15          HH11      ARG  15  11.602  -4.896 -10.852
  118   HH12  ARG  15          HH12      ARG  15  13.199  -4.604 -10.215
  119   HH21  ARG  15          HH21      ARG  15  13.019  -1.111 -10.561
  120   HH22  ARG  15          HH22      ARG  15  13.998  -2.451 -10.044
  121    H    LYS  16           H        LYS  16   5.371  -5.996 -10.353
  122    HA   LYS  16           HA       LYS  16   3.344  -5.709 -12.348
  123    HB2  LYS  16           HB2      LYS  16   4.002  -7.899 -10.387
  124    HB3  LYS  16           HB3      LYS  16   2.651  -8.007 -11.505
  125    HG2  LYS  16           HG2      LYS  16   4.192  -7.795 -13.387
  126    HG3  LYS  16           HG3      LYS  16   5.549  -7.707 -12.260
  127    HD2  LYS  16           HD2      LYS  16   5.106  -9.931 -11.467
  128    HD3  LYS  16           HD3      LYS  16   3.616 -10.009 -12.410
  129    HE2  LYS  16           HE2      LYS  16   6.372  -9.718 -13.591
  130    HE3  LYS  16           HE3      LYS  16   5.515 -11.248 -13.423
  131    HZ1  LYS  16           HZ1      LYS  16   5.204 -10.414 -15.628
  132    HZ2  LYS  16           HZ2      LYS  16   4.672  -8.912 -15.054
  133    HZ3  LYS  16           HZ3      LYS  16   3.725 -10.298 -14.808
  134    HA   PRO  17           HA       PRO  17  -0.037  -4.428  -9.773
  135    HB2  PRO  17           HB2      PRO  17  -1.856  -6.077 -11.358
  136    HB3  PRO  17           HB3      PRO  17  -1.766  -4.318 -11.245
  137    HG2  PRO  17           HG2      PRO  17  -1.035  -5.665 -13.470
  138    HG3  PRO  17           HG3      PRO  17  -0.248  -4.155 -12.969
  139    HD2  PRO  17           HD2      PRO  17   0.680  -6.983 -12.633
  140    HD3  PRO  17           HD3      PRO  17   1.609  -5.541 -13.097
  141    H    LEU  18           H        LEU  18  -1.143  -5.143  -8.003
  142    HA   LEU  18           HA       LEU  18  -0.765  -7.937  -7.296
  143    HB2  LEU  18           HB2      LEU  18  -1.800  -5.581  -5.722
  144    HB3  LEU  18           HB3      LEU  18  -1.646  -7.204  -5.077
  145    HG   LEU  18           HG       LEU  18   0.610  -5.430  -6.013
  146   HD11  LEU  18          HD11      LEU  18  -0.117  -6.460  -3.274
  147   HD12  LEU  18          HD12      LEU  18  -0.308  -4.802  -3.842
  148   HD13  LEU  18          HD13      LEU  18   1.304  -5.495  -3.672
  149   HD21  LEU  18          HD21      LEU  18   1.016  -7.790  -6.565
  150   HD22  LEU  18          HD22      LEU  18   0.720  -8.222  -4.881
  151   HD23  LEU  18          HD23      LEU  18   2.100  -7.208  -5.301
  152    H    SER  19           H        SER  19  -2.345  -9.414  -7.094
  153    HA   SER  19           HA       SER  19  -4.812  -9.026  -8.399
  154    HB2  SER  19           HB2      SER  19  -4.008 -11.241  -6.499
  155    HB3  SER  19           HB3      SER  19  -5.315 -11.306  -7.683
  156    HG   SER  19           HG       SER  19  -3.894 -11.488  -9.288
  157    H    ASP  20           H        ASP  20  -6.888  -8.801  -7.606
  158    HA   ASP  20           HA       ASP  20  -7.191  -7.170  -5.344
  159    HB2  ASP  20           HB2      ASP  20  -8.746  -7.277  -7.306
  160    HB3  ASP  20           HB3      ASP  20  -9.357  -8.801  -6.667
  161    H    LYS  21           H        LYS  21  -7.380 -10.610  -5.744
  162    HA   LYS  21           HA       LYS  21  -8.714 -11.376  -3.433
  163    HB2  LYS  21           HB2      LYS  21  -6.332 -12.800  -4.621
  164    HB3  LYS  21           HB3      LYS  21  -7.639 -13.510  -3.686
  165    HG2  LYS  21           HG2      LYS  21  -9.204 -13.098  -5.475
  166    HG3  LYS  21           HG3      LYS  21  -7.967 -12.246  -6.400
  167    HD2  LYS  21           HD2      LYS  21  -8.110 -14.437  -7.308
  168    HD3  LYS  21           HD3      LYS  21  -6.622 -14.371  -6.361
  169    HE2  LYS  21           HE2      LYS  21  -7.680 -16.440  -5.865
  170    HE3  LYS  21           HE3      LYS  21  -7.895 -15.395  -4.461
  171    HZ1  LYS  21           HZ1      LYS  21  -9.944 -16.512  -4.945
  172    HZ2  LYS  21           HZ2      LYS  21  -9.916 -15.994  -6.557
  173    HZ3  LYS  21           HZ3      LYS  21 -10.142 -14.868  -5.309
  174    H    LEU  22           H        LEU  22  -5.236 -10.779  -3.928
  175    HA   LEU  22           HA       LEU  22  -4.683 -11.121  -1.143
  176    HB2  LEU  22           HB2      LEU  22  -2.421 -10.502  -1.635
  177    HB3  LEU  22           HB3      LEU  22  -2.994 -11.630  -2.842
  178    HG   LEU  22           HG       LEU  22  -3.451  -9.438  -4.229
  179   HD11  LEU  22          HD11      LEU  22  -1.295  -8.574  -2.307
  180   HD12  LEU  22          HD12      LEU  22  -2.902  -7.863  -2.473
  181   HD13  LEU  22          HD13      LEU  22  -1.738  -7.732  -3.792
  182   HD21  LEU  22          HD21      LEU  22  -1.218  -9.659  -5.197
  183   HD22  LEU  22          HD22      LEU  22  -1.936 -11.235  -4.871
  184   HD23  LEU  22          HD23      LEU  22  -0.700 -10.590  -3.793
  185    H    LEU  23           H        LEU  23  -5.570  -8.462  -3.190
  186    HA   LEU  23           HA       LEU  23  -4.609  -6.334  -1.649
  187    HB2  LEU  23           HB2      LEU  23  -6.983  -6.487  -3.499
  188    HB3  LEU  23           HB3      LEU  23  -6.455  -5.001  -2.737
  189    HG   LEU  23           HG       LEU  23  -4.823  -6.666  -4.658
  190   HD11  LEU  23          HD11      LEU  23  -6.145  -3.974  -4.993
  191   HD12  LEU  23          HD12      LEU  23  -6.642  -5.483  -5.763
  192   HD13  LEU  23          HD13      LEU  23  -5.085  -4.757  -6.167
  193   HD21  LEU  23          HD21      LEU  23  -3.223  -4.831  -4.570
  194   HD22  LEU  23          HD22      LEU  23  -3.430  -5.572  -2.981
  195   HD23  LEU  23          HD23      LEU  23  -4.201  -4.026  -3.341
  196    H    ARG  24           H        ARG  24  -7.754  -7.997  -1.511
  197    HA   ARG  24           HA       ARG  24  -8.944  -6.317   0.386
  198    HB2  ARG  24           HB2      ARG  24 -10.481  -8.198   0.826
  199    HB3  ARG  24           HB3      ARG  24 -10.255  -7.884  -0.891
  200    HG2  ARG  24           HG2      ARG  24  -8.737  -9.761  -1.067
  201    HG3  ARG  24           HG3      ARG  24  -8.857 -10.044   0.671
  202    HD2  ARG  24           HD2      ARG  24 -11.199 -10.147  -1.219
  203    HD3  ARG  24           HD3      ARG  24 -10.255 -11.558  -0.740
  204    HE   ARG  24           HE       ARG  24 -11.153 -10.176   1.557
  205   HH11  ARG  24          HH11      ARG  24 -12.328 -12.212  -1.044
  206   HH12  ARG  24          HH12      ARG  24 -13.654 -12.852  -0.110
  207   HH21  ARG  24          HH21      ARG  24 -12.875 -11.044   2.789
  208   HH22  ARG  24          HH22      ARG  24 -13.955 -12.192   2.063
  209    H    LYS  25           H        LYS  25  -6.216  -8.062   0.911
  210    HA   LYS  25           HA       LYS  25  -6.778  -8.410   3.776
  211    HB2  LYS  25           HB2      LYS  25  -4.633  -9.693   2.132
  212    HB3  LYS  25           HB3      LYS  25  -4.880  -9.930   3.850
  213    HG2  LYS  25           HG2      LYS  25  -7.140 -10.839   3.350
  214    HG3  LYS  25           HG3      LYS  25  -6.746 -10.745   1.633
  215    HD2  LYS  25           HD2      LYS  25  -5.175 -12.297   3.682
  216    HD3  LYS  25           HD3      LYS  25  -6.378 -12.993   2.594
  217    HE2  LYS  25           HE2      LYS  25  -4.007 -11.438   1.622
  218    HE3  LYS  25           HE3      LYS  25  -3.949 -13.182   1.882
  219    HZ1  LYS  25           HZ1      LYS  25  -5.881 -13.342   0.332
  220    HZ2  LYS  25           HZ2      LYS  25  -4.446 -12.807  -0.394
  221    HZ3  LYS  25           HZ3      LYS  25  -5.673 -11.700  -0.023
  222    H    VAL  26           H        VAL  26  -5.357  -6.338   1.638
  223    HA   VAL  26           HA       VAL  26  -2.933  -5.804   3.092
  224    HB   VAL  26           HB       VAL  26  -4.254  -4.018   1.044
  225   HG11  VAL  26          HG11      VAL  26  -2.530  -2.975   2.438
  226   HG12  VAL  26          HG12      VAL  26  -2.015  -3.118   0.758
  227   HG13  VAL  26          HG13      VAL  26  -1.399  -4.246   1.970
  228   HG21  VAL  26          HG21      VAL  26  -3.894  -6.239   0.093
  229   HG22  VAL  26          HG22      VAL  26  -2.212  -6.199   0.622
  230   HG23  VAL  26          HG23      VAL  26  -2.778  -5.065  -0.605
  231    H    ILE  27           H        ILE  27  -3.327  -5.236   5.126
  232    HA   ILE  27           HA       ILE  27  -5.667  -3.776   5.852
  233    HB   ILE  27           HB       ILE  27  -4.879  -4.044   8.152
  234   HG12  ILE  27          HG12      ILE  27  -2.432  -5.318   6.903
  235   HG13  ILE  27          HG13      ILE  27  -2.455  -3.734   7.668
  236   HG21  ILE  27          HG21      ILE  27  -4.885  -6.503   8.196
  237   HG22  ILE  27          HG22      ILE  27  -4.584  -6.532   6.455
  238   HG23  ILE  27          HG23      ILE  27  -6.095  -5.868   7.081
  239   HD11  ILE  27          HD11      ILE  27  -1.528  -5.405   9.150
  240   HD12  ILE  27          HD12      ILE  27  -3.000  -6.366   9.016
  241   HD13  ILE  27          HD13      ILE  27  -3.049  -4.783   9.796
  242    H    GLN  28           H        GLN  28  -2.370  -2.908   5.209
  243    HA   GLN  28           HA       GLN  28  -2.967  -0.162   6.051
  244    HB2  GLN  28           HB2      GLN  28  -0.520  -1.745   6.834
  245    HB3  GLN  28           HB3      GLN  28  -0.612   0.005   6.950
  246    HG2  GLN  28           HG2      GLN  28  -2.482  -1.882   8.361
  247    HG3  GLN  28           HG3      GLN  28  -1.022  -1.207   9.082
  248   HE21  GLN  28          HE21      GLN  28  -4.263  -0.562   8.015
  249   HE22  GLN  28          HE22      GLN  28  -4.405   0.998   8.754
  250    H    VAL  29           H        VAL  29  -1.982   1.437   4.873
  251    HA   VAL  29           HA       VAL  29  -0.337   0.593   2.580
  252    HB   VAL  29           HB       VAL  29  -2.061   3.075   2.814
  253   HG11  VAL  29          HG11      VAL  29  -0.126   3.466   1.413
  254   HG12  VAL  29          HG12      VAL  29  -1.573   3.353   0.413
  255   HG13  VAL  29          HG13      VAL  29  -0.453   1.994   0.501
  256   HG21  VAL  29          HG21      VAL  29  -3.478   2.019   1.116
  257   HG22  VAL  29          HG22      VAL  29  -3.434   1.084   2.612
  258   HG23  VAL  29          HG23      VAL  29  -2.496   0.557   1.212
  259    H    GLU  30           H        GLU  30   1.729   1.248   2.663
  260    HA   GLU  30           HA       GLU  30   2.393   3.234   4.735
  261    HB2  GLU  30           HB2      GLU  30   4.368   1.225   3.736
  262    HB3  GLU  30           HB3      GLU  30   4.252   1.984   5.319
  263    HG2  GLU  30           HG2      GLU  30   2.182   0.662   5.721
  264    HG3  GLU  30           HG3      GLU  30   2.500  -0.184   4.200
  265    H    LEU  31           H        LEU  31   3.537   4.986   4.185
  266    HA   LEU  31           HA       LEU  31   4.460   5.170   1.415
  267    HB2  LEU  31           HB2      LEU  31   3.017   6.978   2.138
  268    HB3  LEU  31           HB3      LEU  31   4.053   7.299   3.515
  269    HG   LEU  31           HG       LEU  31   5.829   8.079   2.052
  270   HD11  LEU  31          HD11      LEU  31   5.470   8.308  -0.362
  271   HD12  LEU  31          HD12      LEU  31   3.945   7.435  -0.211
  272   HD13  LEU  31          HD13      LEU  31   5.467   6.618   0.147
  273   HD21  LEU  31          HD21      LEU  31   4.737  10.069   1.147
  274   HD22  LEU  31          HD22      LEU  31   4.162   9.691   2.771
  275   HD23  LEU  31          HD23      LEU  31   3.163   9.302   1.368
  276    H    GLN  32           H        GLN  32   6.410   4.347   1.219
  277    HA   GLN  32           HA       GLN  32   8.475   4.556   3.176
  278    HB2  GLN  32           HB2      GLN  32   8.598   2.720   1.687
  279    HB3  GLN  32           HB3      GLN  32   8.416   3.755   0.277
  280    HG2  GLN  32           HG2      GLN  32  10.611   4.666   0.597
  281    HG3  GLN  32           HG3      GLN  32  10.795   3.788   2.116
  282   HE21  GLN  32          HE21      GLN  32  12.311   3.765  -0.419
  283   HE22  GLN  32          HE22      GLN  32  12.366   2.104  -0.891
  284    H    GLU  33           H        GLU  33   9.113   6.557   3.720
  285    HA   GLU  33           HA       GLU  33   9.196   8.682   1.803
  286    HB2  GLU  33           HB2      GLU  33  10.234   8.584   4.642
  287    HB3  GLU  33           HB3      GLU  33  10.099  10.035   3.657
  288    HG2  GLU  33           HG2      GLU  33   7.640   9.599   3.514
  289    HG3  GLU  33           HG3      GLU  33   7.866   8.312   4.698
  290    H    ALA  34           H        ALA  34  10.940   9.649   0.891
  291    HA   ALA  34           HA       ALA  34  13.286   7.986   0.565
  292    HB1  ALA  34           HB1      ALA  34  12.618  10.670  -0.642
  293    HB2  ALA  34           HB2      ALA  34  12.263   9.100  -1.367
  294    HB3  ALA  34           HB3      ALA  34  13.936   9.607  -1.133
  295    H    ASP  35           H        ASP  35  12.414   9.999   2.910
  296    HA   ASP  35           HA       ASP  35  15.184  10.701   3.489
  297    HB2  ASP  35           HB2      ASP  35  14.606  12.955   4.184
  298    HB3  ASP  35           HB3      ASP  35  14.072  12.715   2.524
  299    H    GLY  36           H        GLY  36  11.868  10.408   4.700
  300    HA2  GLY  36           HA2      GLY  36  12.524  10.602   7.443
  301    HA3  GLY  36           HA3      GLY  36  11.036   9.944   6.785
  302    H    ASP  37           H        ASP  37  12.813   7.984   5.228
  303    HA   ASP  37           HA       ASP  37  13.629   6.235   7.429
  304    HB2  ASP  37           HB2      ASP  37  11.200   5.790   6.782
  305    HB3  ASP  37           HB3      ASP  37  11.810   5.245   5.225
  306    H    CYS  38           H        CYS  38  13.094   6.102   3.926
  307    HA   CYS  38           HA       CYS  38  15.640   4.687   3.628
  308    HB2  CYS  38           HB2      CYS  38  13.444   3.770   2.733
  309    HB3  CYS  38           HB3      CYS  38  13.462   5.106   1.584
  310    H    HIS  39           H        HIS  39  16.398   5.179   1.134
  311    HA   HIS  39           HA       HIS  39  16.732   8.096   0.929
  312    HB2  HIS  39           HB2      HIS  39  18.673   7.620  -0.494
  313    HB3  HIS  39           HB3      HIS  39  18.824   6.800   1.053
  314    HD1  HIS  39           HD1      HIS  39  18.728   4.214   1.052
  315    HD2  HIS  39           HD2      HIS  39  18.429   5.935  -2.729
  316    HE1  HIS  39           HE1      HIS  39  19.051   2.328  -0.587
  317    HE2  HIS  39           HE2      HIS  39  19.061   3.428  -2.859
  318    H    LEU  40           H        LEU  40  14.890   5.656  -0.207
  319    HA   LEU  40           HA       LEU  40  14.310   7.032  -2.739
  320    HB2  LEU  40           HB2      LEU  40  15.541   4.925  -3.148
  321    HB3  LEU  40           HB3      LEU  40  14.338   4.045  -2.232
  322    HG   LEU  40           HG       LEU  40  13.456   5.573  -4.649
  323   HD11  LEU  40          HD11      LEU  40  14.793   2.866  -4.704
  324   HD12  LEU  40          HD12      LEU  40  15.427   4.354  -5.406
  325   HD13  LEU  40          HD13      LEU  40  13.956   3.631  -6.056
  326   HD21  LEU  40          HD21      LEU  40  12.620   2.947  -3.414
  327   HD22  LEU  40          HD22      LEU  40  11.860   3.724  -4.803
  328   HD23  LEU  40          HD23      LEU  40  11.792   4.491  -3.215
  329    H    GLN  41           H        GLN  41  12.120   7.330  -3.148
  330    HA   GLN  41           HA       GLN  41  10.380   6.758  -0.871
  331    HB2  GLN  41           HB2      GLN  41  10.446   9.066  -1.631
  332    HB3  GLN  41           HB3      GLN  41   9.979   8.574  -3.255
  333    HG2  GLN  41           HG2      GLN  41   7.811   7.945  -2.534
  334    HG3  GLN  41           HG3      GLN  41   8.260   8.103  -0.837
  335   HE21  GLN  41          HE21      GLN  41   7.450   9.812  -3.757
  336   HE22  GLN  41          HE22      GLN  41   7.162  11.344  -3.012
  337    H    ALA  42           H        ALA  42   8.724   5.396  -0.910
  338    HA   ALA  42           HA       ALA  42   7.800   4.297  -3.449
  339    HB1  ALA  42           HB1      ALA  42   8.785   2.575  -1.183
  340    HB2  ALA  42           HB2      ALA  42   9.596   2.806  -2.734
  341    HB3  ALA  42           HB3      ALA  42   8.027   2.000  -2.669
  342    H    PHE  43           H        PHE  43   5.898   2.819  -3.077
  343    HA   PHE  43           HA       PHE  43   4.344   3.574  -0.693
  344    HB2  PHE  43           HB2      PHE  43   3.591   3.600  -3.552
  345    HB3  PHE  43           HB3      PHE  43   2.418   2.845  -2.480
  346    HD1  PHE  43           HD1      PHE  43   1.600   4.188  -0.487
  347    HD2  PHE  43           HD2      PHE  43   3.703   5.917  -3.755
  348    HE1  PHE  43           HE1      PHE  43   0.706   6.398   0.117
  349    HE2  PHE  43           HE2      PHE  43   2.815   8.133  -3.158
  350    HZ   PHE  43           HZ       PHE  43   1.317   8.376  -1.218
  351    H    VAL  44           H        VAL  44   4.429   1.842   0.579
  352    HA   VAL  44           HA       VAL  44   4.623  -0.791  -0.697
  353    HB   VAL  44           HB       VAL  44   5.530   0.170   2.017
  354   HG11  VAL  44          HG11      VAL  44   6.460  -2.083   2.353
  355   HG12  VAL  44          HG12      VAL  44   5.667  -2.626   0.874
  356   HG13  VAL  44          HG13      VAL  44   4.700  -2.112   2.258
  357   HG21  VAL  44          HG21      VAL  44   6.928   0.833   0.158
  358   HG22  VAL  44          HG22      VAL  44   6.990  -0.830  -0.422
  359   HG23  VAL  44          HG23      VAL  44   7.750  -0.401   1.114
  360    H    LEU  45           H        LEU  45   3.281  -2.431  -0.176
  361    HA   LEU  45           HA       LEU  45   0.881  -1.647   1.324
  362    HB2  LEU  45           HB2      LEU  45   1.297  -3.677  -0.862
  363    HB3  LEU  45           HB3      LEU  45  -0.206  -3.504   0.029
  364    HG   LEU  45           HG       LEU  45   1.080  -1.426  -1.745
  365   HD11  LEU  45          HD11      LEU  45   0.000  -3.241  -2.969
  366   HD12  LEU  45          HD12      LEU  45  -0.886  -1.725  -3.143
  367   HD13  LEU  45          HD13      LEU  45  -1.486  -2.978  -2.054
  368   HD21  LEU  45          HD21      LEU  45  -0.917  -0.083  -1.302
  369   HD22  LEU  45          HD22      LEU  45   0.015  -0.374   0.168
  370   HD23  LEU  45          HD23      LEU  45  -1.465  -1.285  -0.135
  371    H    HIS  46           H        HIS  46   0.415  -2.628   3.159
  372    HA   HIS  46           HA       HIS  46   2.105  -4.918   3.896
  373    HB2  HIS  46           HB2      HIS  46   1.829  -2.558   5.216
  374    HB3  HIS  46           HB3      HIS  46   0.608  -3.533   6.029
  375    HD1  HIS  46           HD1      HIS  46   4.168  -2.826   5.990
  376    HD2  HIS  46           HD2      HIS  46   1.750  -6.008   7.171
  377    HE1  HIS  46           HE1      HIS  46   5.594  -4.246   7.503
  378    HE2  HIS  46           HE2      HIS  46   4.149  -6.213   8.133
  379    H    LEU  47           H        LEU  47   1.158  -6.778   3.699
  380    HA   LEU  47           HA       LEU  47  -1.736  -7.094   4.008
  381    HB2  LEU  47           HB2      LEU  47   0.485  -8.835   3.040
  382    HB3  LEU  47           HB3      LEU  47  -1.154  -9.423   3.204
  383    HG   LEU  47           HG       LEU  47  -1.690  -7.373   1.603
  384   HD11  LEU  47          HD11      LEU  47   0.572  -6.488   1.581
  385   HD12  LEU  47          HD12      LEU  47   0.079  -7.007  -0.029
  386   HD13  LEU  47          HD13      LEU  47   1.175  -8.009   0.925
  387   HD21  LEU  47          HD21      LEU  47  -1.501  -8.890  -0.305
  388   HD22  LEU  47          HD22      LEU  47  -2.158  -9.712   1.111
  389   HD23  LEU  47          HD23      LEU  47  -0.474  -9.964   0.647
  390    H    ALA  48           H        ALA  48   0.709  -6.918   5.842
  391    HA   ALA  48           HA       ALA  48   0.800  -7.117   8.139
  392    HB1  ALA  48           HB1      ALA  48  -1.269  -9.293   7.968
  393    HB2  ALA  48           HB2      ALA  48  -1.670  -7.578   8.087
  394    HB3  ALA  48           HB3      ALA  48  -0.782  -8.368   9.389
  395    H    GLN  49           H        GLN  49   0.008 -10.321   6.898
  396    HA   GLN  49           HA       GLN  49   2.400 -11.443   8.034
  397    HB2  GLN  49           HB2      GLN  49   0.482 -12.682   6.052
  398    HB3  GLN  49           HB3      GLN  49   1.663 -13.528   7.027
  399    HG2  GLN  49           HG2      GLN  49  -0.356 -13.932   8.101
  400    HG3  GLN  49           HG3      GLN  49   0.386 -12.651   9.048
  401   HE21  GLN  49          HE21      GLN  49  -1.157 -12.027   5.963
  402   HE22  GLN  49          HE22      GLN  49  -2.515 -11.207   6.625
  403    H    ARG  50           H        ARG  50   1.380  -9.946   5.114
  404    HA   ARG  50           HA       ARG  50   3.959 -10.643   3.866
  405    HB2  ARG  50           HB2      ARG  50   1.282 -10.102   2.605
  406    HB3  ARG  50           HB3      ARG  50   2.787 -10.114   1.695
  407    HG2  ARG  50           HG2      ARG  50   3.157 -12.413   2.209
  408    HG3  ARG  50           HG3      ARG  50   1.781 -12.431   3.318
  409    HD2  ARG  50           HD2      ARG  50   0.236 -12.256   1.600
  410    HD3  ARG  50           HD3      ARG  50   1.435 -11.670   0.450
  411    HE   ARG  50           HE       ARG  50   1.996 -14.325   1.375
  412   HH11  ARG  50          HH11      ARG  50   0.073 -12.495  -0.913
  413   HH12  ARG  50          HH12      ARG  50   0.023 -13.773  -2.088
  414   HH21  ARG  50          HH21      ARG  50   1.916 -16.002  -0.148
  415   HH22  ARG  50          HH22      ARG  50   1.059 -15.777  -1.637
  416    H    SER  51           H        SER  51   5.032  -9.031   2.681
  417    HA   SER  51           HA       SER  51   3.923  -6.323   2.737
  418    HB2  SER  51           HB2      SER  51   6.773  -6.937   3.580
  419    HB3  SER  51           HB3      SER  51   6.000  -5.353   3.551
  420    HG   SER  51           HG       SER  51   5.843  -7.364   5.423
  421    H    ILE  52           H        ILE  52   4.090  -5.439   0.773
  422    HA   ILE  52           HA       ILE  52   6.055  -6.590  -1.110
  423    HB   ILE  52           HB       ILE  52   3.217  -5.737  -1.738
  424   HG12  ILE  52          HG12      ILE  52   4.467  -8.498  -1.709
  425   HG13  ILE  52          HG13      ILE  52   3.373  -7.870  -0.482
  426   HG21  ILE  52          HG21      ILE  52   4.779  -5.299  -3.579
  427   HG22  ILE  52          HG22      ILE  52   3.640  -6.587  -3.979
  428   HG23  ILE  52          HG23      ILE  52   5.300  -6.986  -3.530
  429   HD11  ILE  52          HD11      ILE  52   2.692  -8.303  -3.377
  430   HD12  ILE  52          HD12      ILE  52   1.597  -7.716  -2.126
  431   HD13  ILE  52          HD13      ILE  52   2.239  -9.355  -2.037
  432    H    CYS  53           H        CYS  53   7.078  -5.138  -2.520
  433    HA   CYS  53           HA       CYS  53   6.871  -2.357  -1.608
  434    HB2  CYS  53           HB2      CYS  53   9.116  -3.735  -3.100
  435    HB3  CYS  53           HB3      CYS  53   9.148  -2.090  -2.476
  436    H    ILE  54           H        ILE  54   5.994  -0.913  -2.844
  437    HA   ILE  54           HA       ILE  54   6.017  -1.228  -5.766
  438    HB   ILE  54           HB       ILE  54   3.678  -0.575  -3.973
  439   HG12  ILE  54          HG12      ILE  54   4.032  -2.569  -6.221
  440   HG13  ILE  54          HG13      ILE  54   4.050  -2.941  -4.500
  441   HG21  ILE  54          HG21      ILE  54   3.823  -0.108  -6.941
  442   HG22  ILE  54          HG22      ILE  54   3.730   1.130  -5.689
  443   HG23  ILE  54          HG23      ILE  54   2.376   0.027  -5.941
  444   HD11  ILE  54          HD11      ILE  54   1.705  -1.849  -6.037
  445   HD12  ILE  54          HD12      ILE  54   1.725  -2.248  -4.318
  446   HD13  ILE  54          HD13      ILE  54   1.923  -3.520  -5.523
  447    H    HIS  55           H        HIS  55   6.119   0.800  -6.930
  448    HA   HIS  55           HA       HIS  55   6.971   3.030  -5.222
  449    HB2  HIS  55           HB2      HIS  55   8.235   3.879  -7.000
  450    HB3  HIS  55           HB3      HIS  55   8.421   2.134  -7.169
  451    HD1  HIS  55           HD1      HIS  55   7.363   5.134  -8.975
  452    HD2  HIS  55           HD2      HIS  55   6.812   1.025  -9.328
  453    HE1  HIS  55           HE1      HIS  55   6.498   4.764 -11.304
  454    HE2  HIS  55           HE2      HIS  55   6.421   2.258 -11.572
  455    HA   PRO  56           HA       PRO  56   3.438   5.639  -5.870
  456    HB2  PRO  56           HB2      PRO  56   5.340   7.631  -7.012
  457    HB3  PRO  56           HB3      PRO  56   4.135   7.826  -5.734
  458    HG2  PRO  56           HG2      PRO  56   6.740   7.628  -5.164
  459    HG3  PRO  56           HG3      PRO  56   5.502   6.911  -4.117
  460    HD2  PRO  56           HD2      PRO  56   7.381   5.590  -6.010
  461    HD3  PRO  56           HD3      PRO  56   6.678   4.989  -4.499
  462    H    GLN  57           H        GLN  57   2.019   6.136  -7.459
  463    HA   GLN  57           HA       GLN  57   1.086   6.478  -9.494
  464    HB2  GLN  57           HB2      GLN  57   3.933   6.806 -10.454
  465    HB3  GLN  57           HB3      GLN  57   2.487   7.225 -11.369
  466    HG2  GLN  57           HG2      GLN  57   1.910   8.936  -9.824
  467    HG3  GLN  57           HG3      GLN  57   3.163   8.419  -8.698
  468   HE21  GLN  57          HE21      GLN  57   4.183  10.346  -8.632
  469   HE22  GLN  57          HE22      GLN  57   5.048  11.024  -9.971
  470    H    ASN  58           H        ASN  58   1.965   3.846  -8.490
  471    HA   ASN  58           HA       ASN  58   2.082   2.350 -11.007
  472    HB2  ASN  58           HB2      ASN  58   3.534   1.564  -9.166
  473    HB3  ASN  58           HB3      ASN  58   2.125   1.361  -8.135
  474   HD21  ASN  58          HD21      ASN  58   3.973   0.059 -10.759
  475   HD22  ASN  58          HD22      ASN  58   3.131  -1.448 -10.871
  476    HA   PRO  59           HA       PRO  59  -2.305   2.093 -11.372
  477    HB2  PRO  59           HB2      PRO  59  -1.731  -0.726 -12.161
  478    HB3  PRO  59           HB3      PRO  59  -2.715   0.492 -12.981
  479    HG2  PRO  59           HG2      PRO  59  -0.281  -0.107 -13.871
  480    HG3  PRO  59           HG3      PRO  59  -0.877   1.562 -13.890
  481    HD2  PRO  59           HD2      PRO  59   1.106   0.278 -12.085
  482    HD3  PRO  59           HD3      PRO  59   1.021   1.952 -12.667
  483    H    SER  60           H        SER  60  -0.588  -0.557  -9.753
  484    HA   SER  60           HA       SER  60  -2.910  -1.735  -8.628
  485    HB2  SER  60           HB2      SER  60  -0.579  -2.768  -8.961
  486    HB3  SER  60           HB3      SER  60  -0.149  -1.964  -7.454
  487    HG   SER  60           HG       SER  60  -2.121  -3.084  -6.612
  488    H    LEU  61           H        LEU  61  -0.651   0.723  -7.501
  489    HA   LEU  61           HA       LEU  61  -1.567   0.713  -4.798
  490    HB2  LEU  61           HB2      LEU  61   0.656   1.633  -5.953
  491    HB3  LEU  61           HB3      LEU  61  -0.269   3.119  -5.994
  492    HG   LEU  61           HG       LEU  61   1.203   3.055  -4.052
  493   HD11  LEU  61          HD11      LEU  61  -1.690   2.787  -3.267
  494   HD12  LEU  61          HD12      LEU  61  -0.898   4.258  -3.837
  495   HD13  LEU  61          HD13      LEU  61  -0.418   3.534  -2.302
  496   HD21  LEU  61          HD21      LEU  61   0.859   1.440  -2.243
  497   HD22  LEU  61          HD22      LEU  61   1.347   0.650  -3.745
  498   HD23  LEU  61          HD23      LEU  61  -0.338   0.598  -3.232
  499    H    SER  62           H        SER  62  -2.151   2.838  -7.599
  500    HA   SER  62           HA       SER  62  -3.927   4.606  -6.342
  501    HB2  SER  62           HB2      SER  62  -3.890   3.767  -9.251
  502    HB3  SER  62           HB3      SER  62  -4.624   5.235  -8.601
  503    HG   SER  62           HG       SER  62  -2.740   6.108  -8.830
  504    H    GLN  63           H        GLN  63  -4.597   1.661  -8.241
  505    HA   GLN  63           HA       GLN  63  -7.394   1.755  -7.995
  506    HB2  GLN  63           HB2      GLN  63  -5.565  -0.623  -8.353
  507    HB3  GLN  63           HB3      GLN  63  -7.317  -0.699  -8.470
  508    HG2  GLN  63           HG2      GLN  63  -7.215   0.933 -10.332
  509    HG3  GLN  63           HG3      GLN  63  -5.454   0.848 -10.253
  510   HE21  GLN  63          HE21      GLN  63  -4.416  -1.065 -10.864
  511   HE22  GLN  63          HE22      GLN  63  -5.205  -2.264 -11.834
  512    H    TRP  64           H        TRP  64  -4.889   0.535  -5.850
  513    HA   TRP  64           HA       TRP  64  -6.624  -0.872  -4.137
  514    HB2  TRP  64           HB2      TRP  64  -4.222  -1.292  -4.077
  515    HB3  TRP  64           HB3      TRP  64  -3.928   0.354  -3.519
  516    HD1  TRP  64           HD1      TRP  64  -3.094   0.051  -1.094
  517    HE1  TRP  64           HE1      TRP  64  -3.999  -1.097   1.019
  518    HE3  TRP  64           HE3      TRP  64  -7.091  -2.416  -3.132
  519    HZ2  TRP  64           HZ2      TRP  64  -6.122  -2.801   1.733
  520    HZ3  TRP  64           HZ3      TRP  64  -8.496  -3.775  -1.662
  521    HH2  TRP  64           HH2      TRP  64  -8.026  -3.967   0.720
  522    H    PHE  65           H        PHE  65  -5.604   2.508  -4.218
  523    HA   PHE  65           HA       PHE  65  -6.646   3.382  -1.802
  524    HB2  PHE  65           HB2      PHE  65  -6.224   4.648  -4.455
  525    HB3  PHE  65           HB3      PHE  65  -7.304   5.483  -3.345
  526    HD1  PHE  65           HD1      PHE  65  -6.430   6.088  -1.055
  527    HD2  PHE  65           HD2      PHE  65  -3.898   4.828  -4.235
  528    HE1  PHE  65           HE1      PHE  65  -4.505   7.113   0.080
  529    HE2  PHE  65           HE2      PHE  65  -1.968   5.849  -3.101
  530    HZ   PHE  65           HZ       PHE  65  -2.266   6.995  -0.942
  531    H    GLU  66           H        GLU  66  -8.331   2.923  -4.898
  532    HA   GLU  66           HA       GLU  66 -10.852   3.741  -3.748
  533    HB2  GLU  66           HB2      GLU  66 -10.222   2.523  -6.437
  534    HB3  GLU  66           HB3      GLU  66 -11.782   3.191  -5.970
  535    HG2  GLU  66           HG2      GLU  66 -10.688   5.382  -5.620
  536    HG3  GLU  66           HG3      GLU  66  -9.181   4.685  -6.212
  537    H    HIS  67           H        HIS  67  -9.274   0.709  -4.599
  538    HA   HIS  67           HA       HIS  67 -11.555  -0.928  -4.254
  539    HB2  HIS  67           HB2      HIS  67  -8.608  -1.482  -4.331
  540    HB3  HIS  67           HB3      HIS  67  -9.731  -2.755  -3.860
  541    HD1  HIS  67           HD1      HIS  67  -9.708  -4.256  -5.884
  542    HD2  HIS  67           HD2      HIS  67 -10.245  -0.237  -6.866
  543    HE1  HIS  67           HE1      HIS  67 -10.192  -4.208  -8.350
  544    HE2  HIS  67           HE2      HIS  67 -10.387  -1.770  -8.949
  545    H    GLN  68           H        GLN  68  -8.928  -0.010  -2.017
  546    HA   GLN  68           HA       GLN  68  -9.851  -1.573   0.152
  547    HB2  GLN  68           HB2      GLN  68  -8.390  -0.303   1.545
  548    HB3  GLN  68           HB3      GLN  68  -7.592  -0.454  -0.015
  549    HG2  GLN  68           HG2      GLN  68  -8.136   1.790  -0.604
  550    HG3  GLN  68           HG3      GLN  68  -9.176   1.965   0.807
  551   HE21  GLN  68          HE21      GLN  68  -6.085   0.353   0.932
  552   HE22  GLN  68          HE22      GLN  68  -5.284   1.561   1.868
  553    H    GLU  69           H        GLU  69 -10.774   1.525  -1.125
  554    HA   GLU  69           HA       GLU  69 -12.164   2.618   1.015
  555    HB2  GLU  69           HB2      GLU  69 -11.691   3.782  -1.117
  556    HB3  GLU  69           HB3      GLU  69 -12.880   2.767  -1.917
  557    HG2  GLU  69           HG2      GLU  69 -13.837   4.914  -1.465
  558    HG3  GLU  69           HG3      GLU  69 -14.623   3.703  -0.453
  559    H    ARG  70           H        ARG  70 -13.070   0.014  -1.176
  560    HA   ARG  70           HA       ARG  70 -15.675  -0.107   0.196
  561    HB2  ARG  70           HB2      ARG  70 -16.634  -1.127  -1.717
  562    HB3  ARG  70           HB3      ARG  70 -15.703   0.249  -2.288
  563    HG2  ARG  70           HG2      ARG  70 -13.912  -1.223  -3.003
  564    HG3  ARG  70           HG3      ARG  70 -14.787  -2.623  -2.373
  565    HD2  ARG  70           HD2      ARG  70 -16.672  -1.979  -3.924
  566    HD3  ARG  70           HD3      ARG  70 -15.558  -0.828  -4.662
  567    HE   ARG  70           HE       ARG  70 -14.688  -3.608  -4.514
  568   HH11  ARG  70          HH11      ARG  70 -16.052  -1.018  -6.436
  569   HH12  ARG  70          HH12      ARG  70 -15.704  -1.787  -7.958
  570   HH21  ARG  70          HH21      ARG  70 -14.230  -4.629  -6.524
  571   HH22  ARG  70          HH22      ARG  70 -14.687  -3.839  -8.005
  572    H    LYS  71           H        LYS  71 -12.843  -1.456   0.708
  573    HA   LYS  71           HA       LYS  71 -13.965  -4.162   1.092
  574    HB2  LYS  71           HB2      LYS  71 -11.124  -3.461   0.350
  575    HB3  LYS  71           HB3      LYS  71 -11.708  -5.079   0.709
  576    HG2  LYS  71           HG2      LYS  71 -13.082  -5.112  -1.205
  577    HG3  LYS  71           HG3      LYS  71 -12.802  -3.395  -1.508
  578    HD2  LYS  71           HD2      LYS  71 -10.411  -3.886  -1.838
  579    HD3  LYS  71           HD3      LYS  71 -10.761  -5.605  -1.646
  580    HE2  LYS  71           HE2      LYS  71 -12.108  -3.866  -3.679
  581    HE3  LYS  71           HE3      LYS  71 -10.608  -4.741  -4.008
  582    HZ1  LYS  71           HZ1      LYS  71 -11.652  -6.764  -3.895
  583    HZ2  LYS  71           HZ2      LYS  71 -12.873  -5.819  -4.595
  584    HZ3  LYS  71           HZ3      LYS  71 -12.936  -6.196  -2.941
  585    H    LEU  72           H        LEU  72 -11.255  -4.876   2.316
  586    HA   LEU  72           HA       LEU  72 -10.647  -5.424   4.382
  587    HB2  LEU  72           HB2      LEU  72 -11.197  -2.499   4.853
  588    HB3  LEU  72           HB3      LEU  72 -10.315  -3.537   5.956
  589    HG   LEU  72           HG       LEU  72  -8.697  -2.325   4.760
  590   HD11  LEU  72          HD11      LEU  72  -8.926  -5.016   3.470
  591   HD12  LEU  72          HD12      LEU  72  -8.101  -4.643   4.986
  592   HD13  LEU  72          HD13      LEU  72  -7.489  -3.997   3.460
  593   HD21  LEU  72          HD21      LEU  72 -10.107  -3.079   2.225
  594   HD22  LEU  72          HD22      LEU  72  -8.586  -2.192   2.326
  595   HD23  LEU  72          HD23      LEU  72 -10.067  -1.477   2.962
  596    H    HIS  73           H        HIS  73 -12.969  -2.998   5.438
  597    HA   HIS  73           HA       HIS  73 -15.161  -4.511   6.118
  598    HB2  HIS  73           HB2      HIS  73 -13.535  -5.815   7.533
  599    HB3  HIS  73           HB3      HIS  73 -13.218  -4.352   8.451
  600    HD1  HIS  73           HD1      HIS  73 -14.069  -5.447  10.628
  601    HD2  HIS  73           HD2      HIS  73 -16.919  -5.246   7.605
  602    HE1  HIS  73           HE1      HIS  73 -16.270  -5.953  11.733
  603    HE2  HIS  73           HE2      HIS  73 -17.990  -5.532   9.941
  604    H    GLY  74           H        GLY  74 -14.070  -1.851   5.397
  605    HA2  GLY  74           HA2      GLY  74 -14.599   0.368   5.820
  606    HA3  GLY  74           HA3      GLY  74 -15.516  -0.154   7.230
  607    H    THR  75           H        THR  75 -12.773  -1.704   7.641
  608    HA   THR  75           HA       THR  75 -11.711   0.210   9.514
  609    HB   THR  75           HB       THR  75 -10.044  -1.740   9.879
  610    HG1  THR  75           HG1      THR  75 -10.426  -2.976   8.080
  611   HG21  THR  75          HG21      THR  75 -11.642  -2.921  11.301
  612   HG22  THR  75          HG22      THR  75 -12.982  -2.145  10.457
  613   HG23  THR  75          HG23      THR  75 -11.872  -1.176  11.425
  614    H    LEU  76           H        LEU  76 -10.403   1.729   8.767
  615    HA   LEU  76           HA       LEU  76  -8.167   1.014   7.069
  616    HB2  LEU  76           HB2      LEU  76 -10.213   3.124   6.381
  617    HB3  LEU  76           HB3      LEU  76  -8.608   3.095   5.684
  618    HG   LEU  76           HG       LEU  76 -10.677   0.917   5.376
  619   HD11  LEU  76          HD11      LEU  76  -9.672   2.961   3.401
  620   HD12  LEU  76          HD12      LEU  76 -11.257   2.970   4.174
  621   HD13  LEU  76          HD13      LEU  76 -10.823   1.667   3.069
  622   HD21  LEU  76          HD21      LEU  76  -8.423   0.031   5.344
  623   HD22  LEU  76          HD22      LEU  76  -7.933   1.259   4.175
  624   HD23  LEU  76          HD23      LEU  76  -9.101   0.019   3.715
  625    HA   PRO  77           HA       PRO  77  -6.304   3.980   9.747
  626    HB2  PRO  77           HB2      PRO  77  -4.024   4.468   8.457
  627    HB3  PRO  77           HB3      PRO  77  -4.389   2.859   9.097
  628    HG2  PRO  77           HG2      PRO  77  -4.616   3.864   6.289
  629    HG3  PRO  77           HG3      PRO  77  -3.971   2.322   6.876
  630    HD2  PRO  77           HD2      PRO  77  -6.528   2.678   5.897
  631    HD3  PRO  77           HD3      PRO  77  -6.041   1.373   6.997
  632    H    LYS  78           H        LYS  78  -5.438   6.242   9.769
  633    HA   LYS  78           HA       LYS  78  -7.265   7.874   8.276
  634    HB2  LYS  78           HB2      LYS  78  -6.218   9.760   9.581
  635    HB3  LYS  78           HB3      LYS  78  -6.994   8.506  10.534
  636    HG2  LYS  78           HG2      LYS  78  -4.790   7.522  11.001
  637    HG3  LYS  78           HG3      LYS  78  -4.031   8.822  10.078
  638    HD2  LYS  78           HD2      LYS  78  -3.950   9.298  12.468
  639    HD3  LYS  78           HD3      LYS  78  -4.973  10.468  11.634
  640    HE2  LYS  78           HE2      LYS  78  -6.963   9.192  12.324
  641    HE3  LYS  78           HE3      LYS  78  -5.924   8.063  13.190
  642    HZ1  LYS  78           HZ1      LYS  78  -6.166  10.969  13.773
  643    HZ2  LYS  78           HZ2      LYS  78  -5.208   9.857  14.629
  644    HZ3  LYS  78           HZ3      LYS  78  -6.897   9.725  14.663
  645    H    LEU  79           H        LEU  79  -6.303   7.187   6.224
  646    HA   LEU  79           HA       LEU  79  -3.762   8.292   5.479
  647    HB2  LEU  79           HB2      LEU  79  -5.959   7.138   3.763
  648    HB3  LEU  79           HB3      LEU  79  -4.350   7.549   3.204
  649    HG   LEU  79           HG       LEU  79  -5.107   5.357   5.124
  650   HD11  LEU  79          HD11      LEU  79  -3.821   5.319   2.398
  651   HD12  LEU  79          HD12      LEU  79  -5.483   4.857   2.768
  652   HD13  LEU  79          HD13      LEU  79  -4.142   3.907   3.408
  653   HD21  LEU  79          HD21      LEU  79  -2.731   4.816   5.233
  654   HD22  LEU  79          HD22      LEU  79  -3.040   6.429   5.873
  655   HD23  LEU  79          HD23      LEU  79  -2.354   6.236   4.260
  656    H    ASN  80           H        ASN  80  -3.592  10.412   5.416
  657    HA   ASN  80           HA       ASN  80  -5.673  12.048   4.219
  658    HB2  ASN  80           HB2      ASN  80  -4.066  13.934   4.736
  659    HB3  ASN  80           HB3      ASN  80  -4.629  13.034   6.141
  660   HD21  ASN  80          HD21      ASN  80  -3.197  11.770   7.288
  661   HD22  ASN  80          HD22      ASN  80  -1.484  11.860   7.056
  662    H    PHE  81           H        PHE  81  -4.303  10.050   2.678
  663    HA   PHE  81           HA       PHE  81  -2.558  11.568   0.891
  664    HB2  PHE  81           HB2      PHE  81  -3.100   8.592   1.052
  665    HB3  PHE  81           HB3      PHE  81  -1.941   9.363  -0.027
  666    HD1  PHE  81           HD1      PHE  81   0.064  10.475   0.916
  667    HD2  PHE  81           HD2      PHE  81  -2.576   8.168   3.322
  668    HE1  PHE  81           HE1      PHE  81   1.794  10.322   2.660
  669    HE2  PHE  81           HE2      PHE  81  -0.853   8.010   5.070
  670    HZ   PHE  81           HZ       PHE  81   1.336   9.087   4.741
  671    H    GLY  82           H        GLY  82  -5.279  12.208   0.834
  672    HA2  GLY  82           HA2      GLY  82  -6.629  10.807  -1.268
  673    HA3  GLY  82           HA3      GLY  82  -7.106  12.347  -0.565
  674    H    MET  83           H        MET  83  -4.153  13.134  -1.224
  675    HA   MET  83           HA       MET  83  -4.795  14.509  -3.636
  676    HB2  MET  83           HB2      MET  83  -2.659  15.527  -3.472
  677    HB3  MET  83           HB3      MET  83  -3.226  15.337  -1.822
  678    HG2  MET  83           HG2      MET  83  -1.269  13.522  -3.213
  679    HG3  MET  83           HG3      MET  83  -0.853  14.796  -2.070
  680    HE1  MET  83           HE1      MET  83   0.554  12.736  -0.806
  681    HE2  MET  83           HE2      MET  83  -0.098  11.612  -2.001
  682    HE3  MET  83           HE3      MET  83  -0.252  11.257  -0.279
  683    H    LEU  84           H        LEU  84  -3.722  11.404  -3.025
  684    HA   LEU  84           HA       LEU  84  -2.238  11.089  -5.510
  685    HB2  LEU  84           HB2      LEU  84  -1.865   9.930  -3.160
  686    HB3  LEU  84           HB3      LEU  84  -3.078   8.815  -3.748
  687    HG   LEU  84           HG       LEU  84  -0.706   8.073  -4.051
  688   HD11  LEU  84          HD11      LEU  84  -2.489   7.102  -5.385
  689   HD12  LEU  84          HD12      LEU  84  -0.996   7.234  -6.315
  690   HD13  LEU  84          HD13      LEU  84  -2.305   8.385  -6.581
  691   HD21  LEU  84          HD21      LEU  84   0.598   9.047  -5.862
  692   HD22  LEU  84          HD22      LEU  84   0.270  10.234  -4.601
  693   HD23  LEU  84          HD23      LEU  84  -0.647  10.273  -6.107
  694    H    ARG  85           H        ARG  85  -5.426  10.846  -4.329
  695    HA   ARG  85           HA       ARG  85  -6.341   8.827  -6.139
  696    HB2  ARG  85           HB2      ARG  85  -7.722  10.727  -4.268
  697    HB3  ARG  85           HB3      ARG  85  -8.640   9.756  -5.410
  698    HG2  ARG  85           HG2      ARG  85  -7.716   7.719  -4.442
  699    HG3  ARG  85           HG3      ARG  85  -6.767   8.680  -3.307
  700    HD2  ARG  85           HD2      ARG  85  -8.694   9.434  -2.181
  701    HD3  ARG  85           HD3      ARG  85  -9.757   8.894  -3.478
  702    HE   ARG  85           HE       ARG  85  -8.462   6.643  -2.495
  703   HH11  ARG  85          HH11      ARG  85 -10.605   9.100  -1.242
  704   HH12  ARG  85          HH12      ARG  85 -11.464   7.998  -0.207
  705   HH21  ARG  85          HH21      ARG  85  -9.590   5.183  -1.109
  706   HH22  ARG  85          HH22      ARG  85 -10.898   5.789  -0.130
  707    H    LYS  86           H        LYS  86  -7.257   8.998  -8.042
  708    HA   LYS  86           HA       LYS  86  -8.013   9.810 -10.004
  709    HB2  LYS  86           HB2      LYS  86  -9.427  11.361  -8.714
  710    HB3  LYS  86           HB3      LYS  86  -8.108  12.518  -8.669
  711    HG2  LYS  86           HG2      LYS  86  -9.928  12.942 -10.366
  712    HG3  LYS  86           HG3      LYS  86  -8.273  12.965 -10.969
  713    HD2  LYS  86           HD2      LYS  86  -9.770  11.763 -12.492
  714    HD3  LYS  86           HD3      LYS  86  -8.532  10.698 -11.830
  715    HE2  LYS  86           HE2      LYS  86 -10.663   9.561 -11.861
  716    HE3  LYS  86           HE3      LYS  86 -10.173   9.858 -10.195
  717    HZ1  LYS  86           HZ1      LYS  86 -12.583  10.345 -10.902
  718    HZ2  LYS  86           HZ2      LYS  86 -11.944  11.765 -11.573
  719    HZ3  LYS  86           HZ3      LYS  86 -11.779  11.458  -9.912
  720    H    MET  87           H        MET  87  -5.211  11.006  -8.456
  721    HA   MET  87           HA       MET  87  -3.920  12.040 -10.778
  722    HB2  MET  87           HB2      MET  87  -2.734  10.660  -8.359
  723    HB3  MET  87           HB3      MET  87  -1.811  11.521  -9.582
  724    HG2  MET  87           HG2      MET  87  -3.882  12.743  -7.784
  725    HG3  MET  87           HG3      MET  87  -2.139  12.820  -7.540
  726    HE1  MET  87           HE1      MET  87  -2.166  15.435  -7.374
  727    HE2  MET  87           HE2      MET  87  -3.922  15.377  -7.528
  728    HE3  MET  87           HE3      MET  87  -2.985  16.482  -8.534
  729    H    GLY  88           H        GLY  88  -4.345   8.920  -9.309
  730    HA2  GLY  88           HA2      GLY  88  -3.398   7.635 -11.789
  731    HA3  GLY  88           HA3      GLY  88  -3.480   6.841 -10.218
  Start of MODEL   23
    1    H1   PHE   1           HT1      PHE   1  14.181 -10.062   7.660
    2    H2   PHE   1           HT2      PHE   1  15.211 -11.225   6.979
    3    H3   PHE   1           HT3      PHE   1  13.552 -11.545   7.127
    4    HA   PHE   1           HA       PHE   1  14.807  -9.499   5.397
    5    HB2  PHE   1           HB2      PHE   1  15.046 -11.824   4.593
    6    HB3  PHE   1           HB3      PHE   1  13.304 -12.037   4.699
    7    HD1  PHE   1           HD2      PHE   1  15.864  -9.877   3.070
    8    HD2  PHE   1           HD1      PHE   1  11.998 -11.641   2.831
    9    HE1  PHE   1           HE2      PHE   1  15.629  -9.041   0.768
   10    HE2  PHE   1           HE1      PHE   1  11.757 -10.807   0.530
   11    HZ   PHE   1           HZ       PHE   1  13.573  -9.507  -0.504
   12    H    LEU   2           H        LEU   2  12.025 -10.459   7.173
   13    HA   LEU   2           HA       LEU   2  10.040  -9.266   5.534
   14    HB2  LEU   2           HB2      LEU   2   8.559  -9.482   7.398
   15    HB3  LEU   2           HB3      LEU   2   9.577 -10.907   7.354
   16    HG   LEU   2           HG       LEU   2  10.982  -9.385   9.093
   17   HD11  LEU   2          HD11      LEU   2   9.425  -8.331  10.649
   18   HD12  LEU   2          HD12      LEU   2   8.088  -8.673   9.551
   19   HD13  LEU   2          HD13      LEU   2   9.368  -7.563   9.062
   20   HD21  LEU   2          HD21      LEU   2   9.961 -10.740  10.853
   21   HD22  LEU   2          HD22      LEU   2  10.287 -11.703   9.413
   22   HD23  LEU   2          HD23      LEU   2   8.644 -11.170   9.763
   23    H    LEU   3           H        LEU   3   9.185  -7.233   5.537
   24    HA   LEU   3           HA       LEU   3  10.945  -5.155   6.468
   25    HB2  LEU   3           HB2      LEU   3   8.452  -5.183   4.796
   26    HB3  LEU   3           HB3      LEU   3   9.087  -3.675   5.420
   27    HG   LEU   3           HG       LEU   3   9.830  -3.947   3.159
   28   HD11  LEU   3          HD11      LEU   3  12.242  -3.822   3.438
   29   HD12  LEU   3          HD12      LEU   3  12.103  -4.515   5.053
   30   HD13  LEU   3          HD13      LEU   3  11.409  -2.931   4.711
   31   HD21  LEU   3          HD21      LEU   3  11.210  -5.825   2.430
   32   HD22  LEU   3          HD22      LEU   3   9.612  -6.364   2.955
   33   HD23  LEU   3          HD23      LEU   3  11.011  -6.589   4.010
   34    HA   PRO   4           HA       PRO   4   8.803  -4.735  10.360
   35    HB2  PRO   4           HB2      PRO   4  10.476  -2.312  10.555
   36    HB3  PRO   4           HB3      PRO   4  10.392  -3.708  11.636
   37    HG2  PRO   4           HG2      PRO   4  12.509  -3.297  10.042
   38    HG3  PRO   4           HG3      PRO   4  11.909  -4.928  10.397
   39    HD2  PRO   4           HD2      PRO   4  11.527  -3.259   7.941
   40    HD3  PRO   4           HD3      PRO   4  11.832  -5.004   8.085
   41    HA   PRO   5           HA       PRO   5   5.757  -1.793   9.060
   42    HB2  PRO   5           HB2      PRO   5   4.274  -1.706  11.322
   43    HB3  PRO   5           HB3      PRO   5   4.249  -3.091  10.222
   44    HG2  PRO   5           HG2      PRO   5   5.738  -2.728  12.792
   45    HG3  PRO   5           HG3      PRO   5   4.870  -4.153  12.195
   46    HD2  PRO   5           HD2      PRO   5   7.572  -3.902  12.059
   47    HD3  PRO   5           HD3      PRO   5   6.626  -4.824  10.872
   48    H    SER   6           H        SER   6   8.245  -0.906  10.462
   49    HA   SER   6           HA       SER   6   7.407   1.826  10.886
   50    HB2  SER   6           HB2      SER   6   8.757   0.262  13.098
   51    HB3  SER   6           HB3      SER   6   8.481   2.003  13.110
   52    HG   SER   6           HG       SER   6   6.189   0.735  12.541
   53    H    THR   7           H        THR   7   9.181   0.075   9.163
   54    HA   THR   7           HA       THR   7  11.448   1.895   9.178
   55    HB   THR   7           HB       THR   7  11.844  -1.103   9.014
   56    HG1  THR   7           HG1      THR   7  11.937   0.704  11.155
   57   HG21  THR   7          HG21      THR   7  14.245  -0.497   9.210
   58   HG22  THR   7          HG22      THR   7  13.796   1.204   9.088
   59   HG23  THR   7          HG23      THR   7  13.500   0.114   7.734
   60    H    ALA   8           H        ALA   8  10.210   2.703   7.402
   61    HA   ALA   8           HA       ALA   8   9.693   1.015   5.146
   62    HB1  ALA   8           HB1      ALA   8   8.773   2.991   4.114
   63    HB2  ALA   8           HB2      ALA   8   9.489   4.017   5.359
   64    HB3  ALA   8           HB3      ALA   8   8.206   2.882   5.781
   65    H    CYS   9           H        CYS   9  11.779   0.263   4.700
   66    HA   CYS   9           HA       CYS   9  13.078   1.977   2.764
   67    HB2  CYS   9           HB2      CYS   9  14.345   2.283   4.925
   68    HB3  CYS   9           HB3      CYS   9  14.752   0.572   4.855
   69    H    CYS  10           H        CYS  10  11.856   0.494   1.519
   70    HA   CYS  10           HA       CYS  10  12.602  -2.294   1.513
   71    HB2  CYS  10           HB2      CYS  10  10.310  -1.039   0.912
   72    HB3  CYS  10           HB3      CYS  10  11.016  -1.092  -0.700
   73    H    THR  11           H        THR  11  14.221  -3.119   0.374
   74    HA   THR  11           HA       THR  11  15.885  -1.405  -1.180
   75    HB   THR  11           HB       THR  11  17.148  -3.640  -1.536
   76    HG1  THR  11           HG1      THR  11  16.437  -5.052   0.384
   77   HG21  THR  11          HG21      THR  11  16.726  -2.555   1.253
   78   HG22  THR  11          HG22      THR  11  17.847  -1.909   0.054
   79   HG23  THR  11          HG23      THR  11  18.100  -3.524   0.719
   80    H    GLN  12           H        GLN  12  13.230  -3.353  -1.937
   81    HA   GLN  12           HA       GLN  12  13.802  -3.093  -4.768
   82    HB2  GLN  12           HB2      GLN  12  12.867  -5.523  -5.020
   83    HB3  GLN  12           HB3      GLN  12  14.569  -5.255  -4.703
   84    HG2  GLN  12           HG2      GLN  12  13.694  -7.102  -3.387
   85    HG3  GLN  12           HG3      GLN  12  14.239  -5.787  -2.354
   86   HE21  GLN  12          HE21      GLN  12  12.797  -4.727  -1.097
   87   HE22  GLN  12          HE22      GLN  12  11.154  -5.207  -0.893
   88    H    LEU  13           H        LEU  13  11.865  -3.698  -6.098
   89    HA   LEU  13           HA       LEU  13   9.371  -3.077  -4.673
   90    HB2  LEU  13           HB2      LEU  13  10.309  -1.886  -7.285
   91    HB3  LEU  13           HB3      LEU  13   8.727  -1.629  -6.573
   92    HG   LEU  13           HG       LEU  13  11.330  -0.787  -5.295
   93   HD11  LEU  13          HD11      LEU  13  10.987   0.498  -7.295
   94   HD12  LEU  13          HD12      LEU  13  10.587   1.503  -5.900
   95   HD13  LEU  13          HD13      LEU  13   9.301   0.781  -6.867
   96   HD21  LEU  13          HD21      LEU  13   8.452  -0.200  -4.600
   97   HD22  LEU  13          HD22      LEU  13   9.858   0.534  -3.827
   98   HD23  LEU  13          HD23      LEU  13   9.571  -1.201  -3.674
   99    H    TYR  14           H        TYR  14   7.505  -4.048  -5.547
  100    HA   TYR  14           HA       TYR  14   8.047  -6.507  -6.888
  101    HB2  TYR  14           HB2      TYR  14   6.220  -6.121  -5.170
  102    HB3  TYR  14           HB3      TYR  14   5.308  -5.319  -6.447
  103    HD1  TYR  14           HD1      TYR  14   7.302  -8.462  -6.150
  104    HD2  TYR  14           HD2      TYR  14   3.651  -6.653  -7.358
  105    HE1  TYR  14           HE1      TYR  14   6.475 -10.652  -6.895
  106    HE2  TYR  14           HE2      TYR  14   2.806  -8.840  -8.108
  107    HH   TYR  14           HH       TYR  14   3.454 -10.991  -8.648
  108    H    ARG  15           H        ARG  15   6.578  -3.450  -7.852
  109    HA   ARG  15           HA       ARG  15   6.559  -2.412  -9.873
  110    HB2  ARG  15           HB2      ARG  15   8.720  -3.276 -10.359
  111    HB3  ARG  15           HB3      ARG  15   8.081  -4.875 -10.695
  112    HG2  ARG  15           HG2      ARG  15   7.089  -4.109 -12.735
  113    HG3  ARG  15           HG3      ARG  15   7.537  -2.436 -12.372
  114    HD2  ARG  15           HD2      ARG  15   9.817  -2.863 -12.641
  115    HD3  ARG  15           HD3      ARG  15   9.597  -4.607 -12.503
  116    HE   ARG  15           HE       ARG  15   8.331  -3.368 -14.802
  117   HH11  ARG  15          HH11      ARG  15  11.176  -4.942 -13.504
  118   HH12  ARG  15          HH12      ARG  15  11.740  -5.503 -15.047
  119   HH21  ARG  15          HH21      ARG  15   9.091  -4.078 -16.858
  120   HH22  ARG  15          HH22      ARG  15  10.566  -4.993 -16.954
  121    H    LYS  16           H        LYS  16   5.652  -5.840 -10.029
  122    HA   LYS  16           HA       LYS  16   3.738  -5.523 -12.112
  123    HB2  LYS  16           HB2      LYS  16   3.987  -7.629  -9.960
  124    HB3  LYS  16           HB3      LYS  16   2.877  -7.724 -11.317
  125    HG2  LYS  16           HG2      LYS  16   4.748  -7.783 -12.869
  126    HG3  LYS  16           HG3      LYS  16   5.881  -7.631 -11.520
  127    HD2  LYS  16           HD2      LYS  16   5.081  -9.735 -10.592
  128    HD3  LYS  16           HD3      LYS  16   3.906  -9.872 -11.899
  129    HE2  LYS  16           HE2      LYS  16   6.883  -9.757 -12.323
  130    HE3  LYS  16           HE3      LYS  16   5.971 -11.258 -12.179
  131    HZ1  LYS  16           HZ1      LYS  16   6.334 -10.630 -14.487
  132    HZ2  LYS  16           HZ2      LYS  16   5.519  -9.171 -14.246
  133    HZ3  LYS  16           HZ3      LYS  16   4.686 -10.641 -14.117
  134    HA   PRO  17           HA       PRO  17   0.225  -4.030  -9.719
  135    HB2  PRO  17           HB2      PRO  17  -1.791  -5.199 -11.148
  136    HB3  PRO  17           HB3      PRO  17  -0.961  -3.725 -11.665
  137    HG2  PRO  17           HG2      PRO  17  -0.550  -6.551 -12.553
  138    HG3  PRO  17           HG3      PRO  17  -0.555  -5.063 -13.518
  139    HD2  PRO  17           HD2      PRO  17   1.730  -6.315 -12.765
  140    HD3  PRO  17           HD3      PRO  17   1.625  -4.556 -12.973
  141    H    LEU  18           H        LEU  18  -1.071  -4.864  -8.064
  142    HA   LEU  18           HA       LEU  18  -0.367  -7.580  -7.339
  143    HB2  LEU  18           HB2      LEU  18  -1.778  -5.414  -5.785
  144    HB3  LEU  18           HB3      LEU  18  -1.386  -7.000  -5.147
  145    HG   LEU  18           HG       LEU  18   0.563  -4.864  -6.009
  146   HD11  LEU  18          HD11      LEU  18  -0.454  -4.499  -3.823
  147   HD12  LEU  18          HD12      LEU  18   1.254  -4.911  -3.674
  148   HD13  LEU  18          HD13      LEU  18   0.023  -6.122  -3.324
  149   HD21  LEU  18          HD21      LEU  18   2.309  -6.433  -5.274
  150   HD22  LEU  18          HD22      LEU  18   1.421  -7.018  -6.682
  151   HD23  LEU  18          HD23      LEU  18   1.078  -7.683  -5.084
  152    H    SER  19           H        SER  19  -1.758  -9.235  -6.970
  153    HA   SER  19           HA       SER  19  -4.113  -9.334  -8.512
  154    HB2  SER  19           HB2      SER  19  -3.132 -11.220  -6.357
  155    HB3  SER  19           HB3      SER  19  -4.379 -11.584  -7.551
  156    HG   SER  19           HG       SER  19  -2.720 -11.101  -9.169
  157    H    ASP  20           H        ASP  20  -6.268  -9.474  -7.921
  158    HA   ASP  20           HA       ASP  20  -7.081  -7.640  -5.941
  159    HB2  ASP  20           HB2      ASP  20  -8.331  -8.370  -8.061
  160    HB3  ASP  20           HB3      ASP  20  -8.850  -9.767  -7.119
  161    H    LYS  21           H        LYS  21  -6.782 -11.104  -5.975
  162    HA   LYS  21           HA       LYS  21  -8.339 -11.716  -3.722
  163    HB2  LYS  21           HB2      LYS  21  -5.947 -13.217  -4.803
  164    HB3  LYS  21           HB3      LYS  21  -7.184 -13.867  -3.734
  165    HG2  LYS  21           HG2      LYS  21  -8.865 -13.594  -5.455
  166    HG3  LYS  21           HG3      LYS  21  -7.677 -12.851  -6.527
  167    HD2  LYS  21           HD2      LYS  21  -7.954 -15.137  -7.179
  168    HD3  LYS  21           HD3      LYS  21  -6.365 -14.965  -6.433
  169    HE2  LYS  21           HE2      LYS  21  -7.420 -16.987  -5.650
  170    HE3  LYS  21           HE3      LYS  21  -7.293 -15.833  -4.326
  171    HZ1  LYS  21           HZ1      LYS  21  -9.465 -17.015  -4.502
  172    HZ2  LYS  21           HZ2      LYS  21  -9.749 -16.185  -5.950
  173    HZ3  LYS  21           HZ3      LYS  21  -9.589 -15.326  -4.498
  174    H    LEU  22           H        LEU  22  -4.843 -11.113  -4.041
  175    HA   LEU  22           HA       LEU  22  -4.413 -11.357  -1.231
  176    HB2  LEU  22           HB2      LEU  22  -2.152 -10.577  -1.662
  177    HB3  LEU  22           HB3      LEU  22  -2.608 -11.848  -2.774
  178    HG   LEU  22           HG       LEU  22  -3.143  -9.845  -4.388
  179   HD11  LEU  22          HD11      LEU  22  -1.128  -8.619  -2.509
  180   HD12  LEU  22          HD12      LEU  22  -2.788  -8.074  -2.749
  181   HD13  LEU  22          HD13      LEU  22  -1.620  -7.957  -4.068
  182   HD21  LEU  22          HD21      LEU  22  -0.864  -9.993  -5.249
  183   HD22  LEU  22          HD22      LEU  22  -1.465 -11.579  -4.763
  184   HD23  LEU  22          HD23      LEU  22  -0.330 -10.712  -3.728
  185    H    LEU  23           H        LEU  23  -5.312  -8.757  -3.361
  186    HA   LEU  23           HA       LEU  23  -4.587  -6.601  -1.709
  187    HB2  LEU  23           HB2      LEU  23  -6.769  -6.823  -3.785
  188    HB3  LEU  23           HB3      LEU  23  -6.404  -5.337  -2.933
  189    HG   LEU  23           HG       LEU  23  -4.494  -6.837  -4.726
  190   HD11  LEU  23          HD11      LEU  23  -4.724  -4.869  -6.186
  191   HD12  LEU  23          HD12      LEU  23  -5.978  -4.241  -5.114
  192   HD13  LEU  23          HD13      LEU  23  -6.245  -5.747  -5.996
  193   HD21  LEU  23          HD21      LEU  23  -3.309  -5.739  -2.928
  194   HD22  LEU  23          HD22      LEU  23  -4.186  -4.240  -3.228
  195   HD23  LEU  23          HD23      LEU  23  -3.059  -4.859  -4.436
  196    H    ARG  24           H        ARG  24  -7.641  -8.435  -1.894
  197    HA   ARG  24           HA       ARG  24  -8.950  -6.891   0.092
  198    HB2  ARG  24           HB2      ARG  24 -10.595  -8.720   0.159
  199    HB3  ARG  24           HB3      ARG  24 -10.216  -8.223  -1.484
  200    HG2  ARG  24           HG2      ARG  24  -8.643 -10.159  -1.618
  201    HG3  ARG  24           HG3      ARG  24  -9.274 -10.694  -0.058
  202    HD2  ARG  24           HD2      ARG  24 -10.412 -11.846  -1.862
  203    HD3  ARG  24           HD3      ARG  24 -11.530 -10.781  -1.014
  204    HE   ARG  24           HE       ARG  24 -10.258  -9.757  -3.438
  205   HH11  ARG  24          HH11      ARG  24 -13.121 -11.027  -1.877
  206   HH12  ARG  24          HH12      ARG  24 -14.192 -10.533  -3.153
  207   HH21  ARG  24          HH21      ARG  24 -11.649  -9.069  -5.099
  208   HH22  ARG  24          HH22      ARG  24 -13.360  -9.388  -4.971
  209    H    LYS  25           H        LYS  25  -6.266  -8.611   0.508
  210    HA   LYS  25           HA       LYS  25  -6.927  -9.315   3.281
  211    HB2  LYS  25           HB2      LYS  25  -4.852 -10.519   1.469
  212    HB3  LYS  25           HB3      LYS  25  -5.019 -10.892   3.180
  213    HG2  LYS  25           HG2      LYS  25  -7.302 -11.705   2.756
  214    HG3  LYS  25           HG3      LYS  25  -7.067 -11.395   1.034
  215    HD2  LYS  25           HD2      LYS  25  -5.433 -13.272   2.729
  216    HD3  LYS  25           HD3      LYS  25  -6.694 -13.737   1.585
  217    HE2  LYS  25           HE2      LYS  25  -5.408 -12.763  -0.239
  218    HE3  LYS  25           HE3      LYS  25  -4.156 -12.270   0.901
  219    HZ1  LYS  25           HZ1      LYS  25  -4.970 -15.071   0.329
  220    HZ2  LYS  25           HZ2      LYS  25  -3.762 -14.595   1.421
  221    HZ3  LYS  25           HZ3      LYS  25  -3.560 -14.318  -0.238
  222    H    VAL  26           H        VAL  26  -5.729  -6.855   1.695
  223    HA   VAL  26           HA       VAL  26  -3.211  -6.448   3.002
  224    HB   VAL  26           HB       VAL  26  -4.991  -4.716   1.289
  225   HG11  VAL  26          HG11      VAL  26  -2.375  -3.936   2.559
  226   HG12  VAL  26          HG12      VAL  26  -3.961  -3.255   2.920
  227   HG13  VAL  26          HG13      VAL  26  -3.239  -3.012   1.331
  228   HG21  VAL  26          HG21      VAL  26  -3.064  -4.828  -0.246
  229   HG22  VAL  26          HG22      VAL  26  -3.745  -6.414   0.115
  230   HG23  VAL  26          HG23      VAL  26  -2.250  -5.897   0.896
  231    H    ILE  27           H        ILE  27  -2.805  -5.023   4.728
  232    HA   ILE  27           HA       ILE  27  -5.227  -4.416   6.285
  233    HB   ILE  27           HB       ILE  27  -3.825  -4.524   8.317
  234   HG12  ILE  27          HG12      ILE  27  -1.700  -5.548   6.415
  235   HG13  ILE  27          HG13      ILE  27  -1.639  -4.042   7.324
  236   HG21  ILE  27          HG21      ILE  27  -5.147  -6.438   7.619
  237   HG22  ILE  27          HG22      ILE  27  -3.642  -6.967   8.369
  238   HG23  ILE  27          HG23      ILE  27  -3.817  -7.014   6.615
  239   HD11  ILE  27          HD11      ILE  27  -1.607  -5.326   9.414
  240   HD12  ILE  27          HD12      ILE  27  -0.250  -5.722   8.361
  241   HD13  ILE  27          HD13      ILE  27  -1.623  -6.822   8.477
  242    H    GLN  28           H        GLN  28  -2.160  -3.063   5.165
  243    HA   GLN  28           HA       GLN  28  -3.153  -0.409   5.880
  244    HB2  GLN  28           HB2      GLN  28  -0.449  -1.426   6.776
  245    HB3  GLN  28           HB3      GLN  28  -0.990   0.239   6.895
  246    HG2  GLN  28           HG2      GLN  28  -2.410  -2.031   8.249
  247    HG3  GLN  28           HG3      GLN  28  -1.085  -1.149   8.995
  248   HE21  GLN  28          HE21      GLN  28  -3.567   0.314   6.950
  249   HE22  GLN  28          HE22      GLN  28  -4.296   1.252   8.207
  250    H    VAL  29           H        VAL  29  -2.067   1.322   4.805
  251    HA   VAL  29           HA       VAL  29  -0.318   0.518   2.567
  252    HB   VAL  29           HB       VAL  29  -2.194   2.895   2.617
  253   HG11  VAL  29          HG11      VAL  29  -0.231   3.273   1.241
  254   HG12  VAL  29          HG12      VAL  29  -1.661   3.073   0.226
  255   HG13  VAL  29          HG13      VAL  29  -0.506   1.749   0.394
  256   HG21  VAL  29          HG21      VAL  29  -3.537   1.682   0.969
  257   HG22  VAL  29          HG22      VAL  29  -3.473   0.833   2.513
  258   HG23  VAL  29          HG23      VAL  29  -2.492   0.273   1.158
  259    H    GLU  30           H        GLU  30   1.687   1.374   2.688
  260    HA   GLU  30           HA       GLU  30   2.103   3.488   4.706
  261    HB2  GLU  30           HB2      GLU  30   4.219   1.513   3.926
  262    HB3  GLU  30           HB3      GLU  30   4.034   2.402   5.433
  263    HG2  GLU  30           HG2      GLU  30   1.984   1.040   5.882
  264    HG3  GLU  30           HG3      GLU  30   2.412   0.062   4.471
  265    H    LEU  31           H        LEU  31   3.928   4.930   4.363
  266    HA   LEU  31           HA       LEU  31   4.611   5.204   1.518
  267    HB2  LEU  31           HB2      LEU  31   3.126   6.999   2.133
  268    HB3  LEU  31           HB3      LEU  31   4.098   7.380   3.543
  269    HG   LEU  31           HG       LEU  31   5.935   8.123   2.104
  270   HD11  LEU  31          HD11      LEU  31   4.071   7.459  -0.171
  271   HD12  LEU  31          HD12      LEU  31   5.582   6.638   0.218
  272   HD13  LEU  31          HD13      LEU  31   5.604   8.317  -0.321
  273   HD21  LEU  31          HD21      LEU  31   4.262   9.755   2.787
  274   HD22  LEU  31          HD22      LEU  31   3.286   9.366   1.369
  275   HD23  LEU  31          HD23      LEU  31   4.869  10.116   1.170
  276    H    GLN  32           H        GLN  32   6.608   4.719   1.195
  277    HA   GLN  32           HA       GLN  32   8.678   5.302   3.168
  278    HB2  GLN  32           HB2      GLN  32   8.801   3.128   2.188
  279    HB3  GLN  32           HB3      GLN  32   8.639   3.784   0.566
  280    HG2  GLN  32           HG2      GLN  32  10.823   4.777   0.704
  281    HG3  GLN  32           HG3      GLN  32  10.980   4.268   2.388
  282   HE21  GLN  32          HE21      GLN  32  12.556   3.645  -0.013
  283   HE22  GLN  32          HE22      GLN  32  12.593   1.921  -0.094
  284    H    GLU  33           H        GLU  33   9.667   7.220   3.082
  285    HA   GLU  33           HA       GLU  33   9.172   8.981   0.862
  286    HB2  GLU  33           HB2      GLU  33  10.766   9.384   3.396
  287    HB3  GLU  33           HB3      GLU  33  10.348  10.651   2.246
  288    HG2  GLU  33           HG2      GLU  33   7.993  10.327   2.698
  289    HG3  GLU  33           HG3      GLU  33   8.362   8.985   3.782
  290    H    ALA  34           H        ALA  34  10.823  10.177  -0.257
  291    HA   ALA  34           HA       ALA  34  12.855   8.357  -1.227
  292    HB1  ALA  34           HB1      ALA  34  13.165   9.947  -3.016
  293    HB2  ALA  34           HB2      ALA  34  12.204  11.148  -2.155
  294    HB3  ALA  34           HB3      ALA  34  11.440   9.682  -2.763
  295    H    ASP  35           H        ASP  35  12.962  10.072   1.398
  296    HA   ASP  35           HA       ASP  35  15.776  10.268   1.488
  297    HB2  ASP  35           HB2      ASP  35  16.005  12.710   1.802
  298    HB3  ASP  35           HB3      ASP  35  15.462  12.306   0.179
  299    H    GLY  36           H        GLY  36  13.103   9.565   2.870
  300    HA2  GLY  36           HA2      GLY  36  13.485  10.914   5.429
  301    HA3  GLY  36           HA3      GLY  36  12.129   9.879   4.990
  302    H    ASP  37           H        ASP  37  12.311   7.652   5.186
  303    HA   ASP  37           HA       ASP  37  14.478   6.801   6.960
  304    HB2  ASP  37           HB2      ASP  37  11.988   6.421   7.460
  305    HB3  ASP  37           HB3      ASP  37  12.045   5.185   6.210
  306    H    CYS  38           H        CYS  38  14.211   7.019   3.781
  307    HA   CYS  38           HA       CYS  38  16.112   4.940   3.296
  308    HB2  CYS  38           HB2      CYS  38  13.726   3.869   3.240
  309    HB3  CYS  38           HB3      CYS  38  13.614   4.651   1.667
  310    H    HIS  39           H        HIS  39  16.410   4.772   0.742
  311    HA   HIS  39           HA       HIS  39  16.915   7.509  -0.078
  312    HB2  HIS  39           HB2      HIS  39  18.767   6.011  -0.267
  313    HB3  HIS  39           HB3      HIS  39  17.814   4.845  -1.178
  314    HD1  HIS  39           HD1      HIS  39  19.614   8.127  -1.550
  315    HD2  HIS  39           HD2      HIS  39  17.627   5.340  -3.914
  316    HE1  HIS  39           HE1      HIS  39  20.110   8.777  -3.925
  317    HE2  HIS  39           HE2      HIS  39  18.814   7.145  -5.340
  318    H    LEU  40           H        LEU  40  15.087   4.705  -1.294
  319    HA   LEU  40           HA       LEU  40  14.070   6.461  -3.402
  320    HB2  LEU  40           HB2      LEU  40  13.344   4.520  -4.632
  321    HB3  LEU  40           HB3      LEU  40  15.039   4.390  -4.243
  322    HG   LEU  40           HG       LEU  40  14.131   2.222  -4.078
  323   HD11  LEU  40          HD11      LEU  40  15.671   2.727  -2.282
  324   HD12  LEU  40          HD12      LEU  40  14.441   1.573  -1.764
  325   HD13  LEU  40          HD13      LEU  40  14.332   3.261  -1.265
  326   HD21  LEU  40          HD21      LEU  40  11.777   2.767  -3.990
  327   HD22  LEU  40          HD22      LEU  40  11.949   3.320  -2.322
  328   HD23  LEU  40          HD23      LEU  40  12.199   1.618  -2.718
  329    H    GLN  41           H        GLN  41  11.808   6.450  -3.918
  330    HA   GLN  41           HA       GLN  41  10.219   6.481  -1.468
  331    HB2  GLN  41           HB2      GLN  41  10.352   8.482  -2.966
  332    HB3  GLN  41           HB3      GLN  41   9.545   7.552  -4.215
  333    HG2  GLN  41           HG2      GLN  41   7.576   7.339  -2.777
  334    HG3  GLN  41           HG3      GLN  41   8.394   8.268  -1.524
  335   HE21  GLN  41          HE21      GLN  41   8.645  10.480  -1.769
  336   HE22  GLN  41          HE22      GLN  41   7.821  11.380  -2.997
  337    H    ALA  42           H        ALA  42   8.594   5.083  -1.091
  338    HA   ALA  42           HA       ALA  42   7.504   3.511  -3.287
  339    HB1  ALA  42           HB1      ALA  42   7.944   1.374  -2.161
  340    HB2  ALA  42           HB2      ALA  42   8.864   2.224  -0.921
  341    HB3  ALA  42           HB3      ALA  42   9.437   2.210  -2.588
  342    H    PHE  43           H        PHE  43   5.388   3.350  -3.048
  343    HA   PHE  43           HA       PHE  43   4.166   3.660  -0.426
  344    HB2  PHE  43           HB2      PHE  43   3.290   3.967  -3.183
  345    HB3  PHE  43           HB3      PHE  43   2.166   2.987  -2.251
  346    HD1  PHE  43           HD1      PHE  43   1.291   3.922  -0.071
  347    HD2  PHE  43           HD2      PHE  43   3.301   6.291  -2.981
  348    HE1  PHE  43           HE1      PHE  43   0.317   5.955   0.917
  349    HE2  PHE  43           HE2      PHE  43   2.331   8.327  -1.995
  350    HZ   PHE  43           HZ       PHE  43   0.837   8.160  -0.045
  351    H    VAL  44           H        VAL  44   4.049   1.939   0.816
  352    HA   VAL  44           HA       VAL  44   4.425  -0.681  -0.427
  353    HB   VAL  44           HB       VAL  44   4.705   0.093   2.481
  354   HG11  VAL  44          HG11      VAL  44   5.955  -1.992   2.691
  355   HG12  VAL  44          HG12      VAL  44   5.666  -2.347   0.987
  356   HG13  VAL  44          HG13      VAL  44   4.314  -2.296   2.119
  357   HG21  VAL  44          HG21      VAL  44   7.106   0.173   2.076
  358   HG22  VAL  44          HG22      VAL  44   6.264   1.329   1.036
  359   HG23  VAL  44          HG23      VAL  44   6.839  -0.199   0.367
  360    H    LEU  45           H        LEU  45   2.833  -2.106  -0.533
  361    HA   LEU  45           HA       LEU  45   0.403  -1.642   1.014
  362    HB2  LEU  45           HB2      LEU  45   1.009  -3.520  -1.270
  363    HB3  LEU  45           HB3      LEU  45  -0.517  -3.510  -0.404
  364    HG   LEU  45           HG       LEU  45   0.633  -1.313  -2.116
  365   HD11  LEU  45          HD11      LEU  45  -1.920  -2.895  -2.278
  366   HD12  LEU  45          HD12      LEU  45  -0.513  -3.071  -3.325
  367   HD13  LEU  45          HD13      LEU  45  -1.453  -1.580  -3.355
  368   HD21  LEU  45          HD21      LEU  45  -1.794  -1.237  -0.327
  369   HD22  LEU  45          HD22      LEU  45  -1.341   0.001  -1.500
  370   HD23  LEU  45          HD23      LEU  45  -0.305  -0.315  -0.108
  371    H    HIS  46           H        HIS  46   0.316  -2.469   2.923
  372    HA   HIS  46           HA       HIS  46   2.156  -4.639   3.604
  373    HB2  HIS  46           HB2      HIS  46   2.001  -2.356   4.814
  374    HB3  HIS  46           HB3      HIS  46   0.539  -3.003   5.544
  375    HD1  HIS  46           HD1      HIS  46   3.995  -2.630   6.205
  376    HD2  HIS  46           HD2      HIS  46   1.213  -5.651   6.884
  377    HE1  HIS  46           HE1      HIS  46   4.963  -4.051   8.044
  378    HE2  HIS  46           HE2      HIS  46   3.136  -5.689   8.607
  379    H    LEU  47           H        LEU  47   1.274  -6.616   3.406
  380    HA   LEU  47           HA       LEU  47  -1.478  -7.043   4.307
  381    HB2  LEU  47           HB2      LEU  47   0.509  -8.937   3.033
  382    HB3  LEU  47           HB3      LEU  47  -1.088  -9.410   3.572
  383    HG   LEU  47           HG       LEU  47  -1.960  -7.630   1.924
  384   HD11  LEU  47          HD11      LEU  47  -0.513  -7.172   0.024
  385   HD12  LEU  47          HD12      LEU  47   0.813  -8.031   0.808
  386   HD13  LEU  47          HD13      LEU  47   0.192  -6.536   1.509
  387   HD21  LEU  47          HD21      LEU  47  -2.256 -10.012   1.613
  388   HD22  LEU  47          HD22      LEU  47  -0.625 -10.153   0.955
  389   HD23  LEU  47          HD23      LEU  47  -1.857  -9.244   0.075
  390    H    ALA  48           H        ALA  48  -1.892  -8.761   5.886
  391    HA   ALA  48           HA       ALA  48  -0.314  -8.403   8.199
  392    HB1  ALA  48           HB1      ALA  48  -1.794  -9.987   9.256
  393    HB2  ALA  48           HB2      ALA  48  -2.372 -10.541   7.685
  394    HB3  ALA  48           HB3      ALA  48  -2.730  -8.901   8.229
  395    H    GLN  49           H        GLN  49   0.184 -10.388   5.539
  396    HA   GLN  49           HA       GLN  49   1.607 -12.402   7.125
  397    HB2  GLN  49           HB2      GLN  49   0.657 -12.564   4.257
  398    HB3  GLN  49           HB3      GLN  49   1.419 -13.860   5.168
  399    HG2  GLN  49           HG2      GLN  49  -0.829 -14.397   5.287
  400    HG3  GLN  49           HG3      GLN  49  -0.534 -13.574   6.815
  401   HE21  GLN  49          HE21      GLN  49  -0.929 -12.013   3.663
  402   HE22  GLN  49          HE22      GLN  49  -2.405 -11.199   4.068
  403    H    ARG  50           H        ARG  50   1.890 -10.173   4.411
  404    HA   ARG  50           HA       ARG  50   4.690  -9.869   4.904
  405    HB2  ARG  50           HB2      ARG  50   5.441 -10.455   2.641
  406    HB3  ARG  50           HB3      ARG  50   4.791 -11.846   3.489
  407    HG2  ARG  50           HG2      ARG  50   3.067 -10.266   1.627
  408    HG3  ARG  50           HG3      ARG  50   4.183 -11.472   1.016
  409    HD2  ARG  50           HD2      ARG  50   1.899 -11.887   2.915
  410    HD3  ARG  50           HD3      ARG  50   2.052 -12.508   1.272
  411    HE   ARG  50           HE       ARG  50   3.945 -13.358   3.360
  412   HH11  ARG  50          HH11      ARG  50   1.527 -14.143   0.947
  413   HH12  ARG  50          HH12      ARG  50   1.681 -15.864   1.178
  414   HH21  ARG  50          HH21      ARG  50   4.144 -15.589   3.666
  415   HH22  ARG  50          HH22      ARG  50   3.175 -16.687   2.728
  416    H    SER  51           H        SER  51   5.589  -8.068   3.788
  417    HA   SER  51           HA       SER  51   3.548  -6.177   2.868
  418    HB2  SER  51           HB2      SER  51   6.450  -5.609   3.508
  419    HB3  SER  51           HB3      SER  51   5.122  -4.451   3.394
  420    HG   SER  51           HG       SER  51   5.963  -5.662   5.546
  421    H    ILE  52           H        ILE  52   3.476  -5.424   0.828
  422    HA   ILE  52           HA       ILE  52   5.600  -6.305  -1.018
  423    HB   ILE  52           HB       ILE  52   2.739  -5.606  -1.715
  424   HG12  ILE  52          HG12      ILE  52   4.049  -8.332  -1.513
  425   HG13  ILE  52          HG13      ILE  52   2.905  -7.674  -0.349
  426   HG21  ILE  52          HG21      ILE  52   3.290  -6.613  -3.885
  427   HG22  ILE  52          HG22      ILE  52   4.956  -6.836  -3.349
  428   HG23  ILE  52          HG23      ILE  52   4.297  -5.210  -3.532
  429   HD11  ILE  52          HD11      ILE  52   1.845  -9.252  -1.856
  430   HD12  ILE  52          HD12      ILE  52   2.327  -8.268  -3.240
  431   HD13  ILE  52          HD13      ILE  52   1.180  -7.632  -2.060
  432    H    CYS  53           H        CYS  53   6.713  -4.736  -2.097
  433    HA   CYS  53           HA       CYS  53   5.985  -2.000  -1.344
  434    HB2  CYS  53           HB2      CYS  53   8.645  -3.064  -2.305
  435    HB3  CYS  53           HB3      CYS  53   8.329  -1.449  -1.676
  436    H    ILE  54           H        ILE  54   5.354  -0.595  -2.758
  437    HA   ILE  54           HA       ILE  54   5.754  -1.115  -5.626
  438    HB   ILE  54           HB       ILE  54   3.310  -0.737  -4.066
  439   HG12  ILE  54          HG12      ILE  54   3.840  -1.647  -6.900
  440   HG13  ILE  54          HG13      ILE  54   3.687  -2.677  -5.480
  441   HG21  ILE  54          HG21      ILE  54   2.117   0.637  -5.698
  442   HG22  ILE  54          HG22      ILE  54   3.641   0.953  -6.524
  443   HG23  ILE  54          HG23      ILE  54   3.401   1.519  -4.872
  444   HD11  ILE  54          HD11      ILE  54   1.658  -2.747  -6.765
  445   HD12  ILE  54          HD12      ILE  54   1.530  -0.987  -6.717
  446   HD13  ILE  54          HD13      ILE  54   1.354  -1.925  -5.230
  447    H    HIS  55           H        HIS  55   6.219   0.751  -6.906
  448    HA   HIS  55           HA       HIS  55   6.947   3.112  -5.396
  449    HB2  HIS  55           HB2      HIS  55   7.871   4.019  -7.422
  450    HB3  HIS  55           HB3      HIS  55   8.376   2.344  -7.293
  451    HD1  HIS  55           HD1      HIS  55   7.351   4.629  -9.730
  452    HD2  HIS  55           HD2      HIS  55   6.361   0.671  -8.934
  453    HE1  HIS  55           HE1      HIS  55   6.454   3.707 -11.892
  454    HE2  HIS  55           HE2      HIS  55   5.960   1.282 -11.416
  455    HA   PRO  56           HA       PRO  56   3.139   5.187  -5.364
  456    HB2  PRO  56           HB2      PRO  56   4.713   7.587  -6.183
  457    HB3  PRO  56           HB3      PRO  56   3.575   7.388  -4.843
  458    HG2  PRO  56           HG2      PRO  56   6.185   7.386  -4.385
  459    HG3  PRO  56           HG3      PRO  56   5.124   6.251  -3.532
  460    HD2  PRO  56           HD2      PRO  56   7.001   5.751  -5.801
  461    HD3  PRO  56           HD3      PRO  56   6.587   4.711  -4.424
  462    H    GLN  57           H        GLN  57   5.136   5.487  -8.200
  463    HA   GLN  57           HA       GLN  57   3.121   6.790  -9.790
  464    HB2  GLN  57           HB2      GLN  57   5.731   5.500 -10.600
  465    HB3  GLN  57           HB3      GLN  57   4.713   6.469 -11.652
  466    HG2  GLN  57           HG2      GLN  57   6.488   7.850 -10.948
  467    HG3  GLN  57           HG3      GLN  57   5.057   8.378 -10.067
  468   HE21  GLN  57          HE21      GLN  57   6.277   9.327  -8.442
  469   HE22  GLN  57          HE22      GLN  57   7.118   8.388  -7.256
  470    H    ASN  58           H        ASN  58   3.117   3.813  -8.600
  471    HA   ASN  58           HA       ASN  58   2.300   2.408 -11.026
  472    HB2  ASN  58           HB2      ASN  58   3.646   1.238  -9.249
  473    HB3  ASN  58           HB3      ASN  58   2.283   1.421  -8.158
  474   HD21  ASN  58          HD21      ASN  58   3.647  -0.964  -9.244
  475   HD22  ASN  58          HD22      ASN  58   2.402  -1.921  -9.961
  476    HA   PRO  59           HA       PRO  59  -1.918   3.881 -10.713
  477    HB2  PRO  59           HB2      PRO  59  -2.853   1.583 -12.087
  478    HB3  PRO  59           HB3      PRO  59  -2.504   3.171 -12.776
  479    HG2  PRO  59           HG2      PRO  59  -0.841   0.716 -12.730
  480    HG3  PRO  59           HG3      PRO  59  -0.897   2.018 -13.930
  481    HD2  PRO  59           HD2      PRO  59   1.151   1.770 -12.218
  482    HD3  PRO  59           HD3      PRO  59   0.544   3.363 -12.718
  483    H    SER  60           H        SER  60  -0.922   0.597  -9.904
  484    HA   SER  60           HA       SER  60  -3.359  -0.345  -8.915
  485    HB2  SER  60           HB2      SER  60  -0.649  -1.225  -7.927
  486    HB3  SER  60           HB3      SER  60  -2.132  -2.175  -8.018
  487    HG   SER  60           HG       SER  60  -0.387  -1.376 -10.074
  488    H    LEU  61           H        LEU  61  -0.881   1.596  -7.373
  489    HA   LEU  61           HA       LEU  61  -1.706   1.135  -4.695
  490    HB2  LEU  61           HB2      LEU  61   0.513   2.102  -5.675
  491    HB3  LEU  61           HB3      LEU  61  -0.320   3.637  -5.609
  492    HG   LEU  61           HG       LEU  61   1.153   3.298  -3.669
  493   HD11  LEU  61          HD11      LEU  61  -0.448   3.823  -1.907
  494   HD12  LEU  61          HD12      LEU  61  -1.768   3.293  -2.952
  495   HD13  LEU  61          HD13      LEU  61  -0.803   4.700  -3.396
  496   HD21  LEU  61          HD21      LEU  61  -0.653   0.974  -3.015
  497   HD22  LEU  61          HD22      LEU  61   0.595   1.634  -1.954
  498   HD23  LEU  61          HD23      LEU  61   1.045   0.876  -3.486
  499    H    SER  62           H        SER  62  -2.464   3.672  -7.075
  500    HA   SER  62           HA       SER  62  -4.028   5.233  -5.275
  501    HB2  SER  62           HB2      SER  62  -3.007   6.280  -7.219
  502    HB3  SER  62           HB3      SER  62  -3.914   5.230  -8.302
  503    HG   SER  62           HG       SER  62  -4.856   7.348  -6.682
  504    H    GLN  63           H        GLN  63  -4.882   3.011  -7.926
  505    HA   GLN  63           HA       GLN  63  -7.655   3.125  -7.553
  506    HB2  GLN  63           HB2      GLN  63  -7.763   1.021  -8.789
  507    HB3  GLN  63           HB3      GLN  63  -6.689   2.179  -9.562
  508    HG2  GLN  63           HG2      GLN  63  -4.777   1.007  -8.500
  509    HG3  GLN  63           HG3      GLN  63  -5.915  -0.220  -7.934
  510   HE21  GLN  63          HE21      GLN  63  -6.911  -1.572  -9.422
  511   HE22  GLN  63          HE22      GLN  63  -6.305  -1.760 -11.028
  512    H    TRP  64           H        TRP  64  -5.162   1.413  -5.829
  513    HA   TRP  64           HA       TRP  64  -6.847  -0.381  -4.464
  514    HB2  TRP  64           HB2      TRP  64  -4.432  -0.734  -4.474
  515    HB3  TRP  64           HB3      TRP  64  -4.190   0.771  -3.589
  516    HD1  TRP  64           HD1      TRP  64  -3.426   0.083  -1.229
  517    HE1  TRP  64           HE1      TRP  64  -4.299  -1.527   0.580
  518    HE3  TRP  64           HE3      TRP  64  -7.175  -2.179  -3.875
  519    HZ2  TRP  64           HZ2      TRP  64  -6.307  -3.480   0.851
  520    HZ3  TRP  64           HZ3      TRP  64  -8.528  -3.893  -2.764
  521    HH2  TRP  64           HH2      TRP  64  -8.102  -4.533  -0.451
  522    H    PHE  65           H        PHE  65  -5.918   2.979  -3.787
  523    HA   PHE  65           HA       PHE  65  -6.987   3.239  -1.235
  524    HB2  PHE  65           HB2      PHE  65  -6.994   5.224  -3.517
  525    HB3  PHE  65           HB3      PHE  65  -7.519   5.624  -1.887
  526    HD1  PHE  65           HD2      PHE  65  -5.565   4.439  -0.160
  527    HD2  PHE  65           HD1      PHE  65  -5.018   6.279  -3.952
  528    HE1  PHE  65           HE2      PHE  65  -3.250   4.979   0.448
  529    HE2  PHE  65           HE1      PHE  65  -2.695   6.821  -3.353
  530    HZ   PHE  65           HZ       PHE  65  -1.809   6.174  -1.149
  531    H    GLU  66           H        GLU  66  -8.614   3.529  -4.369
  532    HA   GLU  66           HA       GLU  66 -11.208   3.990  -3.339
  533    HB2  GLU  66           HB2      GLU  66 -10.531   2.624  -5.944
  534    HB3  GLU  66           HB3      GLU  66 -12.009   3.487  -5.551
  535    HG2  GLU  66           HG2      GLU  66 -10.692   5.575  -5.394
  536    HG3  GLU  66           HG3      GLU  66  -9.268   4.675  -5.920
  537    H    HIS  67           H        HIS  67  -9.497   1.041  -4.276
  538    HA   HIS  67           HA       HIS  67 -11.870  -0.541  -4.038
  539    HB2  HIS  67           HB2      HIS  67  -9.008  -1.242  -4.638
  540    HB3  HIS  67           HB3      HIS  67 -10.267  -2.468  -4.476
  541    HD1  HIS  67           HD1      HIS  67  -8.652  -0.545  -6.987
  542    HD2  HIS  67           HD2      HIS  67 -12.577  -1.715  -6.321
  543    HE1  HIS  67           HE1      HIS  67  -9.803  -0.331  -9.209
  544    HE2  HIS  67           HE2      HIS  67 -12.230  -0.816  -8.720
  545    H    GLN  68           H        GLN  68  -9.236   0.240  -1.852
  546    HA   GLN  68           HA       GLN  68  -9.954  -1.896  -0.042
  547    HB2  GLN  68           HB2      GLN  68  -8.417  -0.904   1.537
  548    HB3  GLN  68           HB3      GLN  68  -7.666  -0.989  -0.047
  549    HG2  GLN  68           HG2      GLN  68  -8.204   1.399  -0.377
  550    HG3  GLN  68           HG3      GLN  68  -8.830   1.445   1.271
  551   HE21  GLN  68          HE21      GLN  68  -6.609   2.851   0.013
  552   HE22  GLN  68          HE22      GLN  68  -5.217   2.502   0.970
  553    H    GLU  69           H        GLU  69 -11.036   1.284  -0.715
  554    HA   GLU  69           HA       GLU  69 -12.480   1.781   1.662
  555    HB2  GLU  69           HB2      GLU  69 -12.130   3.529   0.004
  556    HB3  GLU  69           HB3      GLU  69 -13.017   2.611  -1.200
  557    HG2  GLU  69           HG2      GLU  69 -14.374   4.416  -0.373
  558    HG3  GLU  69           HG3      GLU  69 -15.067   2.874   0.125
  559    H    ARG  70           H        ARG  70 -12.998  -0.320  -1.076
  560    HA   ARG  70           HA       ARG  70 -15.629  -1.034   0.021
  561    HB2  ARG  70           HB2      ARG  70 -16.217  -1.934  -2.137
  562    HB3  ARG  70           HB3      ARG  70 -15.647  -0.283  -2.317
  563    HG2  ARG  70           HG2      ARG  70 -13.478  -1.114  -3.078
  564    HG3  ARG  70           HG3      ARG  70 -14.057  -2.771  -2.901
  565    HD2  ARG  70           HD2      ARG  70 -14.255  -2.192  -5.200
  566    HD3  ARG  70           HD3      ARG  70 -15.881  -2.213  -4.519
  567    HE   ARG  70           HE       ARG  70 -14.343   0.244  -5.092
  568   HH11  ARG  70          HH11      ARG  70 -17.396  -1.428  -4.695
  569   HH12  ARG  70          HH12      ARG  70 -18.342  -0.104  -5.308
  570   HH21  ARG  70          HH21      ARG  70 -15.564   1.970  -5.887
  571   HH22  ARG  70          HH22      ARG  70 -17.295   1.830  -6.003
  572    H    LYS  71           H        LYS  71 -12.523  -2.104   0.211
  573    HA   LYS  71           HA       LYS  71 -13.455  -4.875   0.646
  574    HB2  LYS  71           HB2      LYS  71 -10.620  -3.991   0.084
  575    HB3  LYS  71           HB3      LYS  71 -11.156  -5.640   0.353
  576    HG2  LYS  71           HG2      LYS  71 -12.562  -5.416  -1.698
  577    HG3  LYS  71           HG3      LYS  71 -11.763  -3.867  -1.977
  578    HD2  LYS  71           HD2      LYS  71  -9.579  -5.232  -1.708
  579    HD3  LYS  71           HD3      LYS  71 -10.614  -6.620  -2.051
  580    HE2  LYS  71           HE2      LYS  71 -11.360  -5.499  -4.117
  581    HE3  LYS  71           HE3      LYS  71 -10.233  -4.187  -3.779
  582    HZ1  LYS  71           HZ1      LYS  71  -8.417  -5.761  -3.926
  583    HZ2  LYS  71           HZ2      LYS  71  -9.329  -5.762  -5.352
  584    HZ3  LYS  71           HZ3      LYS  71  -9.503  -7.023  -4.240
  585    H    LEU  72           H        LEU  72 -11.461  -5.867   2.111
  586    HA   LEU  72           HA       LEU  72 -10.702  -6.138   4.216
  587    HB2  LEU  72           HB2      LEU  72 -10.340  -3.204   4.596
  588    HB3  LEU  72           HB3      LEU  72  -9.278  -4.527   5.021
  589    HG   LEU  72           HG       LEU  72  -9.721  -3.440   2.245
  590   HD11  LEU  72          HD11      LEU  72  -8.479  -1.930   3.684
  591   HD12  LEU  72          HD12      LEU  72  -7.435  -2.629   2.447
  592   HD13  LEU  72          HD13      LEU  72  -7.366  -3.229   4.104
  593   HD21  LEU  72          HD21      LEU  72  -9.251  -5.819   2.166
  594   HD22  LEU  72          HD22      LEU  72  -7.853  -5.597   3.220
  595   HD23  LEU  72          HD23      LEU  72  -7.858  -4.897   1.601
  596    H    HIS  73           H        HIS  73 -12.190  -2.948   4.649
  597    HA   HIS  73           HA       HIS  73 -14.388  -3.813   6.197
  598    HB2  HIS  73           HB2      HIS  73 -12.328  -4.277   7.700
  599    HB3  HIS  73           HB3      HIS  73 -12.195  -2.529   7.828
  600    HD1  HIS  73           HD1      HIS  73 -13.550  -1.431   9.617
  601    HD2  HIS  73           HD2      HIS  73 -14.909  -5.265   8.720
  602    HE1  HIS  73           HE1      HIS  73 -15.333  -1.936  11.314
  603    HE2  HIS  73           HE2      HIS  73 -16.074  -4.296  10.820
  604    H    GLY  74           H        GLY  74 -13.087  -1.812   4.177
  605    HA2  GLY  74           HA2      GLY  74 -13.477   0.385   3.556
  606    HA3  GLY  74           HA3      GLY  74 -14.504   0.561   4.977
  607    H    THR  75           H        THR  75 -11.125  -0.440   4.781
  608    HA   THR  75           HA       THR  75 -10.466   1.752   6.619
  609    HB   THR  75           HB       THR  75  -8.528   0.183   7.268
  610    HG1  THR  75           HG1      THR  75  -8.777  -1.349   5.617
  611   HG21  THR  75          HG21      THR  75 -10.397   0.679   8.760
  612   HG22  THR  75          HG22      THR  75  -9.926  -1.014   8.895
  613   HG23  THR  75          HG23      THR  75 -11.367  -0.569   7.980
  614    H    LEU  76           H        LEU  76  -8.847   3.079   6.102
  615    HA   LEU  76           HA       LEU  76  -6.783   2.489   4.272
  616    HB2  LEU  76           HB2      LEU  76  -7.373   3.984   2.473
  617    HB3  LEU  76           HB3      LEU  76  -8.579   2.728   2.646
  618    HG   LEU  76           HG       LEU  76  -9.930   4.470   3.977
  619   HD11  LEU  76          HD11      LEU  76  -9.367   6.714   3.775
  620   HD12  LEU  76          HD12      LEU  76  -8.259   6.409   2.438
  621   HD13  LEU  76          HD13      LEU  76  -7.817   5.909   4.076
  622   HD21  LEU  76          HD21      LEU  76 -10.523   3.692   1.730
  623   HD22  LEU  76          HD22      LEU  76  -9.428   4.883   1.027
  624   HD23  LEU  76          HD23      LEU  76 -10.853   5.414   1.922
  625    HA   PRO  77           HA       PRO  77  -5.092   5.846   6.533
  626    HB2  PRO  77           HB2      PRO  77  -2.970   6.506   5.026
  627    HB3  PRO  77           HB3      PRO  77  -3.063   4.971   5.897
  628    HG2  PRO  77           HG2      PRO  77  -3.570   5.531   3.001
  629    HG3  PRO  77           HG3      PRO  77  -2.693   4.179   3.741
  630    HD2  PRO  77           HD2      PRO  77  -5.291   4.034   2.875
  631    HD3  PRO  77           HD3      PRO  77  -4.616   3.007   4.154
  632    H    LYS  78           H        LYS  78  -6.219   7.667   6.660
  633    HA   LYS  78           HA       LYS  78  -6.930   9.172   4.292
  634    HB2  LYS  78           HB2      LYS  78  -7.459   9.783   7.202
  635    HB3  LYS  78           HB3      LYS  78  -8.186  10.600   5.828
  636    HG2  LYS  78           HG2      LYS  78  -9.244   8.480   5.159
  637    HG3  LYS  78           HG3      LYS  78  -8.559   7.711   6.590
  638    HD2  LYS  78           HD2      LYS  78  -9.778   9.342   7.995
  639    HD3  LYS  78           HD3      LYS  78 -10.516  10.003   6.536
  640    HE2  LYS  78           HE2      LYS  78 -11.513   7.811   6.062
  641    HE3  LYS  78           HE3      LYS  78 -10.795   7.173   7.540
  642    HZ1  LYS  78           HZ1      LYS  78 -12.081   8.880   8.773
  643    HZ2  LYS  78           HZ2      LYS  78 -13.049   7.738   7.982
  644    HZ3  LYS  78           HZ3      LYS  78 -12.863   9.289   7.323
  645    H    LEU  79           H        LEU  79  -5.117  10.089   3.451
  646    HA   LEU  79           HA       LEU  79  -3.909  12.229   4.976
  647    HB2  LEU  79           HB2      LEU  79  -1.599  11.262   4.140
  648    HB3  LEU  79           HB3      LEU  79  -2.293  10.832   5.689
  649    HG   LEU  79           HG       LEU  79  -3.221   8.764   4.630
  650   HD11  LEU  79          HD11      LEU  79  -3.212   9.510   2.301
  651   HD12  LEU  79          HD12      LEU  79  -2.298   8.017   2.509
  652   HD13  LEU  79          HD13      LEU  79  -1.450   9.551   2.324
  653   HD21  LEU  79          HD21      LEU  79  -1.194   8.742   5.955
  654   HD22  LEU  79          HD22      LEU  79  -0.238   9.141   4.526
  655   HD23  LEU  79          HD23      LEU  79  -1.082   7.593   4.619
  656    H    ASN  80           H        ASN  80  -5.455  11.700   2.480
  657    HA   ASN  80           HA       ASN  80  -5.211  12.203   0.135
  658    HB2  ASN  80           HB2      ASN  80  -5.588  14.660   1.836
  659    HB3  ASN  80           HB3      ASN  80  -5.828  14.651   0.090
  660   HD21  ASN  80          HD21      ASN  80  -7.024  13.571   3.153
  661   HD22  ASN  80          HD22      ASN  80  -8.563  13.013   2.586
  662    H    PHE  81           H        PHE  81  -3.292  11.929  -0.931
  663    HA   PHE  81           HA       PHE  81  -1.343  14.119  -0.731
  664    HB2  PHE  81           HB2      PHE  81  -1.091  11.247  -1.546
  665    HB3  PHE  81           HB3      PHE  81   0.078  12.428  -2.123
  666    HD1  PHE  81           HD2      PHE  81   1.417  13.726  -0.459
  667    HD2  PHE  81           HD1      PHE  81  -0.968  10.378   0.633
  668    HE1  PHE  81           HE2      PHE  81   2.690  13.509   1.635
  669    HE2  PHE  81           HE1      PHE  81   0.300  10.156   2.730
  670    HZ   PHE  81           HZ       PHE  81   2.131  11.722   3.232
  671    H    GLY  82           H        GLY  82  -3.925  14.003  -2.342
  672    HA2  GLY  82           HA2      GLY  82  -4.360  15.267  -4.290
  673    HA3  GLY  82           HA3      GLY  82  -2.712  14.972  -4.825
  674    H    MET  83           H        MET  83  -2.752  12.147  -4.436
  675    HA   MET  83           HA       MET  83  -4.462  11.379  -6.689
  676    HB2  MET  83           HB2      MET  83  -2.964   9.304  -6.702
  677    HB3  MET  83           HB3      MET  83  -2.242  10.824  -7.199
  678    HG2  MET  83           HG2      MET  83  -0.710   9.587  -5.821
  679    HG3  MET  83           HG3      MET  83  -1.214  11.051  -4.987
  680    HE1  MET  83           HE1      MET  83  -0.734   8.584  -2.005
  681    HE2  MET  83           HE2      MET  83  -0.346  10.173  -2.661
  682    HE3  MET  83           HE3      MET  83   0.259   8.721  -3.459
  683    H    LEU  84           H        LEU  84  -5.025  11.615  -3.683
  684    HA   LEU  84           HA       LEU  84  -5.762   8.919  -2.936
  685    HB2  LEU  84           HB2      LEU  84  -5.484  11.491  -1.614
  686    HB3  LEU  84           HB3      LEU  84  -6.960  10.670  -1.143
  687    HG   LEU  84           HG       LEU  84  -5.124  10.201   0.405
  688   HD11  LEU  84          HD11      LEU  84  -5.277   7.761   0.393
  689   HD12  LEU  84          HD12      LEU  84  -5.952   7.817  -1.235
  690   HD13  LEU  84          HD13      LEU  84  -6.845   8.519   0.114
  691   HD21  LEU  84          HD21      LEU  84  -3.227   8.824  -0.328
  692   HD22  LEU  84          HD22      LEU  84  -3.249  10.404  -1.117
  693   HD23  LEU  84          HD23      LEU  84  -3.785   8.969  -1.997
  694    H    ARG  85           H        ARG  85  -7.020  10.943  -5.061
  695    HA   ARG  85           HA       ARG  85  -8.990  11.168  -6.118
  696    HB2  ARG  85           HB2      ARG  85  -9.583   8.622  -4.628
  697    HB3  ARG  85           HB3      ARG  85 -10.507   9.207  -6.007
  698    HG2  ARG  85           HG2      ARG  85  -7.561   8.686  -6.202
  699    HG3  ARG  85           HG3      ARG  85  -8.742   7.390  -6.394
  700    HD2  ARG  85           HD2      ARG  85  -8.996   9.920  -7.969
  701    HD3  ARG  85           HD3      ARG  85  -7.892   8.646  -8.492
  702    HE   ARG  85           HE       ARG  85 -10.263   7.356  -8.027
  703   HH11  ARG  85          HH11      ARG  85  -9.361  10.106 -10.020
  704   HH12  ARG  85          HH12      ARG  85 -10.486   9.699 -11.287
  705   HH21  ARG  85          HH21      ARG  85 -11.717   6.843  -9.652
  706   HH22  ARG  85          HH22      ARG  85 -11.845   7.843 -11.072
  707    H    LYS  86           H        LYS  86  -8.605  12.357  -3.583
  708    HA   LYS  86           HA       LYS  86  -9.615  13.376  -1.811
  709    HB2  LYS  86           HB2      LYS  86 -10.418  14.622  -3.812
  710    HB3  LYS  86           HB3      LYS  86 -11.880  13.648  -3.788
  711    HG2  LYS  86           HG2      LYS  86 -12.711  14.692  -1.917
  712    HG3  LYS  86           HG3      LYS  86 -11.112  15.170  -1.344
  713    HD2  LYS  86           HD2      LYS  86 -12.402  16.312  -3.814
  714    HD3  LYS  86           HD3      LYS  86 -12.544  17.042  -2.213
  715    HE2  LYS  86           HE2      LYS  86  -9.931  16.470  -3.608
  716    HE3  LYS  86           HE3      LYS  86 -10.743  18.034  -3.618
  717    HZ1  LYS  86           HZ1      LYS  86 -10.501  18.197  -1.262
  718    HZ2  LYS  86           HZ2      LYS  86  -8.978  17.839  -1.915
  719    HZ3  LYS  86           HZ3      LYS  86  -9.874  16.624  -1.146
  720    H    MET  87           H        MET  87 -10.195  10.413  -2.129
  721    HA   MET  87           HA       MET  87 -12.577  10.368  -0.389
  722    HB2  MET  87           HB2      MET  87 -13.029   8.117  -1.121
  723    HB3  MET  87           HB3      MET  87 -12.869   9.142  -2.538
  724    HG2  MET  87           HG2      MET  87 -10.571   8.329  -2.841
  725    HG3  MET  87           HG3      MET  87 -10.785   7.259  -1.455
  726    HE1  MET  87           HE1      MET  87 -13.390   8.192  -4.287
  727    HE2  MET  87           HE2      MET  87 -13.072   6.897  -5.443
  728    HE3  MET  87           HE3      MET  87 -11.830   8.104  -5.107
  729    H    GLY  88           H        GLY  88  -9.345  10.270  -0.371
  730    HA2  GLY  88           HA2      GLY  88  -9.172   8.341   1.842
  731    HA3  GLY  88           HA3      GLY  88  -7.815   8.863   0.847
  Start of MODEL   24
    1    H1   PHE   1           HT1      PHE   1  13.268 -13.597   1.770
    2    H2   PHE   1           HT2      PHE   1  14.741 -13.015   1.165
    3    H3   PHE   1           HT3      PHE   1  13.282 -12.573   0.421
    4    HA   PHE   1           HA       PHE   1  14.069 -11.866   3.186
    5    HB2  PHE   1           HB2      PHE   1  14.248  -9.545   2.285
    6    HB3  PHE   1           HB3      PHE   1  15.472 -10.639   1.662
    7    HD1  PHE   1           HD1      PHE   1  12.456  -8.715   0.842
    8    HD2  PHE   1           HD2      PHE   1  15.544 -11.228  -0.665
    9    HE1  PHE   1           HE1      PHE   1  11.858  -8.066  -1.454
   10    HE2  PHE   1           HE2      PHE   1  14.948 -10.583  -2.965
   11    HZ   PHE   1           HZ       PHE   1  13.103  -9.002  -3.359
   12    H    LEU   2           H        LEU   2  12.595 -10.881   4.371
   13    HA   LEU   2           HA       LEU   2   9.941 -10.405   3.183
   14    HB2  LEU   2           HB2      LEU   2   9.933 -12.354   4.685
   15    HB3  LEU   2           HB3      LEU   2  10.635 -11.386   5.962
   16    HG   LEU   2           HG       LEU   2   7.999 -10.532   4.849
   17   HD11  LEU   2          HD11      LEU   2   8.386 -12.814   6.787
   18   HD12  LEU   2          HD12      LEU   2   7.727 -12.937   5.155
   19   HD13  LEU   2          HD13      LEU   2   6.846 -12.050   6.398
   20   HD21  LEU   2          HD21      LEU   2   7.634  -9.889   7.192
   21   HD22  LEU   2          HD22      LEU   2   9.098  -9.161   6.534
   22   HD23  LEU   2          HD23      LEU   2   9.213 -10.551   7.613
   23    H    LEU   3           H        LEU   3   9.003  -8.436   3.694
   24    HA   LEU   3           HA       LEU   3  10.846  -6.492   4.820
   25    HB2  LEU   3           HB2      LEU   3   8.279  -6.274   3.286
   26    HB3  LEU   3           HB3      LEU   3   8.892  -4.897   4.181
   27    HG   LEU   3           HG       LEU   3   9.556  -4.687   1.884
   28   HD11  LEU   3          HD11      LEU   3  11.887  -5.517   3.604
   29   HD12  LEU   3          HD12      LEU   3  11.160  -3.913   3.521
   30   HD13  LEU   3          HD13      LEU   3  11.995  -4.576   2.117
   31   HD21  LEU   3          HD21      LEU   3  10.976  -6.337   0.768
   32   HD22  LEU   3          HD22      LEU   3   9.412  -7.022   1.211
   33   HD23  LEU   3          HD23      LEU   3  10.843  -7.399   2.171
   34    HA   PRO   4           HA       PRO   4   8.808  -7.095   8.781
   35    HB2  PRO   4           HB2      PRO   4  10.880  -5.200   9.662
   36    HB3  PRO   4           HB3      PRO   4  10.557  -6.845  10.215
   37    HG2  PRO   4           HG2      PRO   4  12.718  -6.239   8.732
   38    HG3  PRO   4           HG3      PRO   4  11.880  -7.795   8.582
   39    HD2  PRO   4           HD2      PRO   4  11.743  -5.391   6.805
   40    HD3  PRO   4           HD3      PRO   4  11.781  -7.120   6.372
   41    HA   PRO   5           HA       PRO   5   6.164  -3.572   9.046
   42    HB2  PRO   5           HB2      PRO   5   6.518  -3.796  11.995
   43    HB3  PRO   5           HB3      PRO   5   5.034  -3.765  11.036
   44    HG2  PRO   5           HG2      PRO   5   5.917  -6.046  12.082
   45    HG3  PRO   5           HG3      PRO   5   5.204  -6.008  10.457
   46    HD2  PRO   5           HD2      PRO   5   8.078  -6.191  11.265
   47    HD3  PRO   5           HD3      PRO   5   7.228  -6.985   9.923
   48    H    SER   6           H        SER   6   6.779  -1.586   8.616
   49    HA   SER   6           HA       SER   6   7.565   0.524   8.866
   50    HB2  SER   6           HB2      SER   6   6.900   0.292  11.265
   51    HB3  SER   6           HB3      SER   6   8.516  -0.310  11.619
   52    HG   SER   6           HG       SER   6   7.807   2.261  10.631
   53    H    THR   7           H        THR   7   9.246  -2.073   8.312
   54    HA   THR   7           HA       THR   7  11.815  -0.633   8.161
   55    HB   THR   7           HB       THR   7  11.488  -3.637   8.334
   56    HG1  THR   7           HG1      THR   7  10.908  -2.437  10.295
   57   HG21  THR   7          HG21      THR   7  13.899  -3.635   8.741
   58   HG22  THR   7          HG22      THR   7  13.936  -1.878   8.607
   59   HG23  THR   7          HG23      THR   7  13.535  -2.862   7.199
   60    H    ALA   8           H        ALA   8  11.452   0.182   6.093
   61    HA   ALA   8           HA       ALA   8  11.395  -1.833   3.983
   62    HB1  ALA   8           HB1      ALA   8   9.069  -1.183   4.338
   63    HB2  ALA   8           HB2      ALA   8   9.649  -0.667   2.756
   64    HB3  ALA   8           HB3      ALA   8   9.497   0.504   4.065
   65    H    CYS   9           H        CYS   9  13.620  -1.226   3.741
   66    HA   CYS   9           HA       CYS   9  13.877   1.255   2.193
   67    HB2  CYS   9           HB2      CYS   9  15.573   0.896   3.990
   68    HB3  CYS   9           HB3      CYS   9  16.084  -0.576   3.175
   69    H    CYS  10           H        CYS  10  12.867   0.615   0.382
   70    HA   CYS  10           HA       CYS  10  13.083  -1.979  -0.713
   71    HB2  CYS  10           HB2      CYS  10  12.065   0.552  -2.000
   72    HB3  CYS  10           HB3      CYS  10  11.744  -1.092  -2.540
   73    H    THR  11           H        THR  11  14.815  -2.751  -1.704
   74    HA   THR  11           HA       THR  11  16.366  -1.009  -3.448
   75    HB   THR  11           HB       THR  11  17.805  -3.084  -3.704
   76    HG1  THR  11           HG1      THR  11  16.793  -4.842  -3.052
   77   HG21  THR  11          HG21      THR  11  18.806  -2.897  -1.464
   78   HG22  THR  11          HG22      THR  11  17.367  -2.044  -0.898
   79   HG23  THR  11          HG23      THR  11  18.400  -1.312  -2.126
   80    H    GLN  12           H        GLN  12  13.562  -2.296  -3.758
   81    HA   GLN  12           HA       GLN  12  13.727  -2.748  -6.567
   82    HB2  GLN  12           HB2      GLN  12  12.485  -5.012  -6.323
   83    HB3  GLN  12           HB3      GLN  12  14.231  -4.975  -6.190
   84    HG2  GLN  12           HG2      GLN  12  13.262  -6.452  -4.535
   85    HG3  GLN  12           HG3      GLN  12  14.066  -5.093  -3.761
   86   HE21  GLN  12          HE21      GLN  12  12.906  -3.729  -2.508
   87   HE22  GLN  12          HE22      GLN  12  11.235  -3.933  -2.140
   88    H    LEU  13           H        LEU  13  11.580  -2.993  -7.548
   89    HA   LEU  13           HA       LEU  13   9.349  -2.245  -5.789
   90    HB2  LEU  13           HB2      LEU  13  10.065  -0.876  -8.392
   91    HB3  LEU  13           HB3      LEU  13   8.583  -0.606  -7.492
   92    HG   LEU  13           HG       LEU  13  11.334  -0.048  -6.372
   93   HD11  LEU  13          HD11      LEU  13  10.927   2.290  -6.831
   94   HD12  LEU  13          HD12      LEU  13   9.380   1.901  -7.578
   95   HD13  LEU  13          HD13      LEU  13  10.881   1.369  -8.335
   96   HD21  LEU  13          HD21      LEU  13   8.564   0.738  -5.478
   97   HD22  LEU  13          HD22      LEU  13  10.067   1.297  -4.745
   98   HD23  LEU  13          HD23      LEU  13   9.638  -0.412  -4.681
   99    H    TYR  14           H        TYR  14   7.411  -3.172  -6.336
  100    HA   TYR  14           HA       TYR  14   7.558  -5.534  -7.866
  101    HB2  TYR  14           HB2      TYR  14   6.068  -5.208  -5.905
  102    HB3  TYR  14           HB3      TYR  14   5.069  -4.133  -6.876
  103    HD1  TYR  14           HD1      TYR  14   6.528  -7.572  -7.139
  104    HD2  TYR  14           HD2      TYR  14   3.162  -5.052  -7.767
  105    HE1  TYR  14           HE1      TYR  14   5.235  -9.505  -7.939
  106    HE2  TYR  14           HE2      TYR  14   1.860  -6.975  -8.571
  107    HH   TYR  14           HH       TYR  14   2.925 -10.203  -8.186
  108    H    ARG  15           H        ARG  15   5.936  -2.439  -8.525
  109    HA   ARG  15           HA       ARG  15   5.605  -1.333 -10.483
  110    HB2  ARG  15           HB2      ARG  15   7.032  -3.704 -11.653
  111    HB3  ARG  15           HB3      ARG  15   6.381  -2.415 -12.654
  112    HG2  ARG  15           HG2      ARG  15   7.828  -0.804 -11.607
  113    HG3  ARG  15           HG3      ARG  15   8.409  -2.020 -10.462
  114    HD2  ARG  15           HD2      ARG  15   9.446  -3.272 -12.200
  115    HD3  ARG  15           HD3      ARG  15   8.682  -2.290 -13.447
  116    HE   ARG  15           HE       ARG  15  10.093  -0.417 -12.398
  117   HH11  ARG  15          HH11      ARG  15  11.063  -3.772 -12.428
  118   HH12  ARG  15          HH12      ARG  15  12.747  -3.421 -12.656
  119   HH21  ARG  15          HH21      ARG  15  12.313   0.065 -12.714
  120   HH22  ARG  15          HH22      ARG  15  13.464  -1.242 -12.837
  121    H    LYS  16           H        LYS  16   4.421  -4.576 -10.118
  122    HA   LYS  16           HA       LYS  16   2.548  -4.190 -12.338
  123    HB2  LYS  16           HB2      LYS  16   3.172  -6.704 -10.782
  124    HB3  LYS  16           HB3      LYS  16   2.193  -6.599 -12.239
  125    HG2  LYS  16           HG2      LYS  16   5.145  -6.064 -12.002
  126    HG3  LYS  16           HG3      LYS  16   4.372  -7.435 -12.801
  127    HD2  LYS  16           HD2      LYS  16   3.425  -5.989 -14.478
  128    HD3  LYS  16           HD3      LYS  16   4.011  -4.555 -13.629
  129    HE2  LYS  16           HE2      LYS  16   6.331  -5.361 -13.976
  130    HE3  LYS  16           HE3      LYS  16   5.690  -6.702 -14.925
  131    HZ1  LYS  16           HZ1      LYS  16   4.853  -5.189 -16.547
  132    HZ2  LYS  16           HZ2      LYS  16   6.475  -4.776 -16.255
  133    HZ3  LYS  16           HZ3      LYS  16   5.229  -3.843 -15.584
  134    HA   PRO  17           HA       PRO  17  -1.061  -4.056  -9.669
  135    HB2  PRO  17           HB2      PRO  17  -2.465  -5.929 -11.418
  136    HB3  PRO  17           HB3      PRO  17  -2.794  -4.221 -11.120
  137    HG2  PRO  17           HG2      PRO  17  -1.829  -5.104 -13.476
  138    HG3  PRO  17           HG3      PRO  17  -1.390  -3.519 -12.808
  139    HD2  PRO  17           HD2      PRO  17   0.162  -6.086 -12.774
  140    HD3  PRO  17           HD3      PRO  17   0.728  -4.434 -13.103
  141    H    LEU  18           H        LEU  18  -1.167  -5.116  -7.769
  142    HA   LEU  18           HA       LEU  18  -0.456  -7.885  -7.575
  143    HB2  LEU  18           HB2      LEU  18  -1.524  -5.954  -5.522
  144    HB3  LEU  18           HB3      LEU  18  -1.124  -7.621  -5.159
  145    HG   LEU  18           HG       LEU  18   1.214  -6.922  -6.173
  146   HD11  LEU  18          HD11      LEU  18   0.598  -4.726  -6.853
  147   HD12  LEU  18          HD12      LEU  18   1.802  -4.638  -5.566
  148   HD13  LEU  18          HD13      LEU  18   0.105  -4.316  -5.211
  149   HD21  LEU  18          HD21      LEU  18   0.298  -6.183  -3.390
  150   HD22  LEU  18          HD22      LEU  18   1.976  -6.383  -3.891
  151   HD23  LEU  18          HD23      LEU  18   0.881  -7.764  -3.909
  152    H    SER  19           H        SER  19  -1.839  -9.549  -6.679
  153    HA   SER  19           HA       SER  19  -4.322  -9.732  -7.987
  154    HB2  SER  19           HB2      SER  19  -3.312 -11.387  -5.664
  155    HB3  SER  19           HB3      SER  19  -4.585 -11.840  -6.797
  156    HG   SER  19           HG       SER  19  -2.706 -12.808  -7.475
  157    H    ASP  20           H        ASP  20  -6.320  -9.160  -7.396
  158    HA   ASP  20           HA       ASP  20  -6.756  -7.418  -5.243
  159    HB2  ASP  20           HB2      ASP  20  -8.123  -7.549  -7.345
  160    HB3  ASP  20           HB3      ASP  20  -8.866  -9.010  -6.701
  161    H    LYS  21           H        LYS  21  -7.003 -10.860  -5.525
  162    HA   LYS  21           HA       LYS  21  -8.556 -11.514  -3.309
  163    HB2  LYS  21           HB2      LYS  21  -6.131 -13.004  -4.334
  164    HB3  LYS  21           HB3      LYS  21  -7.441 -13.676  -3.375
  165    HG2  LYS  21           HG2      LYS  21  -8.998 -13.331  -5.188
  166    HG3  LYS  21           HG3      LYS  21  -7.746 -12.538  -6.146
  167    HD2  LYS  21           HD2      LYS  21  -6.448 -14.617  -6.154
  168    HD3  LYS  21           HD3      LYS  21  -7.717 -15.407  -5.214
  169    HE2  LYS  21           HE2      LYS  21  -9.301 -15.067  -7.019
  170    HE3  LYS  21           HE3      LYS  21  -8.091 -14.181  -7.945
  171    HZ1  LYS  21           HZ1      LYS  21  -6.752 -16.199  -8.045
  172    HZ2  LYS  21           HZ2      LYS  21  -8.287 -16.455  -8.718
  173    HZ3  LYS  21           HZ3      LYS  21  -7.930 -17.048  -7.171
  174    H    LEU  22           H        LEU  22  -5.017 -11.025  -3.513
  175    HA   LEU  22           HA       LEU  22  -4.713 -11.283  -0.677
  176    HB2  LEU  22           HB2      LEU  22  -2.388 -10.687  -1.015
  177    HB3  LEU  22           HB3      LEU  22  -2.886 -11.924  -2.147
  178    HG   LEU  22           HG       LEU  22  -3.203  -9.881  -3.775
  179   HD11  LEU  22          HD11      LEU  22  -2.759  -8.152  -2.117
  180   HD12  LEU  22          HD12      LEU  22  -1.547  -8.126  -3.399
  181   HD13  LEU  22          HD13      LEU  22  -1.155  -8.828  -1.828
  182   HD21  LEU  22          HD21      LEU  22  -1.675 -11.738  -4.124
  183   HD22  LEU  22          HD22      LEU  22  -0.508 -11.005  -3.022
  184   HD23  LEU  22          HD23      LEU  22  -0.904 -10.209  -4.545
  185    H    LEU  23           H        LEU  23  -5.366  -8.709  -2.890
  186    HA   LEU  23           HA       LEU  23  -4.520  -6.524  -1.359
  187    HB2  LEU  23           HB2      LEU  23  -6.738  -6.740  -3.394
  188    HB3  LEU  23           HB3      LEU  23  -6.248  -5.228  -2.660
  189    HG   LEU  23           HG       LEU  23  -4.531  -6.987  -4.416
  190   HD11  LEU  23          HD11      LEU  23  -6.214  -5.756  -5.668
  191   HD12  LEU  23          HD12      LEU  23  -4.614  -5.079  -5.968
  192   HD13  LEU  23          HD13      LEU  23  -5.731  -4.256  -4.878
  193   HD21  LEU  23          HD21      LEU  23  -2.875  -5.174  -4.251
  194   HD22  LEU  23          HD22      LEU  23  -3.179  -5.941  -2.693
  195   HD23  LEU  23          HD23      LEU  23  -3.893  -4.370  -3.054
  196    H    ARG  24           H        ARG  24  -7.713  -8.122  -1.466
  197    HA   ARG  24           HA       ARG  24  -8.964  -6.417   0.375
  198    HB2  ARG  24           HB2      ARG  24 -10.709  -8.047   0.514
  199    HB3  ARG  24           HB3      ARG  24 -10.128  -8.026  -1.144
  200    HG2  ARG  24           HG2      ARG  24  -8.791 -10.040  -0.674
  201    HG3  ARG  24           HG3      ARG  24  -9.454 -10.069   0.962
  202    HD2  ARG  24           HD2      ARG  24 -11.737 -10.184  -0.068
  203    HD3  ARG  24           HD3      ARG  24 -10.954 -10.392  -1.631
  204    HE   ARG  24           HE       ARG  24  -9.938 -12.309   0.160
  205   HH11  ARG  24          HH11      ARG  24 -12.923 -11.538  -1.521
  206   HH12  ARG  24          HH12      ARG  24 -13.447 -13.193  -1.601
  207   HH21  ARG  24          HH21      ARG  24 -10.652 -14.472   0.085
  208   HH22  ARG  24          HH22      ARG  24 -12.162 -14.854  -0.692
  209    H    LYS  25           H        LYS  25  -6.378  -8.341   0.974
  210    HA   LYS  25           HA       LYS  25  -7.121  -8.813   3.778
  211    HB2  LYS  25           HB2      LYS  25  -4.936 -10.092   2.149
  212    HB3  LYS  25           HB3      LYS  25  -5.263 -10.420   3.845
  213    HG2  LYS  25           HG2      LYS  25  -7.553 -11.171   3.160
  214    HG3  LYS  25           HG3      LYS  25  -7.015 -11.048   1.483
  215    HD2  LYS  25           HD2      LYS  25  -5.809 -12.783   3.632
  216    HD3  LYS  25           HD3      LYS  25  -6.792 -13.334   2.273
  217    HE2  LYS  25           HE2      LYS  25  -5.095 -12.554   0.717
  218    HE3  LYS  25           HE3      LYS  25  -4.132 -11.936   2.059
  219    HZ1  LYS  25           HZ1      LYS  25  -3.328 -14.095   1.286
  220    HZ2  LYS  25           HZ2      LYS  25  -4.839 -14.793   1.626
  221    HZ3  LYS  25           HZ3      LYS  25  -3.887 -14.189   2.887
  222    H    VAL  26           H        VAL  26  -5.582  -6.605   1.914
  223    HA   VAL  26           HA       VAL  26  -3.241  -6.140   3.515
  224    HB   VAL  26           HB       VAL  26  -4.614  -4.242   1.591
  225   HG11  VAL  26          HG11      VAL  26  -2.412  -3.147   1.494
  226   HG12  VAL  26          HG12      VAL  26  -1.830  -4.247   2.745
  227   HG13  VAL  26          HG13      VAL  26  -3.117  -3.098   3.110
  228   HG21  VAL  26          HG21      VAL  26  -3.980  -6.276   0.435
  229   HG22  VAL  26          HG22      VAL  26  -2.360  -6.197   1.125
  230   HG23  VAL  26          HG23      VAL  26  -2.890  -4.968  -0.023
  231    H    ILE  27           H        ILE  27  -3.462  -5.547   5.558
  232    HA   ILE  27           HA       ILE  27  -5.857  -4.476   6.602
  233    HB   ILE  27           HB       ILE  27  -4.581  -4.240   8.732
  234   HG12  ILE  27          HG12      ILE  27  -2.307  -5.331   7.054
  235   HG13  ILE  27          HG13      ILE  27  -2.372  -3.743   7.810
  236   HG21  ILE  27          HG21      ILE  27  -4.371  -6.884   7.300
  237   HG22  ILE  27          HG22      ILE  27  -5.763  -6.281   8.199
  238   HG23  ILE  27          HG23      ILE  27  -4.263  -6.657   9.046
  239   HD11  ILE  27          HD11      ILE  27  -2.317  -6.379   9.267
  240   HD12  ILE  27          HD12      ILE  27  -2.345  -4.779  10.012
  241   HD13  ILE  27          HD13      ILE  27  -0.952  -5.282   9.053
  242    H    GLN  28           H        GLN  28  -2.805  -3.008   5.651
  243    HA   GLN  28           HA       GLN  28  -3.992  -0.380   5.771
  244    HB2  GLN  28           HB2      GLN  28  -1.938  -1.275   7.744
  245    HB3  GLN  28           HB3      GLN  28  -1.838   0.366   7.124
  246    HG2  GLN  28           HG2      GLN  28  -4.196  -0.863   8.529
  247    HG3  GLN  28           HG3      GLN  28  -3.057   0.294   9.215
  248   HE21  GLN  28          HE21      GLN  28  -5.927   0.533   8.926
  249   HE22  GLN  28          HE22      GLN  28  -6.212   1.923   7.934
  250    H    VAL  29           H        VAL  29  -2.696   1.254   4.797
  251    HA   VAL  29           HA       VAL  29  -0.532   0.202   3.103
  252    HB   VAL  29           HB       VAL  29  -0.842   2.230   1.713
  253   HG11  VAL  29          HG11      VAL  29  -2.977   1.568   0.691
  254   HG12  VAL  29          HG12      VAL  29  -3.325   0.563   2.099
  255   HG13  VAL  29          HG13      VAL  29  -1.950   0.184   1.061
  256   HG21  VAL  29          HG21      VAL  29  -2.814   3.639   2.011
  257   HG22  VAL  29          HG22      VAL  29  -1.766   3.710   3.426
  258   HG23  VAL  29          HG23      VAL  29  -3.242   2.746   3.471
  259    H    GLU  30           H        GLU  30   1.430   1.416   2.958
  260    HA   GLU  30           HA       GLU  30   1.757   3.462   5.033
  261    HB2  GLU  30           HB2      GLU  30   3.878   2.489   5.732
  262    HB3  GLU  30           HB3      GLU  30   2.572   1.334   5.945
  263    HG2  GLU  30           HG2      GLU  30   3.261   0.343   3.720
  264    HG3  GLU  30           HG3      GLU  30   4.702   1.355   3.835
  265    H    LEU  31           H        LEU  31   2.936   5.174   4.448
  266    HA   LEU  31           HA       LEU  31   4.029   5.179   1.742
  267    HB2  LEU  31           HB2      LEU  31   2.515   6.990   2.201
  268    HB3  LEU  31           HB3      LEU  31   3.385   7.419   3.661
  269    HG   LEU  31           HG       LEU  31   5.293   8.174   2.346
  270   HD11  LEU  31          HD11      LEU  31   5.165   8.288  -0.100
  271   HD12  LEU  31          HD12      LEU  31   3.647   7.394  -0.059
  272   HD13  LEU  31          HD13      LEU  31   5.139   6.622   0.478
  273   HD21  LEU  31          HD21      LEU  31   3.511   9.762   2.838
  274   HD22  LEU  31          HD22      LEU  31   2.686   9.307   1.346
  275   HD23  LEU  31          HD23      LEU  31   4.257  10.107   1.278
  276    H    GLN  32           H        GLN  32   6.045   4.580   1.596
  277    HA   GLN  32           HA       GLN  32   7.929   5.020   3.750
  278    HB2  GLN  32           HB2      GLN  32   7.750   2.992   2.063
  279    HB3  GLN  32           HB3      GLN  32   8.711   4.038   1.029
  280    HG2  GLN  32           HG2      GLN  32   9.471   3.096   3.788
  281    HG3  GLN  32           HG3      GLN  32  10.102   2.468   2.269
  282   HE21  GLN  32          HE21      GLN  32  11.499   3.757   1.048
  283   HE22  GLN  32          HE22      GLN  32  12.305   5.129   1.717
  284    H    GLU  33           H        GLU  33   8.650   7.006   3.972
  285    HA   GLU  33           HA       GLU  33   8.478   9.010   2.001
  286    HB2  GLU  33           HB2      GLU  33  10.170   9.048   4.506
  287    HB3  GLU  33           HB3      GLU  33   9.535  10.437   3.628
  288    HG2  GLU  33           HG2      GLU  33   7.278   9.830   4.225
  289    HG3  GLU  33           HG3      GLU  33   7.853   8.365   5.018
  290    H    ALA  34           H        ALA  34  10.249  10.249   1.076
  291    HA   ALA  34           HA       ALA  34  12.104   8.453  -0.198
  292    HB1  ALA  34           HB1      ALA  34  11.835  11.437  -0.497
  293    HB2  ALA  34           HB2      ALA  34  10.899  10.247  -1.397
  294    HB3  ALA  34           HB3      ALA  34  12.647  10.331  -1.604
  295    H    ASP  35           H        ASP  35  12.426   9.137   2.679
  296    HA   ASP  35           HA       ASP  35  15.184   9.243   2.928
  297    HB2  ASP  35           HB2      ASP  35  15.691  11.465   3.604
  298    HB3  ASP  35           HB3      ASP  35  14.776  11.629   2.111
  299    H    GLY  36           H        GLY  36  12.141   8.869   4.041
  300    HA2  GLY  36           HA2      GLY  36  12.522   9.505   6.826
  301    HA3  GLY  36           HA3      GLY  36  11.111   8.743   6.110
  302    H    ASP  37           H        ASP  37  13.555   6.995   4.946
  303    HA   ASP  37           HA       ASP  37  14.462   5.474   7.147
  304    HB2  ASP  37           HB2      ASP  37  12.045   4.752   7.090
  305    HB3  ASP  37           HB3      ASP  37  12.336   4.108   5.476
  306    H    CYS  38           H        CYS  38  13.555   5.413   3.746
  307    HA   CYS  38           HA       CYS  38  16.249   4.411   3.105
  308    HB2  CYS  38           HB2      CYS  38  14.326   2.751   2.794
  309    HB3  CYS  38           HB3      CYS  38  13.759   3.799   1.507
  310    H    HIS  39           H        HIS  39  16.943   5.088   0.876
  311    HA   HIS  39           HA       HIS  39  16.556   7.915   0.710
  312    HB2  HIS  39           HB2      HIS  39  18.206   7.839  -1.120
  313    HB3  HIS  39           HB3      HIS  39  18.755   7.002   0.324
  314    HD1  HIS  39           HD1      HIS  39  20.231   5.202  -0.537
  315    HD2  HIS  39           HD2      HIS  39  16.678   5.447  -2.692
  316    HE1  HIS  39           HE1      HIS  39  20.267   3.260  -2.137
  317    HE2  HIS  39           HE2      HIS  39  18.093   3.402  -3.409
  318    H    LEU  40           H        LEU  40  14.487   5.697  -0.391
  319    HA   LEU  40           HA       LEU  40  13.754   7.392  -2.664
  320    HB2  LEU  40           HB2      LEU  40  12.953   5.317  -3.850
  321    HB3  LEU  40           HB3      LEU  40  14.685   5.541  -3.762
  322    HG   LEU  40           HG       LEU  40  14.575   3.932  -1.739
  323   HD11  LEU  40          HD11      LEU  40  11.955   3.287  -3.082
  324   HD12  LEU  40          HD12      LEU  40  12.163   3.926  -1.451
  325   HD13  LEU  40          HD13      LEU  40  12.746   2.308  -1.845
  326   HD21  LEU  40          HD21      LEU  40  15.614   3.414  -3.884
  327   HD22  LEU  40          HD22      LEU  40  14.044   2.950  -4.539
  328   HD23  LEU  40          HD23      LEU  40  14.769   2.008  -3.231
  329    H    GLN  41           H        GLN  41  11.521   7.436  -3.189
  330    HA   GLN  41           HA       GLN  41   9.836   7.053  -0.848
  331    HB2  GLN  41           HB2      GLN  41   9.733   9.207  -2.022
  332    HB3  GLN  41           HB3      GLN  41   9.269   8.388  -3.505
  333    HG2  GLN  41           HG2      GLN  41   7.206   7.623  -2.408
  334    HG3  GLN  41           HG3      GLN  41   7.669   8.513  -0.960
  335   HE21  GLN  41          HE21      GLN  41   8.313   9.713  -4.162
  336   HE22  GLN  41          HE22      GLN  41   7.175  11.018  -4.115
  337    H    ALA  42           H        ALA  42   8.243   5.562  -0.708
  338    HA   ALA  42           HA       ALA  42   7.443   4.095  -3.101
  339    HB1  ALA  42           HB1      ALA  42   8.579   2.711  -0.674
  340    HB2  ALA  42           HB2      ALA  42   9.374   2.859  -2.244
  341    HB3  ALA  42           HB3      ALA  42   7.884   1.922  -2.093
  342    H    PHE  43           H        PHE  43   5.471   3.036  -2.913
  343    HA   PHE  43           HA       PHE  43   3.969   3.593  -0.448
  344    HB2  PHE  43           HB2      PHE  43   3.219   3.546  -3.301
  345    HB3  PHE  43           HB3      PHE  43   2.075   2.755  -2.220
  346    HD1  PHE  43           HD2      PHE  43   0.969   4.010  -0.441
  347    HD2  PHE  43           HD1      PHE  43   3.502   5.918  -3.286
  348    HE1  PHE  43           HE2      PHE  43   0.039   6.199   0.196
  349    HE2  PHE  43           HE1      PHE  43   2.568   8.104  -2.655
  350    HZ   PHE  43           HZ       PHE  43   0.839   8.246  -0.911
  351    H    VAL  44           H        VAL  44   4.226   1.897   0.855
  352    HA   VAL  44           HA       VAL  44   4.506  -0.747  -0.355
  353    HB   VAL  44           HB       VAL  44   5.039   0.101   2.496
  354   HG11  VAL  44          HG11      VAL  44   4.611  -2.290   2.267
  355   HG12  VAL  44          HG12      VAL  44   6.309  -1.988   2.644
  356   HG13  VAL  44          HG13      VAL  44   5.829  -2.397   0.997
  357   HG21  VAL  44          HG21      VAL  44   7.406   0.093   1.855
  358   HG22  VAL  44          HG22      VAL  44   6.487   1.284   0.933
  359   HG23  VAL  44          HG23      VAL  44   6.948  -0.242   0.184
  360    H    LEU  45           H        LEU  45   3.033  -2.308  -0.120
  361    HA   LEU  45           HA       LEU  45   0.572  -1.619   1.289
  362    HB2  LEU  45           HB2      LEU  45   1.177  -3.882  -0.617
  363    HB3  LEU  45           HB3      LEU  45  -0.396  -3.541   0.085
  364    HG   LEU  45           HG       LEU  45   1.138  -1.826  -1.862
  365   HD11  LEU  45          HD11      LEU  45  -1.519  -3.226  -2.047
  366   HD12  LEU  45          HD12      LEU  45  -0.036  -3.676  -2.888
  367   HD13  LEU  45          HD13      LEU  45  -0.839  -2.151  -3.268
  368   HD21  LEU  45          HD21      LEU  45  -1.459  -1.220  -0.458
  369   HD22  LEU  45          HD22      LEU  45  -0.719  -0.254  -1.735
  370   HD23  LEU  45          HD23      LEU  45   0.082  -0.414  -0.172
  371    H    HIS  46           H        HIS  46   0.151  -2.371   3.217
  372    HA   HIS  46           HA       HIS  46   2.125  -4.249   4.311
  373    HB2  HIS  46           HB2      HIS  46   1.858  -1.852   5.182
  374    HB3  HIS  46           HB3      HIS  46   0.353  -2.408   5.902
  375    HD1  HIS  46           HD1      HIS  46   4.044  -2.625   6.223
  376    HD2  HIS  46           HD2      HIS  46   0.656  -4.116   8.118
  377    HE1  HIS  46           HE1      HIS  46   4.853  -3.597   8.399
  378    HE2  HIS  46           HE2      HIS  46   2.747  -4.210   9.639
  379    H    LEU  47           H        LEU  47   1.352  -6.259   4.296
  380    HA   LEU  47           HA       LEU  47  -1.373  -6.714   5.267
  381    HB2  LEU  47           HB2      LEU  47   0.620  -8.607   4.011
  382    HB3  LEU  47           HB3      LEU  47  -0.934  -9.104   4.646
  383    HG   LEU  47           HG       LEU  47  -1.918  -7.393   2.964
  384   HD11  LEU  47          HD11      LEU  47  -0.559  -7.082   0.955
  385   HD12  LEU  47          HD12      LEU  47   0.810  -7.843   1.766
  386   HD13  LEU  47          HD13      LEU  47   0.171  -6.312   2.363
  387   HD21  LEU  47          HD21      LEU  47  -0.631  -9.949   2.009
  388   HD22  LEU  47          HD22      LEU  47  -1.962  -9.100   1.224
  389   HD23  LEU  47          HD23      LEU  47  -2.192  -9.816   2.818
  390    H    ALA  48           H        ALA  48  -1.434  -8.801   6.737
  391    HA   ALA  48           HA       ALA  48  -0.050  -7.864   9.088
  392    HB1  ALA  48           HB1      ALA  48  -1.972 -10.169   8.800
  393    HB2  ALA  48           HB2      ALA  48  -2.418  -8.506   9.179
  394    HB3  ALA  48           HB3      ALA  48  -1.435  -9.436  10.311
  395    H    GLN  49           H        GLN  49   0.929  -9.794   6.680
  396    HA   GLN  49           HA       GLN  49   2.626 -11.395   8.463
  397    HB2  GLN  49           HB2      GLN  49   1.525 -12.420   5.846
  398    HB3  GLN  49           HB3      GLN  49   2.446 -13.317   7.037
  399    HG2  GLN  49           HG2      GLN  49   0.279 -14.062   7.350
  400    HG3  GLN  49           HG3      GLN  49   0.496 -12.868   8.625
  401   HE21  GLN  49          HE21      GLN  49  -0.069 -12.064   5.244
  402   HE22  GLN  49          HE22      GLN  49  -1.636 -11.387   5.492
  403    H    ARG  50           H        ARG  50   2.532  -9.078   6.086
  404    HA   ARG  50           HA       ARG  50   5.237  -9.330   5.288
  405    HB2  ARG  50           HB2      ARG  50   4.810  -9.918   2.895
  406    HB3  ARG  50           HB3      ARG  50   4.506 -11.237   4.021
  407    HG2  ARG  50           HG2      ARG  50   2.105 -10.755   3.930
  408    HG3  ARG  50           HG3      ARG  50   2.421  -9.452   2.783
  409    HD2  ARG  50           HD2      ARG  50   1.665 -11.575   1.743
  410    HD3  ARG  50           HD3      ARG  50   3.221 -10.994   1.147
  411    HE   ARG  50           HE       ARG  50   3.658 -12.784   3.277
  412   HH11  ARG  50          HH11      ARG  50   2.651 -12.766  -0.089
  413   HH12  ARG  50          HH12      ARG  50   3.116 -14.424  -0.349
  414   HH21  ARG  50          HH21      ARG  50   4.289 -14.936   2.909
  415   HH22  ARG  50          HH22      ARG  50   4.044 -15.647   1.345
  416    H    SER  51           H        SER  51   5.776  -7.849   3.472
  417    HA   SER  51           HA       SER  51   3.778  -5.761   2.996
  418    HB2  SER  51           HB2      SER  51   6.633  -5.052   3.704
  419    HB3  SER  51           HB3      SER  51   5.222  -3.996   3.654
  420    HG   SER  51           HG       SER  51   6.096  -5.709   5.653
  421    H    ILE  52           H        ILE  52   3.666  -5.339   0.888
  422    HA   ILE  52           HA       ILE  52   5.933  -6.122  -0.817
  423    HB   ILE  52           HB       ILE  52   3.055  -5.563  -1.582
  424   HG12  ILE  52          HG12      ILE  52   3.311  -8.048  -2.359
  425   HG13  ILE  52          HG13      ILE  52   4.638  -8.085  -1.206
  426   HG21  ILE  52          HG21      ILE  52   5.366  -6.415  -3.320
  427   HG22  ILE  52          HG22      ILE  52   4.543  -4.855  -3.359
  428   HG23  ILE  52          HG23      ILE  52   3.682  -6.320  -3.832
  429   HD11  ILE  52          HD11      ILE  52   1.775  -7.405  -0.581
  430   HD12  ILE  52          HD12      ILE  52   3.104  -7.447   0.579
  431   HD13  ILE  52          HD13      ILE  52   2.586  -8.930  -0.226
  432    H    CYS  53           H        CYS  53   6.956  -4.601  -2.131
  433    HA   CYS  53           HA       CYS  53   6.342  -1.849  -1.327
  434    HB2  CYS  53           HB2      CYS  53   8.616  -2.714  -0.847
  435    HB3  CYS  53           HB3      CYS  53   8.871  -2.925  -2.576
  436    H    ILE  54           H        ILE  54   5.979  -0.258  -2.731
  437    HA   ILE  54           HA       ILE  54   5.700  -0.974  -5.554
  438    HB   ILE  54           HB       ILE  54   3.604  -0.398  -3.594
  439   HG12  ILE  54          HG12      ILE  54   3.547  -1.599  -6.361
  440   HG13  ILE  54          HG13      ILE  54   3.757  -2.489  -4.855
  441   HG21  ILE  54          HG21      ILE  54   3.529   1.014  -6.239
  442   HG22  ILE  54          HG22      ILE  54   3.505   1.741  -4.632
  443   HG23  ILE  54          HG23      ILE  54   2.135   0.778  -5.187
  444   HD11  ILE  54          HD11      ILE  54   1.537  -1.827  -4.136
  445   HD12  ILE  54          HD12      ILE  54   1.475  -2.642  -5.699
  446   HD13  ILE  54          HD13      ILE  54   1.326  -0.887  -5.613
  447    H    HIS  55           H        HIS  55   5.995   0.669  -6.982
  448    HA   HIS  55           HA       HIS  55   7.251   3.097  -6.181
  449    HB2  HIS  55           HB2      HIS  55   7.597   1.919  -8.378
  450    HB3  HIS  55           HB3      HIS  55   5.961   2.382  -8.834
  451    HD1  HIS  55           HD1      HIS  55   5.902   4.358 -10.297
  452    HD2  HIS  55           HD2      HIS  55   9.162   4.441  -7.715
  453    HE1  HIS  55           HE1      HIS  55   7.184   6.439 -10.885
  454    HE2  HIS  55           HE2      HIS  55   9.013   6.580  -9.154
  455    HA   PRO  56           HA       PRO  56   3.630   5.512  -5.041
  456    HB2  PRO  56           HB2      PRO  56   5.104   7.641  -6.539
  457    HB3  PRO  56           HB3      PRO  56   4.319   7.725  -4.957
  458    HG2  PRO  56           HG2      PRO  56   6.962   7.497  -5.142
  459    HG3  PRO  56           HG3      PRO  56   6.062   6.627  -3.889
  460    HD2  PRO  56           HD2      PRO  56   7.323   5.594  -6.376
  461    HD3  PRO  56           HD3      PRO  56   7.076   4.787  -4.814
  462    H    GLN  57           H        GLN  57   4.940   6.212  -8.293
  463    HA   GLN  57           HA       GLN  57   2.259   6.148  -9.402
  464    HB2  GLN  57           HB2      GLN  57   4.971   6.394 -10.718
  465    HB3  GLN  57           HB3      GLN  57   3.444   6.433 -11.586
  466    HG2  GLN  57           HG2      GLN  57   4.243   8.380  -9.440
  467    HG3  GLN  57           HG3      GLN  57   4.411   8.664 -11.172
  468   HE21  GLN  57          HE21      GLN  57   2.189   8.356  -8.522
  469   HE22  GLN  57          HE22      GLN  57   0.805   8.978  -9.343
  470    H    ASN  58           H        ASN  58   1.730   4.014  -8.715
  471    HA   ASN  58           HA       ASN  58   2.818   1.948 -10.521
  472    HB2  ASN  58           HB2      ASN  58   3.609   1.790  -8.081
  473    HB3  ASN  58           HB3      ASN  58   1.947   1.360  -7.697
  474   HD21  ASN  58          HD21      ASN  58   1.233  -0.672  -8.140
  475   HD22  ASN  58          HD22      ASN  58   2.232  -1.929  -8.779
  476    HA   PRO  59           HA       PRO  59  -1.375   1.506 -11.837
  477    HB2  PRO  59           HB2      PRO  59  -0.570  -1.328 -12.262
  478    HB3  PRO  59           HB3      PRO  59  -1.309  -0.185 -13.388
  479    HG2  PRO  59           HG2      PRO  59   1.271  -0.802 -13.586
  480    HG3  PRO  59           HG3      PRO  59   0.710   0.859 -13.862
  481    HD2  PRO  59           HD2      PRO  59   2.092  -0.307 -11.482
  482    HD3  PRO  59           HD3      PRO  59   2.274   1.298 -12.217
  483    H    SER  60           H        SER  60   0.048  -0.746  -9.519
  484    HA   SER  60           HA       SER  60  -2.486  -1.875  -8.787
  485    HB2  SER  60           HB2      SER  60  -0.130  -2.982  -8.456
  486    HB3  SER  60           HB3      SER  60  -0.071  -1.994  -6.997
  487    HG   SER  60           HG       SER  60  -2.229  -2.963  -6.553
  488    H    LEU  61           H        LEU  61  -0.586   0.873  -7.708
  489    HA   LEU  61           HA       LEU  61  -1.698   0.862  -5.050
  490    HB2  LEU  61           HB2      LEU  61   0.629   1.744  -5.992
  491    HB3  LEU  61           HB3      LEU  61  -0.271   3.239  -6.137
  492    HG   LEU  61           HG       LEU  61   1.008   3.159  -4.053
  493   HD11  LEU  61          HD11      LEU  61  -1.958   2.969  -3.586
  494   HD12  LEU  61          HD12      LEU  61  -1.068   4.421  -4.048
  495   HD13  LEU  61          HD13      LEU  61  -0.781   3.671  -2.476
  496   HD21  LEU  61          HD21      LEU  61   0.479   1.579  -2.290
  497   HD22  LEU  61          HD22      LEU  61   1.009   0.727  -3.742
  498   HD23  LEU  61          HD23      LEU  61  -0.704   0.786  -3.332
  499    H    SER  62           H        SER  62  -2.018   2.989  -7.900
  500    HA   SER  62           HA       SER  62  -3.802   4.818  -6.752
  501    HB2  SER  62           HB2      SER  62  -2.547   5.001  -8.973
  502    HB3  SER  62           HB3      SER  62  -3.820   3.997  -9.659
  503    HG   SER  62           HG       SER  62  -3.922   6.492  -9.627
  504    H    GLN  63           H        GLN  63  -4.467   1.949  -8.771
  505    HA   GLN  63           HA       GLN  63  -7.257   1.983  -8.506
  506    HB2  GLN  63           HB2      GLN  63  -5.400  -0.370  -8.864
  507    HB3  GLN  63           HB3      GLN  63  -7.147  -0.450  -9.015
  508    HG2  GLN  63           HG2      GLN  63  -6.990   1.196 -10.875
  509    HG3  GLN  63           HG3      GLN  63  -5.232   1.062 -10.766
  510   HE21  GLN  63          HE21      GLN  63  -4.245  -0.909 -11.270
  511   HE22  GLN  63          HE22      GLN  63  -5.044  -2.109 -12.223
  512    H    TRP  64           H        TRP  64  -4.721   0.855  -6.373
  513    HA   TRP  64           HA       TRP  64  -6.373  -0.759  -4.767
  514    HB2  TRP  64           HB2      TRP  64  -3.926  -1.016  -4.726
  515    HB3  TRP  64           HB3      TRP  64  -3.775   0.579  -3.994
  516    HD1  TRP  64           HD1      TRP  64  -2.883  -0.021  -1.619
  517    HE1  TRP  64           HE1      TRP  64  -3.782  -1.419   0.342
  518    HE3  TRP  64           HE3      TRP  64  -6.830  -2.300  -3.953
  519    HZ2  TRP  64           HZ2      TRP  64  -5.885  -3.224   0.835
  520    HZ3  TRP  64           HZ3      TRP  64  -8.223  -3.827  -2.670
  521    HH2  TRP  64           HH2      TRP  64  -7.767  -4.289  -0.330
  522    H    PHE  65           H        PHE  65  -5.535   2.660  -4.635
  523    HA   PHE  65           HA       PHE  65  -6.737   3.237  -2.178
  524    HB2  PHE  65           HB2      PHE  65  -5.945   4.770  -4.552
  525    HB3  PHE  65           HB3      PHE  65  -7.282   5.480  -3.650
  526    HD1  PHE  65           HD2      PHE  65  -3.803   4.258  -3.330
  527    HD2  PHE  65           HD1      PHE  65  -6.929   6.588  -1.630
  528    HE1  PHE  65           HE2      PHE  65  -2.224   5.163  -1.672
  529    HE2  PHE  65           HE1      PHE  65  -5.359   7.494   0.028
  530    HZ   PHE  65           HZ       PHE  65  -3.002   6.785   0.010
  531    H    GLU  66           H        GLU  66  -8.157   2.934  -5.404
  532    HA   GLU  66           HA       GLU  66 -10.794   3.600  -4.495
  533    HB2  GLU  66           HB2      GLU  66  -9.815   2.283  -7.026
  534    HB3  GLU  66           HB3      GLU  66 -11.499   2.699  -6.728
  535    HG2  GLU  66           HG2      GLU  66  -9.214   4.661  -6.761
  536    HG3  GLU  66           HG3      GLU  66 -10.319   4.360  -8.103
  537    H    HIS  67           H        HIS  67  -9.027   0.599  -5.056
  538    HA   HIS  67           HA       HIS  67 -11.251  -1.117  -4.642
  539    HB2  HIS  67           HB2      HIS  67  -8.283  -1.559  -4.638
  540    HB3  HIS  67           HB3      HIS  67  -9.382  -2.848  -4.164
  541    HD1  HIS  67           HD1      HIS  67  -9.193  -4.412  -6.126
  542    HD2  HIS  67           HD2      HIS  67  -9.900  -0.465  -7.275
  543    HE1  HIS  67           HE1      HIS  67  -9.566  -4.474  -8.612
  544    HE2  HIS  67           HE2      HIS  67  -9.890  -2.072  -9.304
  545    H    GLN  68           H        GLN  68  -8.725   0.109  -2.459
  546    HA   GLN  68           HA       GLN  68  -9.598  -1.399  -0.212
  547    HB2  GLN  68           HB2      GLN  68  -8.169   0.037   1.115
  548    HB3  GLN  68           HB3      GLN  68  -7.339  -0.392  -0.373
  549    HG2  GLN  68           HG2      GLN  68  -8.067   1.820  -1.301
  550    HG3  GLN  68           HG3      GLN  68  -8.641   2.228   0.313
  551   HE21  GLN  68          HE21      GLN  68  -5.796   0.298  -0.210
  552   HE22  GLN  68          HE22      GLN  68  -4.658   1.490   0.305
  553    H    GLU  69           H        GLU  69 -10.610   1.554  -1.678
  554    HA   GLU  69           HA       GLU  69 -12.117   2.714   0.375
  555    HB2  GLU  69           HB2      GLU  69 -11.655   3.785  -1.806
  556    HB3  GLU  69           HB3      GLU  69 -12.706   2.618  -2.593
  557    HG2  GLU  69           HG2      GLU  69 -13.934   4.615  -2.386
  558    HG3  GLU  69           HG3      GLU  69 -14.579   3.498  -1.182
  559    H    ARG  70           H        ARG  70 -12.704  -0.017  -1.709
  560    HA   ARG  70           HA       ARG  70 -15.363  -0.371  -0.497
  561    HB2  ARG  70           HB2      ARG  70 -15.936  -1.679  -2.518
  562    HB3  ARG  70           HB3      ARG  70 -15.513  -0.013  -2.883
  563    HG2  ARG  70           HG2      ARG  70 -13.204  -0.835  -3.440
  564    HG3  ARG  70           HG3      ARG  70 -13.845  -2.474  -3.318
  565    HD2  ARG  70           HD2      ARG  70 -13.899  -1.865  -5.613
  566    HD3  ARG  70           HD3      ARG  70 -15.561  -1.827  -5.025
  567    HE   ARG  70           HE       ARG  70 -14.596   0.745  -4.743
  568   HH11  ARG  70          HH11      ARG  70 -15.144  -1.519  -7.352
  569   HH12  ARG  70          HH12      ARG  70 -15.360  -0.280  -8.548
  570   HH21  ARG  70          HH21      ARG  70 -14.890   2.377  -6.303
  571   HH22  ARG  70          HH22      ARG  70 -15.202   1.939  -7.961
  572    H    LYS  71           H        LYS  71 -12.568  -1.312   0.367
  573    HA   LYS  71           HA       LYS  71 -13.421  -4.042   0.998
  574    HB2  LYS  71           HB2      LYS  71 -10.685  -3.358  -0.089
  575    HB3  LYS  71           HB3      LYS  71 -11.131  -4.912   0.603
  576    HG2  LYS  71           HG2      LYS  71 -12.651  -5.351  -1.169
  577    HG3  LYS  71           HG3      LYS  71 -12.483  -3.708  -1.796
  578    HD2  LYS  71           HD2      LYS  71  -9.967  -4.327  -1.973
  579    HD3  LYS  71           HD3      LYS  71 -10.554  -5.990  -1.906
  580    HE2  LYS  71           HE2      LYS  71 -11.642  -3.958  -3.826
  581    HE3  LYS  71           HE3      LYS  71 -10.244  -4.963  -4.208
  582    HZ1  LYS  71           HZ1      LYS  71 -12.754  -6.217  -3.298
  583    HZ2  LYS  71           HZ2      LYS  71 -11.510  -6.864  -4.262
  584    HZ3  LYS  71           HZ3      LYS  71 -12.585  -5.730  -4.912
  585    H    LEU  72           H        LEU  72 -11.169  -4.857   2.398
  586    HA   LEU  72           HA       LEU  72 -11.186  -4.907   4.743
  587    HB2  LEU  72           HB2      LEU  72  -9.116  -3.376   5.356
  588    HB3  LEU  72           HB3      LEU  72  -8.989  -4.928   4.575
  589    HG   LEU  72           HG       LEU  72  -7.481  -3.234   3.647
  590   HD11  LEU  72          HD11      LEU  72  -7.825  -3.761   1.373
  591   HD12  LEU  72          HD12      LEU  72  -9.537  -4.064   1.647
  592   HD13  LEU  72          HD13      LEU  72  -8.333  -5.149   2.336
  593   HD21  LEU  72          HD21      LEU  72  -9.973  -1.851   2.686
  594   HD22  LEU  72          HD22      LEU  72  -8.310  -1.427   2.267
  595   HD23  LEU  72          HD23      LEU  72  -8.875  -1.254   3.931
  596    H    HIS  73           H        HIS  73 -13.342  -3.580   4.790
  597    HA   HIS  73           HA       HIS  73 -14.580  -2.452   6.324
  598    HB2  HIS  73           HB2      HIS  73 -12.599  -3.210   7.814
  599    HB3  HIS  73           HB3      HIS  73 -12.093  -1.529   7.725
  600    HD1  HIS  73           HD1      HIS  73 -12.482  -1.654  10.375
  601    HD2  HIS  73           HD2      HIS  73 -15.890  -1.859   8.007
  602    HE1  HIS  73           HE1      HIS  73 -14.413  -1.196  11.925
  603    HE2  HIS  73           HE2      HIS  73 -16.467  -1.564  10.510
  604    H    GLY  74           H        GLY  74 -12.214  -0.919   4.438
  605    HA2  GLY  74           HA2      GLY  74 -12.147   1.178   3.492
  606    HA3  GLY  74           HA3      GLY  74 -13.734   1.476   4.185
  607    H    THR  75           H        THR  75 -10.855   0.623   6.015
  608    HA   THR  75           HA       THR  75 -11.086   3.224   7.365
  609    HB   THR  75           HB       THR  75  -9.808   1.974   9.228
  610    HG1  THR  75           HG1      THR  75  -9.451   0.088   7.785
  611   HG21  THR  75          HG21      THR  75 -12.129   2.697   9.429
  612   HG22  THR  75          HG22      THR  75 -11.902   1.112  10.170
  613   HG23  THR  75          HG23      THR  75 -12.664   1.244   8.585
  614    H    LEU  76           H        LEU  76  -9.469   4.615   7.121
  615    HA   LEU  76           HA       LEU  76  -6.763   3.654   6.674
  616    HB2  LEU  76           HB2      LEU  76  -8.187   5.695   4.962
  617    HB3  LEU  76           HB3      LEU  76  -6.474   5.351   4.887
  618    HG   LEU  76           HG       LEU  76  -8.545   3.240   4.350
  619   HD11  LEU  76          HD11      LEU  76  -7.222   5.107   2.384
  620   HD12  LEU  76          HD12      LEU  76  -8.937   5.072   2.797
  621   HD13  LEU  76          HD13      LEU  76  -8.202   3.701   1.964
  622   HD21  LEU  76          HD21      LEU  76  -6.303   2.453   4.862
  623   HD22  LEU  76          HD22      LEU  76  -5.627   3.530   3.641
  624   HD23  LEU  76          HD23      LEU  76  -6.669   2.191   3.157
  625    HA   PRO  77           HA       PRO  77  -5.346   6.967   9.355
  626    HB2  PRO  77           HB2      PRO  77  -3.831   7.494   6.893
  627    HB3  PRO  77           HB3      PRO  77  -3.246   7.551   8.555
  628    HG2  PRO  77           HG2      PRO  77  -2.679   5.454   7.084
  629    HG3  PRO  77           HG3      PRO  77  -3.290   5.197   8.732
  630    HD2  PRO  77           HD2      PRO  77  -4.696   4.874   6.121
  631    HD3  PRO  77           HD3      PRO  77  -4.879   3.952   7.629
  632    H    LYS  78           H        LYS  78  -5.938   9.084   9.672
  633    HA   LYS  78           HA       LYS  78  -7.408  10.420   7.567
  634    HB2  LYS  78           HB2      LYS  78  -6.728  11.321  10.367
  635    HB3  LYS  78           HB3      LYS  78  -7.770  12.196   9.253
  636    HG2  LYS  78           HG2      LYS  78  -9.238  10.158   9.192
  637    HG3  LYS  78           HG3      LYS  78  -8.266   9.516  10.520
  638    HD2  LYS  78           HD2      LYS  78  -8.824  11.477  11.869
  639    HD3  LYS  78           HD3      LYS  78  -9.793  12.114  10.539
  640    HE2  LYS  78           HE2      LYS  78 -11.275  11.087  12.104
  641    HE3  LYS  78           HE3      LYS  78 -11.198  10.059  10.675
  642    HZ1  LYS  78           HZ1      LYS  78  -9.768   9.622  13.241
  643    HZ2  LYS  78           HZ2      LYS  78  -9.590   8.653  11.858
  644    HZ3  LYS  78           HZ3      LYS  78 -11.086   8.728  12.656
  645    H    LEU  79           H        LEU  79  -5.883  10.853   5.997
  646    HA   LEU  79           HA       LEU  79  -4.114  13.086   6.603
  647    HB2  LEU  79           HB2      LEU  79  -2.315  11.944   5.203
  648    HB3  LEU  79           HB3      LEU  79  -2.542  11.405   6.852
  649    HG   LEU  79           HG       LEU  79  -4.000   9.539   5.848
  650   HD11  LEU  79          HD11      LEU  79  -4.235  10.461   3.606
  651   HD12  LEU  79          HD12      LEU  79  -3.440   8.887   3.564
  652   HD13  LEU  79          HD13      LEU  79  -2.491  10.361   3.371
  653   HD21  LEU  79          HD21      LEU  79  -2.045   8.152   5.478
  654   HD22  LEU  79          HD22      LEU  79  -1.812   9.221   6.863
  655   HD23  LEU  79          HD23      LEU  79  -1.038   9.594   5.323
  656    H    ASN  80           H        ASN  80  -6.602  12.738   5.168
  657    HA   ASN  80           HA       ASN  80  -7.665  13.264   3.268
  658    HB2  ASN  80           HB2      ASN  80  -6.868  15.261   2.027
  659    HB3  ASN  80           HB3      ASN  80  -6.972  15.504   3.760
  660   HD21  ASN  80          HD21      ASN  80  -4.866  15.237   1.021
  661   HD22  ASN  80          HD22      ASN  80  -3.453  15.873   1.789
  662    H    PHE  81           H        PHE  81  -7.289  11.164   2.571
  663    HA   PHE  81           HA       PHE  81  -5.023  10.666   0.846
  664    HB2  PHE  81           HB2      PHE  81  -6.099   8.324   0.821
  665    HB3  PHE  81           HB3      PHE  81  -5.364   8.893   2.303
  666    HD1  PHE  81           HD1      PHE  81  -8.655   8.638   0.577
  667    HD2  PHE  81           HD2      PHE  81  -6.551   8.843   4.268
  668    HE1  PHE  81           HE1      PHE  81 -10.747   8.177   1.789
  669    HE2  PHE  81           HE2      PHE  81  -8.637   8.386   5.487
  670    HZ   PHE  81           HZ       PHE  81 -10.739   8.048   4.248
  671    H    GLY  82           H        GLY  82  -7.640  12.268   0.199
  672    HA2  GLY  82           HA2      GLY  82  -8.562  10.939  -2.186
  673    HA3  GLY  82           HA3      GLY  82  -8.959  12.574  -1.676
  674    H    MET  83           H        MET  83  -5.775  12.535  -1.408
  675    HA   MET  83           HA       MET  83  -5.329  14.063  -3.775
  676    HB2  MET  83           HB2      MET  83  -3.018  14.253  -2.950
  677    HB3  MET  83           HB3      MET  83  -4.190  14.609  -1.689
  678    HG2  MET  83           HG2      MET  83  -3.879  12.385  -0.755
  679    HG3  MET  83           HG3      MET  83  -2.734  12.003  -2.031
  680    HE1  MET  83           HE1      MET  83  -1.987  11.509   0.940
  681    HE2  MET  83           HE2      MET  83  -0.367  12.205   1.035
  682    HE3  MET  83           HE3      MET  83  -0.848  11.271  -0.385
  683    H    LEU  84           H        LEU  84  -5.388  10.770  -3.302
  684    HA   LEU  84           HA       LEU  84  -3.498  10.312  -5.516
  685    HB2  LEU  84           HB2      LEU  84  -3.986   8.680  -3.038
  686    HB3  LEU  84           HB3      LEU  84  -3.178   8.026  -4.451
  687    HG   LEU  84           HG       LEU  84  -2.186  10.491  -3.046
  688   HD11  LEU  84          HD11      LEU  84  -1.384   7.636  -2.548
  689   HD12  LEU  84          HD12      LEU  84  -2.270   8.673  -1.429
  690   HD13  LEU  84          HD13      LEU  84  -0.607   9.066  -1.868
  691   HD21  LEU  84          HD21      LEU  84  -0.069   9.851  -4.120
  692   HD22  LEU  84          HD22      LEU  84  -1.349  10.169  -5.292
  693   HD23  LEU  84          HD23      LEU  84  -0.897   8.508  -4.910
  694    H    ARG  85           H        ARG  85  -6.457  10.725  -5.469
  695    HA   ARG  85           HA       ARG  85  -7.501   8.095  -6.112
  696    HB2  ARG  85           HB2      ARG  85  -8.837  10.799  -6.131
  697    HB3  ARG  85           HB3      ARG  85  -9.650   9.270  -6.439
  698    HG2  ARG  85           HG2      ARG  85  -8.331  10.145  -3.884
  699    HG3  ARG  85           HG3      ARG  85 -10.058   9.923  -4.175
  700    HD2  ARG  85           HD2      ARG  85  -9.695   7.536  -4.540
  701    HD3  ARG  85           HD3      ARG  85  -7.966   7.750  -4.273
  702    HE   ARG  85           HE       ARG  85  -8.726   8.588  -1.979
  703   HH11  ARG  85          HH11      ARG  85 -10.371   6.108  -3.831
  704   HH12  ARG  85          HH12      ARG  85 -11.001   5.313  -2.418
  705   HH21  ARG  85          HH21      ARG  85  -9.565   7.532  -0.136
  706   HH22  ARG  85          HH22      ARG  85 -10.590   6.143  -0.332
  707    H    LYS  86           H        LYS  86  -5.958   7.858  -7.862
  708    HA   LYS  86           HA       LYS  86  -5.511   7.630 -10.063
  709    HB2  LYS  86           HB2      LYS  86  -8.010   7.305 -10.204
  710    HB3  LYS  86           HB3      LYS  86  -8.137   9.003 -10.635
  711    HG2  LYS  86           HG2      LYS  86  -6.973   8.674 -12.669
  712    HG3  LYS  86           HG3      LYS  86  -6.463   7.053 -12.193
  713    HD2  LYS  86           HD2      LYS  86  -9.331   7.878 -12.623
  714    HD3  LYS  86           HD3      LYS  86  -8.331   7.089 -13.843
  715    HE2  LYS  86           HE2      LYS  86  -8.055   5.154 -12.394
  716    HE3  LYS  86           HE3      LYS  86  -8.990   5.947 -11.127
  717    HZ1  LYS  86           HZ1      LYS  86 -10.023   5.202 -13.810
  718    HZ2  LYS  86           HZ2      LYS  86 -10.919   5.924 -12.567
  719    HZ3  LYS  86           HZ3      LYS  86 -10.318   4.351 -12.377
  720    H    MET  87           H        MET  87  -5.221  10.249  -8.416
  721    HA   MET  87           HA       MET  87  -4.649  12.198 -10.429
  722    HB2  MET  87           HB2      MET  87  -3.732  11.888  -7.572
  723    HB3  MET  87           HB3      MET  87  -3.130  13.175  -8.605
  724    HG2  MET  87           HG2      MET  87  -4.853  14.134  -7.352
  725    HG3  MET  87           HG3      MET  87  -5.549  13.844  -8.943
  726    HE1  MET  87           HE1      MET  87  -7.999  14.136  -7.979
  727    HE2  MET  87           HE2      MET  87  -7.329  14.458  -6.380
  728    HE3  MET  87           HE3      MET  87  -8.607  13.260  -6.575
  729    H    GLY  88           H        GLY  88  -3.304   9.277  -9.616
  730    HA2  GLY  88           HA2      GLY  88  -1.196   9.598 -11.524
  731    HA3  GLY  88           HA3      GLY  88  -0.602   9.391  -9.877
  Start of MODEL   25
    1    H1   PHE   1           HT1      PHE   1  10.894 -10.481  -0.282
    2    H2   PHE   1           HT2      PHE   1  10.766 -11.748   0.838
    3    H3   PHE   1           HT3      PHE   1  12.235 -11.472   0.032
    4    HA   PHE   1           HA       PHE   1  12.381 -10.664   2.270
    5    HB2  PHE   1           HB2      PHE   1  13.593  -9.426   0.535
    6    HB3  PHE   1           HB3      PHE   1  12.170  -8.441   0.223
    7    HD1  PHE   1           HD1      PHE   1  14.048  -9.466   3.288
    8    HD2  PHE   1           HD2      PHE   1  12.408  -6.297   0.970
    9    HE1  PHE   1           HE1      PHE   1  14.815  -7.842   4.969
   10    HE2  PHE   1           HE2      PHE   1  13.170  -4.672   2.649
   11    HZ   PHE   1           HZ       PHE   1  14.378  -5.441   4.649
   12    H    LEU   2           H        LEU   2  11.014 -10.558   3.878
   13    HA   LEU   2           HA       LEU   2   8.519  -9.127   3.710
   14    HB2  LEU   2           HB2      LEU   2   8.721 -11.168   5.060
   15    HB3  LEU   2           HB3      LEU   2   9.955 -10.410   6.044
   16    HG   LEU   2           HG       LEU   2   7.270  -9.117   5.935
   17   HD11  LEU   2          HD11      LEU   2   6.780 -11.503   6.227
   18   HD12  LEU   2          HD12      LEU   2   6.445 -10.586   7.695
   19   HD13  LEU   2          HD13      LEU   2   7.909 -11.565   7.581
   20   HD21  LEU   2          HD21      LEU   2   9.097  -8.077   7.188
   21   HD22  LEU   2          HD22      LEU   2   9.295  -9.554   8.131
   22   HD23  LEU   2          HD23      LEU   2   7.809  -8.614   8.266
   23    H    LEU   3           H        LEU   3   8.524  -6.962   3.744
   24    HA   LEU   3           HA       LEU   3  10.616  -5.374   4.742
   25    HB2  LEU   3           HB2      LEU   3   7.761  -4.841   4.012
   26    HB3  LEU   3           HB3      LEU   3   8.766  -3.574   4.675
   27    HG   LEU   3           HG       LEU   3   8.614  -3.479   2.234
   28   HD11  LEU   3          HD11      LEU   3  11.033  -3.334   1.780
   29   HD12  LEU   3          HD12      LEU   3  11.337  -4.150   3.316
   30   HD13  LEU   3          HD13      LEU   3  10.565  -2.563   3.296
   31   HD21  LEU   3          HD21      LEU   3   9.733  -5.146   0.839
   32   HD22  LEU   3          HD22      LEU   3   8.363  -5.831   1.713
   33   HD23  LEU   3          HD23      LEU   3  10.006  -6.144   2.269
   34    HA   PRO   4           HA       PRO   4   9.644  -5.968   9.082
   35    HB2  PRO   4           HB2      PRO   4  11.752  -3.909   9.372
   36    HB3  PRO   4           HB3      PRO   4  11.662  -5.529  10.068
   37    HG2  PRO   4           HG2      PRO   4  13.364  -4.972   8.083
   38    HG3  PRO   4           HG3      PRO   4  12.532  -6.535   8.170
   39    HD2  PRO   4           HD2      PRO   4  11.926  -4.161   6.452
   40    HD3  PRO   4           HD3      PRO   4  11.901  -5.892   6.033
   41    HA   PRO   5           HA       PRO   5   6.754  -2.716   9.721
   42    HB2  PRO   5           HB2      PRO   5   7.446  -3.011  12.601
   43    HB3  PRO   5           HB3      PRO   5   5.870  -3.096  11.807
   44    HG2  PRO   5           HG2      PRO   5   7.076  -5.310  12.649
   45    HG3  PRO   5           HG3      PRO   5   6.193  -5.290  11.112
   46    HD2  PRO   5           HD2      PRO   5   9.140  -5.202  11.608
   47    HD3  PRO   5           HD3      PRO   5   8.234  -6.040  10.332
   48    H    SER   6           H        SER   6   7.293  -0.735   9.162
   49    HA   SER   6           HA       SER   6   8.036   1.403   9.261
   50    HB2  SER   6           HB2      SER   6   8.816   0.734  12.112
   51    HB3  SER   6           HB3      SER   6   8.733   2.357  11.423
   52    HG   SER   6           HG       SER   6   6.796   2.069  12.410
   53    H    THR   7           H        THR   7   9.779  -1.022   8.717
   54    HA   THR   7           HA       THR   7  12.335   0.448   8.686
   55    HB   THR   7           HB       THR   7  12.100  -2.560   8.766
   56    HG1  THR   7           HG1      THR   7  11.895  -0.695  10.825
   57   HG21  THR   7          HG21      THR   7  14.374  -0.688   9.451
   58   HG22  THR   7          HG22      THR   7  14.237  -1.648   7.977
   59   HG23  THR   7          HG23      THR   7  14.424  -2.449   9.539
   60    H    ALA   8           H        ALA   8  10.397   0.697   6.767
   61    HA   ALA   8           HA       ALA   8  10.818  -1.208   4.647
   62    HB1  ALA   8           HB1      ALA   8   8.584  -0.271   5.062
   63    HB2  ALA   8           HB2      ALA   8   9.148   0.045   3.422
   64    HB3  ALA   8           HB3      ALA   8   9.188   1.328   4.630
   65    H    CYS   9           H        CYS   9  12.963  -0.960   4.090
   66    HA   CYS   9           HA       CYS   9  13.537   1.525   2.620
   67    HB2  CYS   9           HB2      CYS   9  15.509  -0.443   3.808
   68    HB3  CYS   9           HB3      CYS   9  15.931   1.001   2.894
   69    H    CYS  10           H        CYS  10  12.373   0.715   0.833
   70    HA   CYS  10           HA       CYS  10  12.831  -1.800  -0.333
   71    HB2  CYS  10           HB2      CYS  10  11.620   0.746  -1.371
   72    HB3  CYS  10           HB3      CYS  10  11.753  -0.696  -2.373
   73    H    THR  11           H        THR  11  14.621  -2.499  -1.241
   74    HA   THR  11           HA       THR  11  16.058  -0.709  -3.064
   75    HB   THR  11           HB       THR  11  17.664  -2.794  -3.076
   76    HG1  THR  11           HG1      THR  11  17.506  -3.561  -0.703
   77   HG21  THR  11          HG21      THR  11  18.884  -1.830  -1.170
   78   HG22  THR  11          HG22      THR  11  17.450  -0.901  -0.730
   79   HG23  THR  11          HG23      THR  11  18.278  -0.580  -2.256
   80    H    GLN  12           H        GLN  12  13.514  -2.561  -3.178
   81    HA   GLN  12           HA       GLN  12  13.909  -3.338  -5.933
   82    HB2  GLN  12           HB2      GLN  12  12.697  -5.587  -5.328
   83    HB3  GLN  12           HB3      GLN  12  14.440  -5.446  -5.189
   84    HG2  GLN  12           HG2      GLN  12  13.582  -6.631  -3.294
   85    HG3  GLN  12           HG3      GLN  12  14.196  -5.069  -2.770
   86   HE21  GLN  12          HE21      GLN  12  12.818  -3.613  -1.874
   87   HE22  GLN  12          HE22      GLN  12  11.167  -3.936  -1.515
   88    H    LEU  13           H        LEU  13  11.944  -3.654  -7.083
   89    HA   LEU  13           HA       LEU  13   9.526  -2.761  -5.676
   90    HB2  LEU  13           HB2      LEU  13  10.495  -1.766  -8.362
   91    HB3  LEU  13           HB3      LEU  13   8.947  -1.368  -7.639
   92    HG   LEU  13           HG       LEU  13  11.587  -0.671  -6.357
   93   HD11  LEU  13          HD11      LEU  13   9.834   1.038  -8.112
   94   HD12  LEU  13          HD12      LEU  13  11.450   0.455  -8.504
   95   HD13  LEU  13          HD13      LEU  13  11.223   1.604  -7.185
   96   HD21  LEU  13          HD21      LEU  13   8.773   0.310  -5.891
   97   HD22  LEU  13          HD22      LEU  13  10.218   0.901  -5.072
   98   HD23  LEU  13          HD23      LEU  13   9.691  -0.764  -4.834
   99    H    TYR  14           H        TYR  14   7.726  -3.885  -6.199
  100    HA   TYR  14           HA       TYR  14   8.064  -6.404  -7.405
  101    HB2  TYR  14           HB2      TYR  14   6.322  -5.527  -5.653
  102    HB3  TYR  14           HB3      TYR  14   5.353  -5.173  -7.078
  103    HD1  TYR  14           HD1      TYR  14   7.042  -7.880  -5.216
  104    HD2  TYR  14           HD2      TYR  14   4.196  -6.904  -8.222
  105    HE1  TYR  14           HE1      TYR  14   6.269 -10.216  -5.232
  106    HE2  TYR  14           HE2      TYR  14   3.418  -9.236  -8.253
  107    HH   TYR  14           HH       TYR  14   4.204 -11.459  -7.658
  108    H    ARG  15           H        ARG  15   6.584  -3.439  -8.571
  109    HA   ARG  15           HA       ARG  15   6.181  -2.621 -10.637
  110    HB2  ARG  15           HB2      ARG  15   7.752  -5.034 -11.510
  111    HB3  ARG  15           HB3      ARG  15   7.066  -3.891 -12.651
  112    HG2  ARG  15           HG2      ARG  15   9.154  -3.353 -10.561
  113    HG3  ARG  15           HG3      ARG  15   9.353  -3.339 -12.313
  114    HD2  ARG  15           HD2      ARG  15   7.872  -1.380 -10.581
  115    HD3  ARG  15           HD3      ARG  15   9.221  -1.075 -11.673
  116    HE   ARG  15           HE       ARG  15   6.876  -2.069 -13.007
  117   HH11  ARG  15          HH11      ARG  15   8.556   0.817 -11.909
  118   HH12  ARG  15          HH12      ARG  15   7.607   1.880 -12.916
  119   HH21  ARG  15          HH21      ARG  15   5.657  -0.680 -14.305
  120   HH22  ARG  15          HH22      ARG  15   5.976   1.031 -14.284
  121    H    LYS  16           H        LYS  16   5.676  -6.146 -10.653
  122    HA   LYS  16           HA       LYS  16   3.590  -6.144 -12.536
  123    HB2  LYS  16           HB2      LYS  16   4.307  -8.093 -10.353
  124    HB3  LYS  16           HB3      LYS  16   3.035  -8.390 -11.530
  125    HG2  LYS  16           HG2      LYS  16   4.702  -8.196 -13.336
  126    HG3  LYS  16           HG3      LYS  16   5.961  -7.995 -12.112
  127    HD2  LYS  16           HD2      LYS  16   5.532 -10.183 -11.226
  128    HD3  LYS  16           HD3      LYS  16   4.117 -10.367 -12.263
  129    HE2  LYS  16           HE2      LYS  16   6.028 -11.621 -13.128
  130    HE3  LYS  16           HE3      LYS  16   5.533 -10.345 -14.237
  131    HZ1  LYS  16           HZ1      LYS  16   7.776 -10.086 -12.308
  132    HZ2  LYS  16           HZ2      LYS  16   7.360  -9.001 -13.543
  133    HZ3  LYS  16           HZ3      LYS  16   7.965 -10.535 -13.932
  134    HA   PRO  17           HA       PRO  17   0.126  -4.539 -10.267
  135    HB2  PRO  17           HB2      PRO  17  -1.455  -6.355 -11.995
  136    HB3  PRO  17           HB3      PRO  17  -1.574  -4.603 -11.797
  137    HG2  PRO  17           HG2      PRO  17  -0.529  -5.659 -14.012
  138    HG3  PRO  17           HG3      PRO  17   0.142  -4.182 -13.292
  139    HD2  PRO  17           HD2      PRO  17   1.165  -6.993 -13.146
  140    HD3  PRO  17           HD3      PRO  17   2.066  -5.477 -13.361
  141    H    LEU  18           H        LEU  18  -0.565  -5.187  -8.343
  142    HA   LEU  18           HA       LEU  18  -0.404  -7.923  -7.540
  143    HB2  LEU  18           HB2      LEU  18  -1.554  -5.525  -6.114
  144    HB3  LEU  18           HB3      LEU  18  -1.356  -7.109  -5.394
  145    HG   LEU  18           HG       LEU  18   0.837  -5.254  -6.310
  146   HD11  LEU  18          HD11      LEU  18   1.461  -5.255  -3.952
  147   HD12  LEU  18          HD12      LEU  18   0.088  -6.298  -3.584
  148   HD13  LEU  18          HD13      LEU  18  -0.184  -4.662  -4.180
  149   HD21  LEU  18          HD21      LEU  18   1.034  -8.049  -5.195
  150   HD22  LEU  18          HD22      LEU  18   2.390  -6.952  -5.463
  151   HD23  LEU  18          HD23      LEU  18   1.451  -7.544  -6.834
  152    H    SER  19           H        SER  19  -2.114  -9.227  -6.766
  153    HA   SER  19           HA       SER  19  -4.479  -9.022  -8.390
  154    HB2  SER  19           HB2      SER  19  -3.759 -11.087  -6.302
  155    HB3  SER  19           HB3      SER  19  -4.995 -11.237  -7.552
  156    HG   SER  19           HG       SER  19  -3.291 -11.025  -9.112
  157    H    ASP  20           H        ASP  20  -6.544  -8.670  -7.719
  158    HA   ASP  20           HA       ASP  20  -6.925  -6.967  -5.500
  159    HB2  ASP  20           HB2      ASP  20  -8.332  -7.330  -7.705
  160    HB3  ASP  20           HB3      ASP  20  -9.192  -8.492  -6.698
  161    H    LYS  21           H        LYS  21  -7.197 -10.399  -5.915
  162    HA   LYS  21           HA       LYS  21  -8.779 -11.067  -3.703
  163    HB2  LYS  21           HB2      LYS  21  -6.603 -12.600  -5.121
  164    HB3  LYS  21           HB3      LYS  21  -7.613 -13.296  -3.862
  165    HG2  LYS  21           HG2      LYS  21  -9.590 -12.947  -5.196
  166    HG3  LYS  21           HG3      LYS  21  -8.640 -12.135  -6.443
  167    HD2  LYS  21           HD2      LYS  21  -7.443 -14.162  -6.926
  168    HD3  LYS  21           HD3      LYS  21  -8.206 -14.986  -5.564
  169    HE2  LYS  21           HE2      LYS  21  -9.712 -13.870  -7.926
  170    HE3  LYS  21           HE3      LYS  21  -9.186 -15.548  -7.792
  171    HZ1  LYS  21           HZ1      LYS  21 -11.042 -14.154  -5.933
  172    HZ2  LYS  21           HZ2      LYS  21 -10.518 -15.759  -5.774
  173    HZ3  LYS  21           HZ3      LYS  21 -11.479 -15.307  -7.095
  174    H    LEU  22           H        LEU  22  -5.236 -10.777  -3.990
  175    HA   LEU  22           HA       LEU  22  -4.845 -11.306  -1.215
  176    HB2  LEU  22           HB2      LEU  22  -2.526 -10.707  -1.563
  177    HB3  LEU  22           HB3      LEU  22  -3.078 -11.813  -2.800
  178    HG   LEU  22           HG       LEU  22  -3.411  -9.596  -4.191
  179   HD11  LEU  22          HD11      LEU  22  -1.686  -7.941  -3.690
  180   HD12  LEU  22          HD12      LEU  22  -1.280  -8.809  -2.209
  181   HD13  LEU  22          HD13      LEU  22  -2.867  -8.059  -2.385
  182   HD21  LEU  22          HD21      LEU  22  -0.735 -10.874  -3.651
  183   HD22  LEU  22          HD22      LEU  22  -1.133  -9.886  -5.057
  184   HD23  LEU  22          HD23      LEU  22  -1.948 -11.429  -4.805
  185    H    LEU  23           H        LEU  23  -5.583  -8.516  -3.098
  186    HA   LEU  23           HA       LEU  23  -4.663  -6.524  -1.361
  187    HB2  LEU  23           HB2      LEU  23  -7.000  -6.465  -3.268
  188    HB3  LEU  23           HB3      LEU  23  -6.393  -5.062  -2.408
  189    HG   LEU  23           HG       LEU  23  -4.875  -6.678  -4.464
  190   HD11  LEU  23          HD11      LEU  23  -5.916  -3.844  -4.515
  191   HD12  LEU  23          HD12      LEU  23  -6.578  -5.204  -5.421
  192   HD13  LEU  23          HD13      LEU  23  -4.954  -4.616  -5.775
  193   HD21  LEU  23          HD21      LEU  23  -4.005  -4.242  -2.907
  194   HD22  LEU  23          HD22      LEU  23  -3.096  -5.038  -4.191
  195   HD23  LEU  23          HD23      LEU  23  -3.399  -5.881  -2.673
  196    H    ARG  24           H        ARG  24  -7.716  -8.386  -1.304
  197    HA   ARG  24           HA       ARG  24  -8.914  -6.834   0.758
  198    HB2  ARG  24           HB2      ARG  24 -10.466  -8.607   1.079
  199    HB3  ARG  24           HB3      ARG  24 -10.114  -8.539  -0.641
  200    HG2  ARG  24           HG2      ARG  24  -8.761 -10.473  -0.531
  201    HG3  ARG  24           HG3      ARG  24  -8.766 -10.457   1.236
  202    HD2  ARG  24           HD2      ARG  24 -11.148 -10.930  -0.556
  203    HD3  ARG  24           HD3      ARG  24 -10.307 -12.149   0.402
  204    HE   ARG  24           HE       ARG  24 -11.073 -10.248   2.214
  205   HH11  ARG  24          HH11      ARG  24 -12.754 -12.289  -0.096
  206   HH12  ARG  24          HH12      ARG  24 -14.241 -12.280   0.804
  207   HH21  ARG  24          HH21      ARG  24 -13.022 -10.271   3.392
  208   HH22  ARG  24          HH22      ARG  24 -14.384 -11.161   2.781
  209    H    LYS  25           H        LYS  25  -6.145  -8.496   0.885
  210    HA   LYS  25           HA       LYS  25  -6.412  -9.338   3.688
  211    HB2  LYS  25           HB2      LYS  25  -4.484 -10.225   1.534
  212    HB3  LYS  25           HB3      LYS  25  -4.397 -10.743   3.214
  213    HG2  LYS  25           HG2      LYS  25  -6.371 -11.973   3.066
  214    HG3  LYS  25           HG3      LYS  25  -6.891 -11.131   1.605
  215    HD2  LYS  25           HD2      LYS  25  -6.134 -13.436   1.162
  216    HD3  LYS  25           HD3      LYS  25  -5.171 -12.230   0.312
  217    HE2  LYS  25           HE2      LYS  25  -3.384 -12.449   1.872
  218    HE3  LYS  25           HE3      LYS  25  -4.360 -13.466   2.936
  219    HZ1  LYS  25           HZ1      LYS  25  -4.427 -15.135   1.148
  220    HZ2  LYS  25           HZ2      LYS  25  -2.848 -14.819   1.676
  221    HZ3  LYS  25           HZ3      LYS  25  -3.400 -14.164   0.214
  222    H    VAL  26           H        VAL  26  -5.373  -6.822   1.889
  223    HA   VAL  26           HA       VAL  26  -2.938  -6.191   3.313
  224    HB   VAL  26           HB       VAL  26  -4.708  -4.377   1.645
  225   HG11  VAL  26          HG11      VAL  26  -3.204  -3.164   3.148
  226   HG12  VAL  26          HG12      VAL  26  -2.743  -2.948   1.458
  227   HG13  VAL  26          HG13      VAL  26  -1.829  -4.051   2.488
  228   HG21  VAL  26          HG21      VAL  26  -2.250  -5.918   0.828
  229   HG22  VAL  26          HG22      VAL  26  -3.136  -4.774  -0.180
  230   HG23  VAL  26          HG23      VAL  26  -3.905  -6.274   0.337
  231    H    ILE  27           H        ILE  27  -2.764  -4.684   5.039
  232    HA   ILE  27           HA       ILE  27  -5.343  -4.204   6.356
  233    HB   ILE  27           HB       ILE  27  -3.989  -3.866   8.453
  234   HG12  ILE  27          HG12      ILE  27  -1.817  -4.964   6.663
  235   HG13  ILE  27          HG13      ILE  27  -1.789  -3.470   7.592
  236   HG21  ILE  27          HG21      ILE  27  -5.259  -5.887   8.008
  237   HG22  ILE  27          HG22      ILE  27  -3.760  -6.268   8.855
  238   HG23  ILE  27          HG23      ILE  27  -3.894  -6.569   7.122
  239   HD11  ILE  27          HD11      ILE  27  -0.392  -5.132   8.637
  240   HD12  ILE  27          HD12      ILE  27  -1.737  -6.268   8.701
  241   HD13  ILE  27          HD13      ILE  27  -1.782  -4.793   9.666
  242    H    GLN  28           H        GLN  28  -2.352  -2.592   5.391
  243    HA   GLN  28           HA       GLN  28  -3.758  -0.065   5.322
  244    HB2  GLN  28           HB2      GLN  28  -1.528  -0.586   7.266
  245    HB3  GLN  28           HB3      GLN  28  -1.768   1.022   6.601
  246    HG2  GLN  28           HG2      GLN  28  -3.824  -0.549   8.142
  247    HG3  GLN  28           HG3      GLN  28  -2.816   0.739   8.799
  248   HE21  GLN  28          HE21      GLN  28  -5.503  -0.038   6.743
  249   HE22  GLN  28          HE22      GLN  28  -6.100   1.578   6.578
  250    H    VAL  29           H        VAL  29  -2.579   1.593   4.182
  251    HA   VAL  29           HA       VAL  29  -0.475   0.540   2.420
  252    HB   VAL  29           HB       VAL  29  -1.928   3.180   2.156
  253   HG11  VAL  29          HG11      VAL  29  -0.323   1.557   0.184
  254   HG12  VAL  29          HG12      VAL  29   0.163   3.075   0.937
  255   HG13  VAL  29          HG13      VAL  29  -1.192   3.045  -0.193
  256   HG21  VAL  29          HG21      VAL  29  -3.580   1.405   2.067
  257   HG22  VAL  29          HG22      VAL  29  -2.624   0.549   0.855
  258   HG23  VAL  29          HG23      VAL  29  -3.347   2.111   0.467
  259    H    GLU  30           H        GLU  30   1.606   1.211   2.699
  260    HA   GLU  30           HA       GLU  30   2.011   3.447   4.571
  261    HB2  GLU  30           HB2      GLU  30   4.103   2.292   5.287
  262    HB3  GLU  30           HB3      GLU  30   2.629   1.429   5.694
  263    HG2  GLU  30           HG2      GLU  30   3.015   0.061   3.600
  264    HG3  GLU  30           HG3      GLU  30   4.622   0.787   3.549
  265    H    LEU  31           H        LEU  31   3.100   5.110   3.854
  266    HA   LEU  31           HA       LEU  31   4.373   4.965   1.240
  267    HB2  LEU  31           HB2      LEU  31   2.921   6.827   1.556
  268    HB3  LEU  31           HB3      LEU  31   3.657   7.231   3.093
  269    HG   LEU  31           HG       LEU  31   5.732   7.882   1.896
  270   HD11  LEU  31          HD11      LEU  31   4.078   7.426  -0.580
  271   HD12  LEU  31          HD12      LEU  31   5.488   6.490  -0.082
  272   HD13  LEU  31          HD13      LEU  31   5.666   8.190  -0.522
  273   HD21  LEU  31          HD21      LEU  31   4.868   9.965   0.997
  274   HD22  LEU  31          HD22      LEU  31   4.035   9.542   2.494
  275   HD23  LEU  31          HD23      LEU  31   3.243   9.284   0.939
  276    H    GLN  32           H        GLN  32   6.451   4.446   1.106
  277    HA   GLN  32           HA       GLN  32   8.283   4.877   3.287
  278    HB2  GLN  32           HB2      GLN  32   8.618   2.949   1.849
  279    HB3  GLN  32           HB3      GLN  32   8.756   3.993   0.438
  280    HG2  GLN  32           HG2      GLN  32  10.779   4.989   1.372
  281    HG3  GLN  32           HG3      GLN  32  10.641   3.943   2.783
  282   HE21  GLN  32          HE21      GLN  32  12.733   4.233   0.745
  283   HE22  GLN  32          HE22      GLN  32  12.977   2.652   0.107
  284    H    GLU  33           H        GLU  33   8.796   6.911   3.748
  285    HA   GLU  33           HA       GLU  33   8.768   9.043   1.903
  286    HB2  GLU  33           HB2      GLU  33  10.169   8.834   4.576
  287    HB3  GLU  33           HB3      GLU  33   9.905  10.325   3.684
  288    HG2  GLU  33           HG2      GLU  33   7.493  10.015   3.879
  289    HG3  GLU  33           HG3      GLU  33   7.761   8.522   4.778
  290    H    ALA  34           H        ALA  34  10.539  10.247   1.058
  291    HA   ALA  34           HA       ALA  34  12.443   8.405  -0.090
  292    HB1  ALA  34           HB1      ALA  34  12.126  11.353  -0.603
  293    HB2  ALA  34           HB2      ALA  34  11.201  10.092  -1.414
  294    HB3  ALA  34           HB3      ALA  34  12.950  10.174  -1.625
  295    H    ASP  35           H        ASP  35  12.793   9.185   2.756
  296    HA   ASP  35           HA       ASP  35  15.541   9.549   2.913
  297    HB2  ASP  35           HB2      ASP  35  15.144  11.786   1.974
  298    HB3  ASP  35           HB3      ASP  35  14.020  12.141   3.280
  299    H    GLY  36           H        GLY  36  12.430  10.268   4.367
  300    HA2  GLY  36           HA2      GLY  36  13.033  10.660   7.010
  301    HA3  GLY  36           HA3      GLY  36  11.574   9.859   6.457
  302    H    ASP  37           H        ASP  37  12.607   7.490   5.446
  303    HA   ASP  37           HA       ASP  37  13.816   6.289   7.847
  304    HB2  ASP  37           HB2      ASP  37  11.538   5.454   7.047
  305    HB3  ASP  37           HB3      ASP  37  12.380   4.788   5.651
  306    H    CYS  38           H        CYS  38  13.675   5.597   4.370
  307    HA   CYS  38           HA       CYS  38  16.590   5.829   4.257
  308    HB2  CYS  38           HB2      CYS  38  14.918   3.565   3.168
  309    HB3  CYS  38           HB3      CYS  38  16.532   3.916   2.562
  310    H    HIS  39           H        HIS  39  17.375   6.602   2.234
  311    HA   HIS  39           HA       HIS  39  15.514   8.446   1.099
  312    HB2  HIS  39           HB2      HIS  39  17.484   9.075  -0.409
  313    HB3  HIS  39           HB3      HIS  39  17.627   9.373   1.315
  314    HD1  HIS  39           HD1      HIS  39  19.809   8.763   2.226
  315    HD2  HIS  39           HD2      HIS  39  18.842   6.424  -1.077
  316    HE1  HIS  39           HE1      HIS  39  21.819   7.301   1.812
  317    HE2  HIS  39           HE2      HIS  39  21.259   5.974  -0.261
  318    H    LEU  40           H        LEU  40  13.973   7.053   0.221
  319    HA   LEU  40           HA       LEU  40  14.156   6.946  -2.594
  320    HB2  LEU  40           HB2      LEU  40  15.421   4.842  -1.917
  321    HB3  LEU  40           HB3      LEU  40  13.911   4.245  -1.260
  322    HG   LEU  40           HG       LEU  40  14.056   5.066  -4.145
  323   HD11  LEU  40          HD11      LEU  40  14.674   2.778  -4.731
  324   HD12  LEU  40          HD12      LEU  40  14.888   2.395  -3.024
  325   HD13  LEU  40          HD13      LEU  40  15.946   3.569  -3.803
  326   HD21  LEU  40          HD21      LEU  40  12.338   3.318  -4.366
  327   HD22  LEU  40          HD22      LEU  40  11.862   4.574  -3.223
  328   HD23  LEU  40          HD23      LEU  40  12.438   3.016  -2.631
  329    H    GLN  41           H        GLN  41  12.136   7.438  -3.237
  330    HA   GLN  41           HA       GLN  41   9.996   7.261  -1.278
  331    HB2  GLN  41           HB2      GLN  41  10.395   9.307  -2.668
  332    HB3  GLN  41           HB3      GLN  41   9.908   8.385  -4.080
  333    HG2  GLN  41           HG2      GLN  41   7.691   8.203  -3.335
  334    HG3  GLN  41           HG3      GLN  41   8.115   8.716  -1.701
  335   HE21  GLN  41          HE21      GLN  41   7.567   9.747  -4.985
  336   HE22  GLN  41          HE22      GLN  41   7.419  11.438  -4.629
  337    H    ALA  42           H        ALA  42   8.733   5.565  -1.137
  338    HA   ALA  42           HA       ALA  42   7.970   4.111  -3.569
  339    HB1  ALA  42           HB1      ALA  42   8.989   2.813  -1.044
  340    HB2  ALA  42           HB2      ALA  42   9.822   2.863  -2.600
  341    HB3  ALA  42           HB3      ALA  42   8.313   1.963  -2.434
  342    H    PHE  43           H        PHE  43   6.012   2.900  -3.368
  343    HA   PHE  43           HA       PHE  43   4.370   3.656  -1.043
  344    HB2  PHE  43           HB2      PHE  43   3.843   3.870  -3.886
  345    HB3  PHE  43           HB3      PHE  43   2.630   2.871  -3.088
  346    HD1  PHE  43           HD2      PHE  43   1.575   3.846  -0.946
  347    HD2  PHE  43           HD1      PHE  43   3.636   6.177  -3.846
  348    HE1  PHE  43           HE2      PHE  43   0.432   5.862  -0.127
  349    HE2  PHE  43           HE1      PHE  43   2.500   8.202  -3.030
  350    HZ   PHE  43           HZ       PHE  43   0.894   8.046  -1.169
  351    H    VAL  44           H        VAL  44   4.197   1.979   0.261
  352    HA   VAL  44           HA       VAL  44   4.415  -0.702  -0.922
  353    HB   VAL  44           HB       VAL  44   5.219   0.238   1.836
  354   HG11  VAL  44          HG11      VAL  44   4.527  -2.112   1.810
  355   HG12  VAL  44          HG12      VAL  44   6.262  -1.948   2.084
  356   HG13  VAL  44          HG13      VAL  44   5.659  -2.429   0.496
  357   HG21  VAL  44          HG21      VAL  44   6.651   1.155   0.119
  358   HG22  VAL  44          HG22      VAL  44   6.848  -0.437  -0.610
  359   HG23  VAL  44          HG23      VAL  44   7.516  -0.113   0.992
  360    H    LEU  45           H        LEU  45   2.966  -2.261  -0.391
  361    HA   LEU  45           HA       LEU  45   0.624  -1.377   1.136
  362    HB2  LEU  45           HB2      LEU  45   0.979  -3.692  -0.769
  363    HB3  LEU  45           HB3      LEU  45  -0.507  -3.325   0.090
  364    HG   LEU  45           HG       LEU  45   0.831  -1.607  -1.996
  365   HD11  LEU  45          HD11      LEU  45  -1.207  -2.023  -3.275
  366   HD12  LEU  45          HD12      LEU  45  -1.789  -3.094  -2.001
  367   HD13  LEU  45          HD13      LEU  45  -0.347  -3.520  -2.919
  368   HD21  LEU  45          HD21      LEU  45  -0.155  -0.238  -0.231
  369   HD22  LEU  45          HD22      LEU  45  -1.683  -1.098  -0.416
  370   HD23  LEU  45          HD23      LEU  45  -1.065  -0.106  -1.736
  371    H    HIS  46           H        HIS  46   0.522  -1.967   3.162
  372    HA   HIS  46           HA       HIS  46   2.238  -4.103   4.125
  373    HB2  HIS  46           HB2      HIS  46   1.954  -1.789   5.224
  374    HB3  HIS  46           HB3      HIS  46   0.403  -2.386   5.797
  375    HD1  HIS  46           HD1      HIS  46   3.912  -2.248   6.655
  376    HD2  HIS  46           HD2      HIS  46   0.724  -4.778   7.512
  377    HE1  HIS  46           HE1      HIS  46   4.605  -3.547   8.701
  378    HE2  HIS  46           HE2      HIS  46   2.634  -5.027   9.244
  379    H    LEU  47           H        LEU  47   1.331  -6.058   3.666
  380    HA   LEU  47           HA       LEU  47  -1.435  -6.535   4.449
  381    HB2  LEU  47           HB2      LEU  47   0.643  -8.397   3.282
  382    HB3  LEU  47           HB3      LEU  47  -0.981  -8.887   3.714
  383    HG   LEU  47           HG       LEU  47  -1.765  -7.097   2.037
  384   HD11  LEU  47          HD11      LEU  47  -0.183  -6.638   0.224
  385   HD12  LEU  47          HD12      LEU  47   1.096  -7.415   1.155
  386   HD13  LEU  47          HD13      LEU  47   0.344  -5.939   1.754
  387   HD21  LEU  47          HD21      LEU  47  -1.982  -9.492   1.667
  388   HD22  LEU  47          HD22      LEU  47  -0.321  -9.563   1.079
  389   HD23  LEU  47          HD23      LEU  47  -1.539  -8.664   0.174
  390    H    ALA  48           H        ALA  48  -1.819  -8.515   5.854
  391    HA   ALA  48           HA       ALA  48  -0.515  -7.962   8.340
  392    HB1  ALA  48           HB1      ALA  48  -2.503 -10.133   7.673
  393    HB2  ALA  48           HB2      ALA  48  -2.900  -8.512   8.239
  394    HB3  ALA  48           HB3      ALA  48  -2.025  -9.623   9.292
  395    H    GLN  49           H        GLN  49   0.177  -9.989   5.773
  396    HA   GLN  49           HA       GLN  49   1.626 -11.914   7.431
  397    HB2  GLN  49           HB2      GLN  49   1.210 -12.066   4.447
  398    HB3  GLN  49           HB3      GLN  49   1.655 -13.364   5.542
  399    HG2  GLN  49           HG2      GLN  49  -0.571 -13.809   5.133
  400    HG3  GLN  49           HG3      GLN  49  -0.635 -12.911   6.648
  401   HE21  GLN  49          HE21      GLN  49  -0.101 -11.485   3.463
  402   HE22  GLN  49          HE22      GLN  49  -1.595 -10.621   3.406
  403    H    ARG  50           H        ARG  50   2.012  -9.532   4.896
  404    HA   ARG  50           HA       ARG  50   4.632  -8.838   5.619
  405    HB2  ARG  50           HB2      ARG  50   5.718  -9.581   3.427
  406    HB3  ARG  50           HB3      ARG  50   5.450 -10.824   4.639
  407    HG2  ARG  50           HG2      ARG  50   4.834 -11.807   2.611
  408    HG3  ARG  50           HG3      ARG  50   3.311 -11.379   3.380
  409    HD2  ARG  50           HD2      ARG  50   3.108  -9.418   1.995
  410    HD3  ARG  50           HD3      ARG  50   4.697  -9.717   1.281
  411    HE   ARG  50           HE       ARG  50   2.283 -11.362   0.858
  412   HH11  ARG  50          HH11      ARG  50   5.506 -10.348  -0.110
  413   HH12  ARG  50          HH12      ARG  50   5.411 -11.127  -1.659
  414   HH21  ARG  50          HH21      ARG  50   2.173 -12.374  -1.197
  415   HH22  ARG  50          HH22      ARG  50   3.525 -12.262  -2.287
  416    H    SER  51           H        SER  51   5.500  -7.151   4.133
  417    HA   SER  51           HA       SER  51   3.298  -5.787   2.772
  418    HB2  SER  51           HB2      SER  51   6.018  -4.747   3.585
  419    HB3  SER  51           HB3      SER  51   4.734  -3.792   2.856
  420    HG   SER  51           HG       SER  51   4.359  -3.434   4.914
  421    H    ILE  52           H        ILE  52   3.339  -5.273   0.661
  422    HA   ILE  52           HA       ILE  52   5.554  -6.351  -0.954
  423    HB   ILE  52           HB       ILE  52   2.756  -5.611  -1.848
  424   HG12  ILE  52          HG12      ILE  52   3.964  -8.350  -1.385
  425   HG13  ILE  52          HG13      ILE  52   2.807  -7.567  -0.315
  426   HG21  ILE  52          HG21      ILE  52   4.997  -7.039  -3.280
  427   HG22  ILE  52          HG22      ILE  52   4.394  -5.419  -3.630
  428   HG23  ILE  52          HG23      ILE  52   3.362  -6.822  -3.906
  429   HD11  ILE  52          HD11      ILE  52   2.312  -8.407  -3.162
  430   HD12  ILE  52          HD12      ILE  52   1.149  -7.587  -2.120
  431   HD13  ILE  52          HD13      ILE  52   1.711  -9.208  -1.711
  432    H    CYS  53           H        CYS  53   6.687  -4.974  -2.310
  433    HA   CYS  53           HA       CYS  53   6.231  -2.142  -1.698
  434    HB2  CYS  53           HB2      CYS  53   8.428  -3.157  -1.108
  435    HB3  CYS  53           HB3      CYS  53   8.706  -3.469  -2.816
  436    H    ILE  54           H        ILE  54   5.572  -0.787  -3.172
  437    HA   ILE  54           HA       ILE  54   5.730  -1.554  -6.005
  438    HB   ILE  54           HB       ILE  54   3.400  -0.448  -4.452
  439   HG12  ILE  54          HG12      ILE  54   3.726  -2.826  -6.289
  440   HG13  ILE  54          HG13      ILE  54   3.554  -2.868  -4.538
  441   HG21  ILE  54          HG21      ILE  54   3.679  -0.503  -7.443
  442   HG22  ILE  54          HG22      ILE  54   3.636   0.935  -6.423
  443   HG23  ILE  54          HG23      ILE  54   2.213  -0.101  -6.547
  444   HD11  ILE  54          HD11      ILE  54   1.485  -3.476  -5.682
  445   HD12  ILE  54          HD12      ILE  54   1.463  -1.900  -6.473
  446   HD13  ILE  54          HD13      ILE  54   1.294  -2.010  -4.721
  447    H    HIS  55           H        HIS  55   6.122   0.089  -7.461
  448    HA   HIS  55           HA       HIS  55   7.356   2.479  -6.560
  449    HB2  HIS  55           HB2      HIS  55   8.001   1.494  -8.689
  450    HB3  HIS  55           HB3      HIS  55   6.349   1.641  -9.297
  451    HD1  HIS  55           HD1      HIS  55   5.673   3.853 -10.324
  452    HD2  HIS  55           HD2      HIS  55   9.412   3.982  -8.515
  453    HE1  HIS  55           HE1      HIS  55   6.619   6.092 -10.918
  454    HE2  HIS  55           HE2      HIS  55   8.814   6.222  -9.677
  455    HA   PRO  56           HA       PRO  56   3.736   5.014  -5.724
  456    HB2  PRO  56           HB2      PRO  56   5.610   7.140  -6.654
  457    HB3  PRO  56           HB3      PRO  56   4.609   7.082  -5.199
  458    HG2  PRO  56           HG2      PRO  56   7.216   6.642  -5.041
  459    HG3  PRO  56           HG3      PRO  56   6.078   5.671  -4.086
  460    HD2  PRO  56           HD2      PRO  56   7.575   4.945  -6.565
  461    HD3  PRO  56           HD3      PRO  56   7.168   3.942  -5.157
  462    H    GLN  57           H        GLN  57   2.105   5.791  -6.955
  463    HA   GLN  57           HA       GLN  57   0.878   6.371  -8.764
  464    HB2  GLN  57           HB2      GLN  57   3.541   7.139  -9.959
  465    HB3  GLN  57           HB3      GLN  57   1.971   7.529 -10.657
  466    HG2  GLN  57           HG2      GLN  57   1.432   8.997  -8.939
  467    HG3  GLN  57           HG3      GLN  57   2.659   8.332  -7.863
  468   HE21  GLN  57          HE21      GLN  57   3.624  10.227  -7.440
  469   HE22  GLN  57          HE22      GLN  57   4.539  11.126  -8.606
  470    H    ASN  58           H        ASN  58   1.454   3.771  -8.361
  471    HA   ASN  58           HA       ASN  58   1.672   2.662 -11.079
  472    HB2  ASN  58           HB2      ASN  58   3.203   1.608  -9.514
  473    HB3  ASN  58           HB3      ASN  58   1.904   1.353  -8.359
  474   HD21  ASN  58          HD21      ASN  58   3.404   0.247 -11.274
  475   HD22  ASN  58          HD22      ASN  58   2.538  -1.243 -11.396
  476    HA   PRO  59           HA       PRO  59  -2.704   2.184 -11.508
  477    HB2  PRO  59           HB2      PRO  59  -1.906  -0.609 -12.237
  478    HB3  PRO  59           HB3      PRO  59  -3.035   0.483 -13.047
  479    HG2  PRO  59           HG2      PRO  59  -0.564   0.137 -13.986
  480    HG3  PRO  59           HG3      PRO  59  -1.343   1.728 -14.022
  481    HD2  PRO  59           HD2      PRO  59   0.853   0.739 -12.299
  482    HD3  PRO  59           HD3      PRO  59   0.476   2.395 -12.816
  483    H    SER  60           H        SER  60  -1.022  -0.610 -10.032
  484    HA   SER  60           HA       SER  60  -3.370  -1.585  -8.757
  485    HB2  SER  60           HB2      SER  60  -0.465  -2.225  -8.241
  486    HB3  SER  60           HB3      SER  60  -1.839  -3.140  -7.615
  487    HG   SER  60           HG       SER  60  -2.437  -3.272  -9.965
  488    H    LEU  61           H        LEU  61  -0.764   0.539  -7.742
  489    HA   LEU  61           HA       LEU  61  -1.394   0.418  -4.962
  490    HB2  LEU  61           HB2      LEU  61   0.750   1.302  -6.339
  491    HB3  LEU  61           HB3      LEU  61  -0.062   2.826  -6.061
  492    HG   LEU  61           HG       LEU  61   1.658   2.361  -4.367
  493   HD11  LEU  61          HD11      LEU  61  -0.182   3.781  -3.762
  494   HD12  LEU  61          HD12      LEU  61   0.267   2.774  -2.388
  495   HD13  LEU  61          HD13      LEU  61  -1.170   2.382  -3.335
  496   HD21  LEU  61          HD21      LEU  61   1.519  -0.054  -4.313
  497   HD22  LEU  61          HD22      LEU  61  -0.109   0.031  -3.641
  498   HD23  LEU  61          HD23      LEU  61   1.265   0.613  -2.699
  499    H    SER  62           H        SER  62  -2.106   2.750  -7.557
  500    HA   SER  62           HA       SER  62  -3.623   4.515  -5.948
  501    HB2  SER  62           HB2      SER  62  -2.671   5.195  -8.116
  502    HB3  SER  62           HB3      SER  62  -3.745   4.068  -8.945
  503    HG   SER  62           HG       SER  62  -5.434   5.389  -7.674
  504    H    GLN  63           H        GLN  63  -4.568   1.864  -8.128
  505    HA   GLN  63           HA       GLN  63  -7.337   2.157  -7.809
  506    HB2  GLN  63           HB2      GLN  63  -7.571   0.125  -8.923
  507    HB3  GLN  63           HB3      GLN  63  -6.013   0.700  -9.493
  508    HG2  GLN  63           HG2      GLN  63  -4.919  -0.754  -7.805
  509    HG3  GLN  63           HG3      GLN  63  -6.504  -1.392  -7.384
  510   HE21  GLN  63          HE21      GLN  63  -5.401  -0.595 -10.641
  511   HE22  GLN  63          HE22      GLN  63  -5.410  -2.222 -11.233
  512    H    TRP  64           H        TRP  64  -4.900   0.688  -5.786
  513    HA   TRP  64           HA       TRP  64  -6.697  -0.821  -4.211
  514    HB2  TRP  64           HB2      TRP  64  -4.353  -1.409  -4.169
  515    HB3  TRP  64           HB3      TRP  64  -3.927   0.181  -3.537
  516    HD1  TRP  64           HD1      TRP  64  -3.208  -0.171  -1.101
  517    HE1  TRP  64           HE1      TRP  64  -4.181  -1.383   0.948
  518    HE3  TRP  64           HE3      TRP  64  -7.186  -2.478  -3.327
  519    HZ2  TRP  64           HZ2      TRP  64  -6.350  -3.074   1.542
  520    HZ3  TRP  64           HZ3      TRP  64  -8.669  -3.861  -1.943
  521    HH2  TRP  64           HH2      TRP  64  -8.257  -4.153   0.438
  522    H    PHE  65           H        PHE  65  -5.449   2.494  -3.897
  523    HA   PHE  65           HA       PHE  65  -6.520   3.110  -1.405
  524    HB2  PHE  65           HB2      PHE  65  -6.211   4.762  -3.901
  525    HB3  PHE  65           HB3      PHE  65  -6.943   5.440  -2.453
  526    HD1  PHE  65           HD1      PHE  65  -3.848   4.202  -3.963
  527    HD2  PHE  65           HD2      PHE  65  -5.627   5.942  -0.514
  528    HE1  PHE  65           HE1      PHE  65  -1.623   4.830  -3.131
  529    HE2  PHE  65           HE2      PHE  65  -3.400   6.563   0.329
  530    HZ   PHE  65           HZ       PHE  65  -1.390   6.018  -0.991
  531    H    GLU  66           H        GLU  66  -8.084   2.948  -4.549
  532    HA   GLU  66           HA       GLU  66 -10.636   3.826  -3.550
  533    HB2  GLU  66           HB2      GLU  66  -9.972   2.508  -6.187
  534    HB3  GLU  66           HB3      GLU  66 -11.412   3.445  -5.808
  535    HG2  GLU  66           HG2      GLU  66 -10.105   5.459  -5.575
  536    HG3  GLU  66           HG3      GLU  66  -8.611   4.545  -5.795
  537    H    HIS  67           H        HIS  67  -9.189   0.725  -4.491
  538    HA   HIS  67           HA       HIS  67 -11.526  -0.837  -4.138
  539    HB2  HIS  67           HB2      HIS  67  -8.602  -1.591  -4.072
  540    HB3  HIS  67           HB3      HIS  67  -9.898  -2.770  -3.924
  541    HD1  HIS  67           HD1      HIS  67  -8.889  -3.847  -6.121
  542    HD2  HIS  67           HD2      HIS  67 -10.572  -0.066  -6.583
  543    HE1  HIS  67           HE1      HIS  67  -9.130  -3.502  -8.600
  544    HE2  HIS  67           HE2      HIS  67 -10.379  -1.323  -8.831
  545    H    GLN  68           H        GLN  68  -8.894   0.045  -1.972
  546    HA   GLN  68           HA       GLN  68  -9.636  -1.512   0.254
  547    HB2  GLN  68           HB2      GLN  68  -7.471  -0.611   0.279
  548    HB3  GLN  68           HB3      GLN  68  -8.035   1.002  -0.129
  549    HG2  GLN  68           HG2      GLN  68  -9.034   1.178   2.116
  550    HG3  GLN  68           HG3      GLN  68  -8.356  -0.402   2.512
  551   HE21  GLN  68          HE21      GLN  68  -7.653   2.935   1.837
  552   HE22  GLN  68          HE22      GLN  68  -6.032   2.920   2.432
  553    H    GLU  69           H        GLU  69 -10.659   1.620  -0.908
  554    HA   GLU  69           HA       GLU  69 -12.091   2.476   1.345
  555    HB2  GLU  69           HB2      GLU  69 -11.506   3.953  -0.526
  556    HB3  GLU  69           HB3      GLU  69 -12.588   3.060  -1.581
  557    HG2  GLU  69           HG2      GLU  69 -14.506   3.845  -0.416
  558    HG3  GLU  69           HG3      GLU  69 -13.515   4.524   0.877
  559    H    ARG  70           H        ARG  70 -12.852   0.158  -1.141
  560    HA   ARG  70           HA       ARG  70 -15.531  -0.180   0.037
  561    HB2  ARG  70           HB2      ARG  70 -16.262  -1.124  -2.074
  562    HB3  ARG  70           HB3      ARG  70 -15.556   0.463  -2.340
  563    HG2  ARG  70           HG2      ARG  70 -13.482  -0.585  -3.106
  564    HG3  ARG  70           HG3      ARG  70 -14.196  -2.178  -2.846
  565    HD2  ARG  70           HD2      ARG  70 -15.986  -1.572  -4.462
  566    HD3  ARG  70           HD3      ARG  70 -15.127  -0.067  -4.787
  567    HE   ARG  70           HE       ARG  70 -13.837  -2.681  -5.237
  568   HH11  ARG  70          HH11      ARG  70 -14.921   0.435  -6.399
  569   HH12  ARG  70          HH12      ARG  70 -14.098   0.305  -7.925
  570   HH21  ARG  70          HH21      ARG  70 -12.838  -2.922  -7.276
  571   HH22  ARG  70          HH22      ARG  70 -12.910  -1.616  -8.431
  572    H    LYS  71           H        LYS  71 -12.912  -1.374   0.932
  573    HA   LYS  71           HA       LYS  71 -13.834  -4.151   0.962
  574    HB2  LYS  71           HB2      LYS  71 -12.009  -3.545  -0.865
  575    HB3  LYS  71           HB3      LYS  71 -10.923  -3.712   0.511
  576    HG2  LYS  71           HG2      LYS  71 -11.824  -5.984   0.897
  577    HG3  LYS  71           HG3      LYS  71 -12.810  -5.796  -0.543
  578    HD2  LYS  71           HD2      LYS  71  -9.811  -5.616  -0.489
  579    HD3  LYS  71           HD3      LYS  71 -10.724  -7.059  -0.933
  580    HE2  LYS  71           HE2      LYS  71 -11.840  -5.608  -2.699
  581    HE3  LYS  71           HE3      LYS  71 -10.576  -4.422  -2.361
  582    HZ1  LYS  71           HZ1      LYS  71 -10.004  -5.869  -4.220
  583    HZ2  LYS  71           HZ2      LYS  71 -10.113  -7.230  -3.209
  584    HZ3  LYS  71           HZ3      LYS  71  -8.920  -6.061  -2.934
  585    H    LEU  72           H        LEU  72 -11.184  -4.974   2.080
  586    HA   LEU  72           HA       LEU  72 -10.363  -5.440   4.104
  587    HB2  LEU  72           HB2      LEU  72 -10.734  -2.478   4.507
  588    HB3  LEU  72           HB3      LEU  72  -9.687  -3.518   5.460
  589    HG   LEU  72           HG       LEU  72  -9.345  -2.505   2.675
  590   HD11  LEU  72          HD11      LEU  72  -7.515  -2.803   5.044
  591   HD12  LEU  72          HD12      LEU  72  -8.274  -1.317   4.476
  592   HD13  LEU  72          HD13      LEU  72  -7.061  -2.121   3.482
  593   HD21  LEU  72          HD21      LEU  72  -9.194  -4.910   2.402
  594   HD22  LEU  72          HD22      LEU  72  -8.053  -5.007   3.749
  595   HD23  LEU  72          HD23      LEU  72  -7.598  -4.169   2.263
  596    H    HIS  73           H        HIS  73 -11.543  -3.106   6.107
  597    HA   HIS  73           HA       HIS  73 -13.888  -4.682   6.902
  598    HB2  HIS  73           HB2      HIS  73 -11.671  -5.171   8.166
  599    HB3  HIS  73           HB3      HIS  73 -11.923  -3.596   8.914
  600    HD1  HIS  73           HD1      HIS  73 -12.922  -7.113   9.097
  601    HD2  HIS  73           HD2      HIS  73 -14.316  -3.481  10.560
  602    HE1  HIS  73           HE1      HIS  73 -14.545  -7.696  10.932
  603    HE2  HIS  73           HE2      HIS  73 -15.283  -5.480  11.882
  604    H    GLY  74           H        GLY  74 -13.468  -2.143   5.472
  605    HA2  GLY  74           HA2      GLY  74 -14.460  -0.052   5.461
  606    HA3  GLY  74           HA3      GLY  74 -15.123  -0.400   7.056
  607    H    THR  75           H        THR  75 -11.857  -1.038   6.969
  608    HA   THR  75           HA       THR  75 -11.304   1.354   8.517
  609    HB   THR  75           HB       THR  75  -9.099   0.075   8.935
  610    HG1  THR  75           HG1      THR  75  -8.954  -1.795   7.967
  611   HG21  THR  75          HG21      THR  75 -11.730  -1.005   9.949
  612   HG22  THR  75          HG22      THR  75 -10.844   0.367  10.616
  613   HG23  THR  75          HG23      THR  75 -10.158  -1.256  10.707
  614    H    LEU  76           H        LEU  76 -11.152   2.845   6.853
  615    HA   LEU  76           HA       LEU  76  -8.556   3.054   5.705
  616    HB2  LEU  76           HB2      LEU  76  -9.086   3.099   3.428
  617    HB3  LEU  76           HB3      LEU  76  -9.796   1.639   4.063
  618    HG   LEU  76           HG       LEU  76 -11.319   2.514   2.502
  619   HD11  LEU  76          HD11      LEU  76 -12.426   1.712   4.506
  620   HD12  LEU  76          HD12      LEU  76 -13.320   3.047   3.779
  621   HD13  LEU  76          HD13      LEU  76 -12.335   3.326   5.214
  622   HD21  LEU  76          HD21      LEU  76 -12.197   4.921   2.903
  623   HD22  LEU  76          HD22      LEU  76 -10.659   4.665   2.076
  624   HD23  LEU  76          HD23      LEU  76 -10.673   5.106   3.786
  625    HA   PRO  77           HA       PRO  77  -9.557   7.263   6.460
  626    HB2  PRO  77           HB2      PRO  77  -7.444   8.436   5.283
  627    HB3  PRO  77           HB3      PRO  77  -7.277   7.484   6.764
  628    HG2  PRO  77           HG2      PRO  77  -6.704   6.694   3.934
  629    HG3  PRO  77           HG3      PRO  77  -5.753   6.379   5.397
  630    HD2  PRO  77           HD2      PRO  77  -7.437   4.542   4.259
  631    HD3  PRO  77           HD3      PRO  77  -7.029   4.572   5.986
  632    H    LYS  78           H        LYS  78 -11.048   8.455   5.464
  633    HA   LYS  78           HA       LYS  78 -11.375   8.222   2.580
  634    HB2  LYS  78           HB2      LYS  78 -13.514   9.455   2.991
  635    HB3  LYS  78           HB3      LYS  78 -13.380   7.951   3.890
  636    HG2  LYS  78           HG2      LYS  78 -12.747   9.218   5.892
  637    HG3  LYS  78           HG3      LYS  78 -12.925  10.720   4.985
  638    HD2  LYS  78           HD2      LYS  78 -15.117   8.704   5.464
  639    HD3  LYS  78           HD3      LYS  78 -14.905  10.206   6.363
  640    HE2  LYS  78           HE2      LYS  78 -15.223  11.492   4.316
  641    HE3  LYS  78           HE3      LYS  78 -15.386   9.997   3.393
  642    HZ1  LYS  78           HZ1      LYS  78 -17.216  10.975   5.520
  643    HZ2  LYS  78           HZ2      LYS  78 -17.349   9.471   4.754
  644    HZ3  LYS  78           HZ3      LYS  78 -17.543  10.896   3.858
  645    H    LEU  79           H        LEU  79  -9.122   9.458   3.071
  646    HA   LEU  79           HA       LEU  79  -9.613  12.348   2.837
  647    HB2  LEU  79           HB2      LEU  79  -7.104  12.459   3.422
  648    HB3  LEU  79           HB3      LEU  79  -8.249  12.088   4.693
  649    HG   LEU  79           HG       LEU  79  -7.653   9.717   4.574
  650   HD11  LEU  79          HD11      LEU  79  -5.642  10.540   2.484
  651   HD12  LEU  79          HD12      LEU  79  -7.094   9.584   2.190
  652   HD13  LEU  79          HD13      LEU  79  -5.804   8.938   3.205
  653   HD21  LEU  79          HD21      LEU  79  -5.375   9.890   5.421
  654   HD22  LEU  79          HD22      LEU  79  -6.397  11.177   6.063
  655   HD23  LEU  79          HD23      LEU  79  -5.251  11.521   4.766
  656    H    ASN  80           H        ASN  80  -7.311  13.239   1.755
  657    HA   ASN  80           HA       ASN  80  -7.032  11.761  -0.777
  658    HB2  ASN  80           HB2      ASN  80  -6.824  14.750  -0.348
  659    HB3  ASN  80           HB3      ASN  80  -6.486  13.917  -1.862
  660   HD21  ASN  80          HD21      ASN  80  -8.907  15.108   0.277
  661   HD22  ASN  80          HD22      ASN  80 -10.264  14.815  -0.755
  662    H    PHE  81           H        PHE  81  -5.177  10.647  -0.450
  663    HA   PHE  81           HA       PHE  81  -2.871  11.926   0.709
  664    HB2  PHE  81           HB2      PHE  81  -3.412   9.215  -0.432
  665    HB3  PHE  81           HB3      PHE  81  -1.747   9.738  -0.193
  666    HD1  PHE  81           HD1      PHE  81  -2.116  11.319   2.318
  667    HD2  PHE  81           HD2      PHE  81  -3.614   7.511   1.151
  668    HE1  PHE  81           HE1      PHE  81  -2.255  10.655   4.680
  669    HE2  PHE  81           HE2      PHE  81  -3.755   6.839   3.514
  670    HZ   PHE  81           HZ       PHE  81  -3.073   8.412   5.283
  671    H    GLY  82           H        GLY  82  -4.319  12.550  -2.022
  672    HA2  GLY  82           HA2      GLY  82  -3.286  14.336  -3.241
  673    HA3  GLY  82           HA3      GLY  82  -1.775  13.449  -3.158
  674    H    MET  83           H        MET  83  -1.460  11.697  -4.528
  675    HA   MET  83           HA       MET  83  -2.413  12.529  -7.117
  676    HB2  MET  83           HB2      MET  83  -0.491  11.577  -7.995
  677    HB3  MET  83           HB3      MET  83   0.029  12.046  -6.385
  678    HG2  MET  83           HG2      MET  83  -0.916   9.434  -6.123
  679    HG3  MET  83           HG3      MET  83  -0.016   9.451  -7.630
  680    HE1  MET  83           HE1      MET  83   0.456  11.263  -4.090
  681    HE2  MET  83           HE2      MET  83   1.710  10.220  -3.421
  682    HE3  MET  83           HE3      MET  83   0.110   9.563  -3.763
  683    H    LEU  84           H        LEU  84  -3.964  10.600  -5.187
  684    HA   LEU  84           HA       LEU  84  -4.633   8.723  -7.302
  685    HB2  LEU  84           HB2      LEU  84  -4.895   6.916  -5.466
  686    HB3  LEU  84           HB3      LEU  84  -3.343   7.221  -6.203
  687    HG   LEU  84           HG       LEU  84  -3.354   6.811  -3.714
  688   HD11  LEU  84          HD11      LEU  84  -1.456   7.795  -4.843
  689   HD12  LEU  84          HD12      LEU  84  -1.678   8.499  -3.239
  690   HD13  LEU  84          HD13      LEU  84  -2.176   9.395  -4.675
  691   HD21  LEU  84          HD21      LEU  84  -4.615   9.530  -3.711
  692   HD22  LEU  84          HD22      LEU  84  -3.810   8.817  -2.315
  693   HD23  LEU  84          HD23      LEU  84  -5.242   8.045  -2.998
  694    H    ARG  85           H        ARG  85  -5.770  10.772  -4.850
  695    HA   ARG  85           HA       ARG  85  -8.357   9.380  -4.812
  696    HB2  ARG  85           HB2      ARG  85  -7.274  11.447  -2.895
  697    HB3  ARG  85           HB3      ARG  85  -8.884  10.745  -2.819
  698    HG2  ARG  85           HG2      ARG  85  -6.416   9.051  -2.698
  699    HG3  ARG  85           HG3      ARG  85  -7.120   9.798  -1.263
  700    HD2  ARG  85           HD2      ARG  85  -8.697   8.065  -3.146
  701    HD3  ARG  85           HD3      ARG  85  -7.830   7.420  -1.751
  702    HE   ARG  85           HE       ARG  85  -9.373   9.457  -0.754
  703   HH11  ARG  85          HH11      ARG  85  -9.999   6.535  -2.573
  704   HH12  ARG  85          HH12      ARG  85 -11.560   6.261  -1.859
  705   HH21  ARG  85          HH21      ARG  85 -11.422   9.097   0.196
  706   HH22  ARG  85          HH22      ARG  85 -12.369   7.714  -0.274
  707    H    LYS  86           H        LYS  86  -9.383  10.105  -6.574
  708    HA   LYS  86           HA       LYS  86 -10.787  11.428  -7.755
  709    HB2  LYS  86           HB2      LYS  86 -11.544  12.223  -5.539
  710    HB3  LYS  86           HB3      LYS  86 -10.332  13.493  -5.601
  711    HG2  LYS  86           HG2      LYS  86 -12.537  14.331  -6.173
  712    HG3  LYS  86           HG3      LYS  86 -11.428  14.466  -7.537
  713    HD2  LYS  86           HD2      LYS  86 -12.399  12.529  -8.585
  714    HD3  LYS  86           HD3      LYS  86 -13.401  12.216  -7.166
  715    HE2  LYS  86           HE2      LYS  86 -13.568  14.694  -8.875
  716    HE3  LYS  86           HE3      LYS  86 -14.635  13.299  -9.026
  717    HZ1  LYS  86           HZ1      LYS  86 -15.580  15.116  -7.682
  718    HZ2  LYS  86           HZ2      LYS  86 -14.331  14.918  -6.553
  719    HZ3  LYS  86           HZ3      LYS  86 -15.439  13.667  -6.817
  720    H    MET  87           H        MET  87  -7.811  12.868  -6.704
  721    HA   MET  87           HA       MET  87  -7.670  14.650  -8.996
  722    HB2  MET  87           HB2      MET  87  -5.829  14.144  -6.655
  723    HB3  MET  87           HB3      MET  87  -5.466  15.285  -7.947
  724    HG2  MET  87           HG2      MET  87  -7.241  16.692  -7.349
  725    HG3  MET  87           HG3      MET  87  -7.992  15.456  -6.341
  726    HE1  MET  87           HE1      MET  87  -7.232  14.794  -3.981
  727    HE2  MET  87           HE2      MET  87  -5.744  15.344  -3.209
  728    HE3  MET  87           HE3      MET  87  -5.668  14.288  -4.621
  729    H    GLY  88           H        GLY  88  -7.304  11.496  -8.664
  730    HA2  GLY  88           HA2      GLY  88  -4.902  11.297 -10.339
  731    HA3  GLY  88           HA3      GLY  88  -5.655   9.961  -9.472
  Start of MODEL   26
    1    H1   PHE   1           HT1      PHE   1   8.670 -12.487  -0.254
    2    H2   PHE   1           HT2      PHE   1   9.795 -12.255  -1.492
    3    H3   PHE   1           HT3      PHE   1   8.452 -11.233  -1.366
    4    HA   PHE   1           HA       PHE   1  10.629 -11.441   0.634
    5    HB2  PHE   1           HB2      PHE   1  11.200 -10.385  -1.620
    6    HB3  PHE   1           HB3      PHE   1  10.038  -9.126  -1.214
    7    HD1  PHE   1           HD2      PHE   1  10.445  -7.737   0.859
    8    HD2  PHE   1           HD1      PHE   1  13.385 -10.329  -0.794
    9    HE1  PHE   1           HE2      PHE   1  12.197  -6.527   2.089
   10    HE2  PHE   1           HE1      PHE   1  15.143  -9.122   0.431
   11    HZ   PHE   1           HZ       PHE   1  14.550  -7.218   1.874
   12    H    LEU   2           H        LEU   2   9.553 -11.307   2.499
   13    HA   LEU   2           HA       LEU   2   7.345  -9.518   2.905
   14    HB2  LEU   2           HB2      LEU   2   7.323 -11.365   4.337
   15    HB3  LEU   2           HB3      LEU   2   9.040 -11.258   4.661
   16    HG   LEU   2           HG       LEU   2   8.617  -9.228   6.035
   17   HD11  LEU   2          HD11      LEU   2   5.714  -9.916   5.628
   18   HD12  LEU   2          HD12      LEU   2   6.539  -8.495   4.989
   19   HD13  LEU   2          HD13      LEU   2   6.349  -8.694   6.732
   20   HD21  LEU   2          HD21      LEU   2   7.649 -10.409   7.935
   21   HD22  LEU   2          HD22      LEU   2   8.806 -11.424   7.073
   22   HD23  LEU   2          HD23      LEU   2   7.076 -11.682   6.856
   23    H    LEU   3           H        LEU   3   7.719  -7.392   2.721
   24    HA   LEU   3           HA       LEU   3  10.137  -6.110   3.444
   25    HB2  LEU   3           HB2      LEU   3   7.375  -5.200   2.787
   26    HB3  LEU   3           HB3      LEU   3   8.442  -4.065   3.589
   27    HG   LEU   3           HG       LEU   3   8.475  -3.723   1.182
   28   HD11  LEU   3          HD11      LEU   3  10.510  -3.266   2.440
   29   HD12  LEU   3          HD12      LEU   3  10.882  -3.836   0.811
   30   HD13  LEU   3          HD13      LEU   3  11.048  -4.928   2.187
   31   HD21  LEU   3          HD21      LEU   3   7.902  -5.941   0.409
   32   HD22  LEU   3          HD22      LEU   3   9.428  -6.579   1.024
   33   HD23  LEU   3          HD23      LEU   3   9.431  -5.433  -0.317
   34    HA   PRO   4           HA       PRO   4   9.649  -6.663   7.853
   35    HB2  PRO   4           HB2      PRO   4  11.902  -4.724   7.830
   36    HB3  PRO   4           HB3      PRO   4  11.774  -6.292   8.631
   37    HG2  PRO   4           HG2      PRO   4  13.264  -5.996   6.444
   38    HG3  PRO   4           HG3      PRO   4  12.305  -7.467   6.707
   39    HD2  PRO   4           HD2      PRO   4  11.762  -5.141   4.907
   40    HD3  PRO   4           HD3      PRO   4  11.467  -6.876   4.632
   41    HA   PRO   5           HA       PRO   5   7.091  -3.099   8.635
   42    HB2  PRO   5           HB2      PRO   5   7.275  -4.054  11.433
   43    HB3  PRO   5           HB3      PRO   5   5.846  -3.766  10.437
   44    HG2  PRO   5           HG2      PRO   5   6.646  -6.243  10.995
   45    HG3  PRO   5           HG3      PRO   5   5.995  -5.830   9.398
   46    HD2  PRO   5           HD2      PRO   5   8.838  -6.226  10.241
   47    HD3  PRO   5           HD3      PRO   5   8.023  -6.740   8.750
   48    H    SER   6           H        SER   6   7.660  -1.078   8.963
   49    HA   SER   6           HA       SER   6   8.635   0.804   9.749
   50    HB2  SER   6           HB2      SER   6   8.130  -0.097  12.009
   51    HB3  SER   6           HB3      SER   6   9.697  -0.904  12.014
   52    HG   SER   6           HG       SER   6  10.524   1.349  11.591
   53    H    THR   7           H        THR   7  10.113  -1.581   8.302
   54    HA   THR   7           HA       THR   7  12.672  -0.133   8.241
   55    HB   THR   7           HB       THR   7  12.303  -3.110   7.798
   56    HG1  THR   7           HG1      THR   7  12.517  -3.239   9.902
   57   HG21  THR   7          HG21      THR   7  14.814  -1.440   7.986
   58   HG22  THR   7          HG22      THR   7  14.149  -2.123   6.503
   59   HG23  THR   7          HG23      THR   7  14.743  -3.191   7.775
   60    H    ALA   8           H        ALA   8  11.769   1.172   6.578
   61    HA   ALA   8           HA       ALA   8  11.280  -0.260   4.052
   62    HB1  ALA   8           HB1      ALA   8   9.973   2.289   4.983
   63    HB2  ALA   8           HB2      ALA   8   9.225   0.690   4.957
   64    HB3  ALA   8           HB3      ALA   8   9.687   1.474   3.445
   65    H    CYS   9           H        CYS   9  13.514  -0.029   3.552
   66    HA   CYS   9           HA       CYS   9  13.858   2.496   2.081
   67    HB2  CYS   9           HB2      CYS   9  15.498   2.070   4.093
   68    HB3  CYS   9           HB3      CYS   9  16.249   0.918   3.004
   69    H    CYS  10           H        CYS  10  12.433   0.677   1.063
   70    HA   CYS  10           HA       CYS  10  13.404  -1.697   0.052
   71    HB2  CYS  10           HB2      CYS  10  11.050  -1.173   0.163
   72    HB3  CYS  10           HB3      CYS  10  11.247   0.143  -0.984
   73    H    THR  11           H        THR  11  14.496  -2.326  -1.699
   74    HA   THR  11           HA       THR  11  15.094  -0.340  -3.767
   75    HB   THR  11           HB       THR  11  17.065  -0.506  -2.379
   76    HG1  THR  11           HG1      THR  11  17.460  -2.021  -4.769
   77   HG21  THR  11          HG21      THR  11  16.945  -3.481  -2.876
   78   HG22  THR  11          HG22      THR  11  16.634  -2.665  -1.344
   79   HG23  THR  11          HG23      THR  11  18.250  -2.629  -2.050
   80    H    GLN  12           H        GLN  12  13.277  -2.823  -3.366
   81    HA   GLN  12           HA       GLN  12  13.740  -3.788  -6.053
   82    HB2  GLN  12           HB2      GLN  12  13.052  -6.169  -5.091
   83    HB3  GLN  12           HB3      GLN  12  14.721  -5.660  -5.253
   84    HG2  GLN  12           HG2      GLN  12  14.503  -6.711  -3.149
   85    HG3  GLN  12           HG3      GLN  12  14.655  -4.985  -2.843
   86   HE21  GLN  12          HE21      GLN  12  12.983  -3.902  -1.927
   87   HE22  GLN  12          HE22      GLN  12  11.561  -4.653  -1.332
   88    H    LEU  13           H        LEU  13  12.011  -2.850  -6.873
   89    HA   LEU  13           HA       LEU  13   9.467  -2.908  -5.498
   90    HB2  LEU  13           HB2      LEU  13  10.177  -1.820  -8.224
   91    HB3  LEU  13           HB3      LEU  13   8.695  -1.507  -7.338
   92    HG   LEU  13           HG       LEU  13  11.432  -0.694  -6.354
   93   HD11  LEU  13          HD11      LEU  13  10.910   1.547  -7.054
   94   HD12  LEU  13          HD12      LEU  13   9.344   1.027  -7.671
   95   HD13  LEU  13          HD13      LEU  13  10.825   0.470  -8.450
   96   HD21  LEU  13          HD21      LEU  13  10.151   0.747  -4.842
   97   HD22  LEU  13          HD22      LEU  13   9.785  -0.960  -4.591
   98   HD23  LEU  13          HD23      LEU  13   8.653   0.066  -5.472
   99    H    TYR  14           H        TYR  14   7.725  -4.107  -5.981
  100    HA   TYR  14           HA       TYR  14   8.085  -6.593  -7.241
  101    HB2  TYR  14           HB2      TYR  14   6.380  -5.790  -5.426
  102    HB3  TYR  14           HB3      TYR  14   5.374  -5.381  -6.809
  103    HD1  TYR  14           HD2      TYR  14   7.184  -8.193  -5.203
  104    HD2  TYR  14           HD1      TYR  14   4.069  -7.028  -7.853
  105    HE1  TYR  14           HE2      TYR  14   6.382 -10.514  -5.269
  106    HE2  TYR  14           HE1      TYR  14   3.253  -9.347  -7.919
  107    HH   TYR  14           HH       TYR  14   4.088 -11.606  -7.541
  108    H    ARG  15           H        ARG  15   6.318  -3.699  -8.283
  109    HA   ARG  15           HA       ARG  15   5.892  -2.825 -10.330
  110    HB2  ARG  15           HB2      ARG  15   7.507  -5.145 -11.376
  111    HB3  ARG  15           HB3      ARG  15   6.848  -3.870 -12.386
  112    HG2  ARG  15           HG2      ARG  15   8.187  -2.220 -11.156
  113    HG3  ARG  15           HG3      ARG  15   8.876  -3.523 -10.185
  114    HD2  ARG  15           HD2      ARG  15   9.738  -4.562 -12.250
  115    HD3  ARG  15           HD3      ARG  15   9.102  -3.204 -13.175
  116    HE   ARG  15           HE       ARG  15  10.747  -2.134 -11.207
  117   HH11  ARG  15          HH11      ARG  15  11.055  -4.226 -13.993
  118   HH12  ARG  15          HH12      ARG  15  12.706  -3.793 -14.299
  119   HH21  ARG  15          HH21      ARG  15  12.903  -1.542 -11.615
  120   HH22  ARG  15          HH22      ARG  15  13.758  -2.255 -12.945
  121    H    LYS  16           H        LYS  16   5.459  -6.338 -10.183
  122    HA   LYS  16           HA       LYS  16   3.468  -6.511 -12.167
  123    HB2  LYS  16           HB2      LYS  16   4.162  -8.296  -9.840
  124    HB3  LYS  16           HB3      LYS  16   2.841  -8.673 -10.934
  125    HG2  LYS  16           HG2      LYS  16   4.736  -9.918 -11.626
  126    HG3  LYS  16           HG3      LYS  16   4.488  -8.639 -12.812
  127    HD2  LYS  16           HD2      LYS  16   6.273  -7.337 -11.833
  128    HD3  LYS  16           HD3      LYS  16   6.465  -8.518 -10.537
  129    HE2  LYS  16           HE2      LYS  16   8.182  -8.762 -12.265
  130    HE3  LYS  16           HE3      LYS  16   7.165 -10.197 -12.137
  131    HZ1  LYS  16           HZ1      LYS  16   5.944  -9.482 -14.078
  132    HZ2  LYS  16           HZ2      LYS  16   7.597  -9.564 -14.440
  133    HZ3  LYS  16           HZ3      LYS  16   6.862  -8.062 -14.180
  134    HA   PRO  17           HA       PRO  17  -0.024  -4.633 -10.121
  135    HB2  PRO  17           HB2      PRO  17  -1.542  -6.302 -12.050
  136    HB3  PRO  17           HB3      PRO  17  -1.597  -4.556 -11.784
  137    HG2  PRO  17           HG2      PRO  17  -0.413  -5.568 -13.944
  138    HG3  PRO  17           HG3      PRO  17   0.262  -4.160 -13.103
  139    HD2  PRO  17           HD2      PRO  17   1.138  -7.019 -13.016
  140    HD3  PRO  17           HD3      PRO  17   2.120  -5.540 -13.064
  141    H    LEU  18           H        LEU  18  -0.643  -5.366  -8.204
  142    HA   LEU  18           HA       LEU  18  -0.742  -8.139  -7.576
  143    HB2  LEU  18           HB2      LEU  18  -1.612  -5.720  -5.999
  144    HB3  LEU  18           HB3      LEU  18  -1.561  -7.352  -5.359
  145    HG   LEU  18           HG       LEU  18   0.805  -5.739  -6.318
  146   HD11  LEU  18          HD11      LEU  18  -0.053  -4.992  -4.174
  147   HD12  LEU  18          HD12      LEU  18   1.493  -5.817  -3.972
  148   HD13  LEU  18          HD13      LEU  18  -0.009  -6.645  -3.562
  149   HD21  LEU  18          HD21      LEU  18   0.695  -8.525  -5.171
  150   HD22  LEU  18          HD22      LEU  18   2.161  -7.609  -5.514
  151   HD23  LEU  18          HD23      LEU  18   1.100  -8.098  -6.833
  152    H    SER  19           H        SER  19  -2.433  -9.476  -7.282
  153    HA   SER  19           HA       SER  19  -4.842  -8.881  -8.680
  154    HB2  SER  19           HB2      SER  19  -4.296 -11.273  -6.918
  155    HB3  SER  19           HB3      SER  19  -5.390 -11.173  -8.302
  156    HG   SER  19           HG       SER  19  -3.725 -11.897  -9.381
  157    H    ASP  20           H        ASP  20  -6.879  -8.523  -7.897
  158    HA   ASP  20           HA       ASP  20  -7.239  -7.133  -5.517
  159    HB2  ASP  20           HB2      ASP  20  -8.762  -7.247  -7.579
  160    HB3  ASP  20           HB3      ASP  20  -9.439  -8.697  -6.847
  161    H    LYS  21           H        LYS  21  -7.573 -10.543  -6.206
  162    HA   LYS  21           HA       LYS  21  -8.896 -11.402  -3.916
  163    HB2  LYS  21           HB2      LYS  21  -6.810 -12.792  -5.598
  164    HB3  LYS  21           HB3      LYS  21  -7.726 -13.591  -4.328
  165    HG2  LYS  21           HG2      LYS  21  -9.790 -13.197  -5.499
  166    HG3  LYS  21           HG3      LYS  21  -8.949 -12.250  -6.729
  167    HD2  LYS  21           HD2      LYS  21  -7.737 -14.194  -7.471
  168    HD3  LYS  21           HD3      LYS  21  -8.392 -15.157  -6.144
  169    HE2  LYS  21           HE2      LYS  21 -10.030 -13.898  -8.340
  170    HE3  LYS  21           HE3      LYS  21  -9.512 -15.583  -8.313
  171    HZ1  LYS  21           HZ1      LYS  21 -10.742 -15.854  -6.222
  172    HZ2  LYS  21           HZ2      LYS  21 -11.755 -15.401  -7.507
  173    HZ3  LYS  21           HZ3      LYS  21 -11.303 -14.258  -6.344
  174    H    LEU  22           H        LEU  22  -5.380 -11.040  -4.438
  175    HA   LEU  22           HA       LEU  22  -4.834 -11.685  -1.706
  176    HB2  LEU  22           HB2      LEU  22  -2.527 -11.190  -2.169
  177    HB3  LEU  22           HB3      LEU  22  -3.191 -12.194  -3.437
  178    HG   LEU  22           HG       LEU  22  -3.482  -9.910  -4.698
  179   HD11  LEU  22          HD11      LEU  22  -2.864  -8.467  -2.853
  180   HD12  LEU  22          HD12      LEU  22  -1.678  -8.330  -4.153
  181   HD13  LEU  22          HD13      LEU  22  -1.305  -9.278  -2.712
  182   HD21  LEU  22          HD21      LEU  22  -2.060 -11.774  -5.400
  183   HD22  LEU  22          HD22      LEU  22  -0.794 -11.218  -4.306
  184   HD23  LEU  22          HD23      LEU  22  -1.274 -10.219  -5.679
  185    H    LEU  23           H        LEU  23  -5.580  -8.816  -3.468
  186    HA   LEU  23           HA       LEU  23  -4.439  -6.918  -1.726
  187    HB2  LEU  23           HB2      LEU  23  -6.728  -6.718  -3.665
  188    HB3  LEU  23           HB3      LEU  23  -6.139  -5.347  -2.747
  189    HG   LEU  23           HG       LEU  23  -4.508  -6.950  -4.721
  190   HD11  LEU  23          HD11      LEU  23  -4.618  -4.934  -6.101
  191   HD12  LEU  23          HD12      LEU  23  -5.694  -4.186  -4.922
  192   HD13  LEU  23          HD13      LEU  23  -6.221  -5.611  -5.818
  193   HD21  LEU  23          HD21      LEU  23  -3.173  -6.025  -2.885
  194   HD22  LEU  23          HD22      LEU  23  -3.842  -4.426  -3.213
  195   HD23  LEU  23          HD23      LEU  23  -2.825  -5.220  -4.416
  196    H    ARG  24           H        ARG  24  -7.609  -8.511  -1.715
  197    HA   ARG  24           HA       ARG  24  -8.702  -6.909   0.368
  198    HB2  ARG  24           HB2      ARG  24 -10.393  -8.659   0.611
  199    HB3  ARG  24           HB3      ARG  24 -10.132  -8.254  -1.078
  200    HG2  ARG  24           HG2      ARG  24  -8.871 -10.255  -1.429
  201    HG3  ARG  24           HG3      ARG  24  -8.893 -10.621   0.299
  202    HD2  ARG  24           HD2      ARG  24 -11.325 -10.455  -1.477
  203    HD3  ARG  24           HD3      ARG  24 -10.535 -11.950  -0.975
  204    HE   ARG  24           HE       ARG  24 -11.210 -10.377   1.284
  205   HH11  ARG  24          HH11      ARG  24 -12.701 -12.414  -1.159
  206   HH12  ARG  24          HH12      ARG  24 -14.000 -12.917  -0.110
  207   HH21  ARG  24          HH21      ARG  24 -12.906 -11.007   2.624
  208   HH22  ARG  24          HH22      ARG  24 -14.120 -12.109   2.044
  209    H    LYS  25           H        LYS  25  -6.053  -8.662   0.545
  210    HA   LYS  25           HA       LYS  25  -6.476  -9.623   3.292
  211    HB2  LYS  25           HB2      LYS  25  -4.231 -10.307   1.386
  212    HB3  LYS  25           HB3      LYS  25  -4.546 -11.053   2.946
  213    HG2  LYS  25           HG2      LYS  25  -6.476 -12.144   2.149
  214    HG3  LYS  25           HG3      LYS  25  -6.525 -11.154   0.689
  215    HD2  LYS  25           HD2      LYS  25  -5.689 -13.381   0.179
  216    HD3  LYS  25           HD3      LYS  25  -4.429 -12.171  -0.063
  217    HE2  LYS  25           HE2      LYS  25  -3.433 -14.021   1.035
  218    HE3  LYS  25           HE3      LYS  25  -3.578 -12.715   2.210
  219    HZ1  LYS  25           HZ1      LYS  25  -5.375 -15.067   1.981
  220    HZ2  LYS  25           HZ2      LYS  25  -5.592 -13.793   3.070
  221    HZ3  LYS  25           HZ3      LYS  25  -4.236 -14.800   3.201
  222    H    VAL  26           H        VAL  26  -5.417  -7.006   1.658
  223    HA   VAL  26           HA       VAL  26  -3.058  -6.395   3.240
  224    HB   VAL  26           HB       VAL  26  -4.605  -4.551   1.397
  225   HG11  VAL  26          HG11      VAL  26  -2.522  -3.294   1.266
  226   HG12  VAL  26          HG12      VAL  26  -1.755  -4.437   2.372
  227   HG13  VAL  26          HG13      VAL  26  -3.080  -3.416   2.936
  228   HG21  VAL  26          HG21      VAL  26  -3.901  -6.521   0.154
  229   HG22  VAL  26          HG22      VAL  26  -2.250  -6.313   0.740
  230   HG23  VAL  26          HG23      VAL  26  -2.964  -5.107  -0.330
  231    H    ILE  27           H        ILE  27  -2.979  -4.651   4.785
  232    HA   ILE  27           HA       ILE  27  -5.638  -3.909   5.820
  233    HB   ILE  27           HB       ILE  27  -4.652  -3.937   8.116
  234   HG12  ILE  27          HG12      ILE  27  -2.392  -5.389   6.715
  235   HG13  ILE  27          HG13      ILE  27  -2.281  -3.832   7.528
  236   HG21  ILE  27          HG21      ILE  27  -6.098  -5.722   7.361
  237   HG22  ILE  27          HG22      ILE  27  -4.806  -6.386   8.364
  238   HG23  ILE  27          HG23      ILE  27  -4.733  -6.548   6.610
  239   HD11  ILE  27          HD11      ILE  27  -2.818  -4.938   9.658
  240   HD12  ILE  27          HD12      ILE  27  -1.345  -5.562   8.915
  241   HD13  ILE  27          HD13      ILE  27  -2.843  -6.491   8.822
  242    H    GLN  28           H        GLN  28  -2.435  -2.833   5.019
  243    HA   GLN  28           HA       GLN  28  -3.215  -0.077   5.502
  244    HB2  GLN  28           HB2      GLN  28  -0.967  -1.422   6.989
  245    HB3  GLN  28           HB3      GLN  28  -0.951   0.307   6.689
  246    HG2  GLN  28           HG2      GLN  28  -3.165  -1.125   8.134
  247    HG3  GLN  28           HG3      GLN  28  -1.794  -0.362   8.933
  248   HE21  GLN  28          HE21      GLN  28  -4.738   0.156   7.169
  249   HE22  GLN  28          HE22      GLN  28  -4.877   1.851   7.498
  250    H    VAL  29           H        VAL  29  -1.961   1.440   4.361
  251    HA   VAL  29           HA       VAL  29  -0.043   0.330   2.439
  252    HB   VAL  29           HB       VAL  29  -0.052   2.630   1.419
  253   HG11  VAL  29          HG11      VAL  29  -2.709   1.208   1.552
  254   HG12  VAL  29          HG12      VAL  29  -1.374   0.837   0.457
  255   HG13  VAL  29          HG13      VAL  29  -2.227   2.375   0.316
  256   HG21  VAL  29          HG21      VAL  29  -1.871   4.168   1.978
  257   HG22  VAL  29          HG22      VAL  29  -0.819   3.900   3.368
  258   HG23  VAL  29          HG23      VAL  29  -2.386   3.096   3.278
  259    H    GLU  30           H        GLU  30   2.052   0.529   2.721
  260    HA   GLU  30           HA       GLU  30   3.031   2.123   4.974
  261    HB2  GLU  30           HB2      GLU  30   4.699   0.286   3.269
  262    HB3  GLU  30           HB3      GLU  30   4.965   0.773   4.936
  263    HG2  GLU  30           HG2      GLU  30   2.704  -0.987   4.026
  264    HG3  GLU  30           HG3      GLU  30   4.247  -1.585   4.639
  265    H    LEU  31           H        LEU  31   3.566   4.175   4.433
  266    HA   LEU  31           HA       LEU  31   4.470   4.690   1.716
  267    HB2  LEU  31           HB2      LEU  31   2.825   6.227   2.613
  268    HB3  LEU  31           HB3      LEU  31   3.868   6.598   3.975
  269    HG   LEU  31           HG       LEU  31   5.470   7.695   2.527
  270   HD11  LEU  31          HD11      LEU  31   5.234   6.242   0.574
  271   HD12  LEU  31          HD12      LEU  31   5.088   7.945   0.135
  272   HD13  LEU  31          HD13      LEU  31   3.645   6.938   0.249
  273   HD21  LEU  31          HD21      LEU  31   4.131   9.562   1.730
  274   HD22  LEU  31          HD22      LEU  31   3.580   9.031   3.321
  275   HD23  LEU  31          HD23      LEU  31   2.668   8.591   1.878
  276    H    GLN  32           H        GLN  32   6.489   4.139   1.407
  277    HA   GLN  32           HA       GLN  32   8.569   4.794   3.298
  278    HB2  GLN  32           HB2      GLN  32   8.857   2.791   2.011
  279    HB3  GLN  32           HB3      GLN  32   8.616   3.666   0.504
  280    HG2  GLN  32           HG2      GLN  32  10.684   4.863   0.825
  281    HG3  GLN  32           HG3      GLN  32  10.912   4.097   2.397
  282   HE21  GLN  32          HE21      GLN  32  12.505   4.088  -0.091
  283   HE22  GLN  32          HE22      GLN  32  12.747   2.419  -0.464
  284    H    GLU  33           H        GLU  33   8.927   6.894   3.533
  285    HA   GLU  33           HA       GLU  33   8.430   8.780   1.460
  286    HB2  GLU  33           HB2      GLU  33   9.813   9.111   4.123
  287    HB3  GLU  33           HB3      GLU  33   9.334  10.430   3.065
  288    HG2  GLU  33           HG2      GLU  33   6.981   9.683   3.286
  289    HG3  GLU  33           HG3      GLU  33   7.520   8.476   4.454
  290    H    ALA  34           H        ALA  34   9.951  10.232   0.536
  291    HA   ALA  34           HA       ALA  34  12.381   8.893  -0.272
  292    HB1  ALA  34           HB1      ALA  34  11.281  11.585  -1.083
  293    HB2  ALA  34           HB2      ALA  34  10.989  10.060  -1.917
  294    HB3  ALA  34           HB3      ALA  34  12.618  10.731  -1.854
  295    H    ASP  35           H        ASP  35  11.643  10.626   2.366
  296    HA   ASP  35           HA       ASP  35  14.403  11.294   2.844
  297    HB2  ASP  35           HB2      ASP  35  13.597  13.318   1.702
  298    HB3  ASP  35           HB3      ASP  35  12.300  13.472   2.881
  299    H    GLY  36           H        GLY  36  11.122  10.980   3.923
  300    HA2  GLY  36           HA2      GLY  36  11.425  11.708   6.616
  301    HA3  GLY  36           HA3      GLY  36  10.166  10.669   5.976
  302    H    ASP  37           H        ASP  37  12.614   8.934   5.025
  303    HA   ASP  37           HA       ASP  37  13.710   7.953   7.495
  304    HB2  ASP  37           HB2      ASP  37  11.448   6.865   7.439
  305    HB3  ASP  37           HB3      ASP  37  11.905   6.093   5.924
  306    H    CYS  38           H        CYS  38  12.948   6.693   4.276
  307    HA   CYS  38           HA       CYS  38  15.780   6.085   3.832
  308    HB2  CYS  38           HB2      CYS  38  14.114   4.292   3.443
  309    HB3  CYS  38           HB3      CYS  38  13.293   5.322   2.277
  310    H    HIS  39           H        HIS  39  16.557   6.598   1.527
  311    HA   HIS  39           HA       HIS  39  15.678   9.307   0.859
  312    HB2  HIS  39           HB2      HIS  39  17.761   9.318  -0.597
  313    HB3  HIS  39           HB3      HIS  39  18.023   9.238   1.139
  314    HD1  HIS  39           HD1      HIS  39  19.814   7.687   1.735
  315    HD2  HIS  39           HD2      HIS  39  17.817   6.454  -1.699
  316    HE1  HIS  39           HE1      HIS  39  20.961   5.570   1.004
  317    HE2  HIS  39           HE2      HIS  39  19.598   4.731  -0.946
  318    H    LEU  40           H        LEU  40  14.613   6.470   0.055
  319    HA   LEU  40           HA       LEU  40  14.099   7.217  -2.743
  320    HB2  LEU  40           HB2      LEU  40  15.636   5.257  -2.512
  321    HB3  LEU  40           HB3      LEU  40  14.375   4.411  -1.639
  322    HG   LEU  40           HG       LEU  40  13.786   5.400  -4.397
  323   HD11  LEU  40          HD11      LEU  40  15.362   2.911  -3.750
  324   HD12  LEU  40          HD12      LEU  40  15.957   4.324  -4.624
  325   HD13  LEU  40          HD13      LEU  40  14.689   3.319  -5.329
  326   HD21  LEU  40          HD21      LEU  40  12.994   2.935  -2.847
  327   HD22  LEU  40          HD22      LEU  40  12.419   3.374  -4.455
  328   HD23  LEU  40          HD23      LEU  40  12.008   4.381  -3.065
  329    H    GLN  41           H        GLN  41  11.956   7.220  -3.317
  330    HA   GLN  41           HA       GLN  41  10.055   6.897  -1.133
  331    HB2  GLN  41           HB2      GLN  41  10.190   8.879  -2.827
  332    HB3  GLN  41           HB3      GLN  41   9.332   7.790  -3.906
  333    HG2  GLN  41           HG2      GLN  41   7.590   7.553  -2.093
  334    HG3  GLN  41           HG3      GLN  41   8.409   8.876  -1.263
  335   HE21  GLN  41          HE21      GLN  41   6.697  10.279  -1.416
  336   HE22  GLN  41          HE22      GLN  41   6.186  10.977  -2.927
  337    H    ALA  42           H        ALA  42   8.543   5.318  -1.020
  338    HA   ALA  42           HA       ALA  42   7.909   3.722  -3.364
  339    HB1  ALA  42           HB1      ALA  42   8.401   1.591  -2.267
  340    HB2  ALA  42           HB2      ALA  42   9.078   2.461  -0.888
  341    HB3  ALA  42           HB3      ALA  42   9.857   2.567  -2.469
  342    H    PHE  43           H        PHE  43   6.062   2.361  -3.063
  343    HA   PHE  43           HA       PHE  43   4.455   3.032  -0.693
  344    HB2  PHE  43           HB2      PHE  43   3.741   2.955  -3.570
  345    HB3  PHE  43           HB3      PHE  43   2.563   2.266  -2.460
  346    HD1  PHE  43           HD1      PHE  43   4.312   5.336  -3.460
  347    HD2  PHE  43           HD2      PHE  43   1.319   3.642  -0.955
  348    HE1  PHE  43           HE1      PHE  43   3.461   7.589  -2.964
  349    HE2  PHE  43           HE2      PHE  43   0.463   5.894  -0.451
  350    HZ   PHE  43           HZ       PHE  43   1.534   7.870  -1.456
  351    H    VAL  44           H        VAL  44   4.669   1.347   0.590
  352    HA   VAL  44           HA       VAL  44   4.844  -1.337  -0.551
  353    HB   VAL  44           HB       VAL  44   5.312  -0.352   2.272
  354   HG11  VAL  44          HG11      VAL  44   5.872  -3.054   1.059
  355   HG12  VAL  44          HG12      VAL  44   4.631  -2.691   2.256
  356   HG13  VAL  44          HG13      VAL  44   6.336  -2.536   2.678
  357   HG21  VAL  44          HG21      VAL  44   7.683  -0.657   1.765
  358   HG22  VAL  44          HG22      VAL  44   6.937   0.509   0.669
  359   HG23  VAL  44          HG23      VAL  44   7.269  -1.131   0.115
  360    H    LEU  45           H        LEU  45   3.328  -2.921  -0.129
  361    HA   LEU  45           HA       LEU  45   0.875  -1.980   1.174
  362    HB2  LEU  45           HB2      LEU  45   1.369  -4.094  -0.895
  363    HB3  LEU  45           HB3      LEU  45  -0.112  -4.074   0.046
  364    HG   LEU  45           HG       LEU  45   0.873  -1.907  -1.804
  365   HD11  LEU  45          HD11      LEU  45  -1.162  -2.414  -3.053
  366   HD12  LEU  45          HD12      LEU  45  -1.534  -3.715  -1.919
  367   HD13  LEU  45          HD13      LEU  45  -0.104  -3.820  -2.945
  368   HD21  LEU  45          HD21      LEU  45  -1.566  -1.979  -0.033
  369   HD22  LEU  45          HD22      LEU  45  -1.214  -0.751  -1.249
  370   HD23  LEU  45          HD23      LEU  45  -0.167  -0.922   0.161
  371    H    HIS  46           H        HIS  46   0.480  -2.612   3.122
  372    HA   HIS  46           HA       HIS  46   2.003  -4.847   4.229
  373    HB2  HIS  46           HB2      HIS  46   1.825  -2.532   5.330
  374    HB3  HIS  46           HB3      HIS  46   0.174  -2.979   5.736
  375    HD1  HIS  46           HD1      HIS  46   3.005  -2.576   7.497
  376    HD2  HIS  46           HD2      HIS  46   0.651  -5.969   6.930
  377    HE1  HIS  46           HE1      HIS  46   3.498  -4.090   9.450
  378    HE2  HIS  46           HE2      HIS  46   1.949  -6.060   9.172
  379    H    LEU  47           H        LEU  47   0.901  -6.662   3.474
  380    HA   LEU  47           HA       LEU  47  -1.930  -6.948   3.977
  381    HB2  LEU  47           HB2      LEU  47   0.156  -8.973   3.144
  382    HB3  LEU  47           HB3      LEU  47  -1.546  -9.336   3.318
  383    HG   LEU  47           HG       LEU  47  -1.924  -7.515   1.538
  384   HD11  LEU  47          HD11      LEU  47   0.316  -6.542   1.606
  385   HD12  LEU  47          HD12      LEU  47  -0.082  -7.147  -0.002
  386   HD13  LEU  47          HD13      LEU  47   0.996  -8.069   1.044
  387   HD21  LEU  47          HD21      LEU  47  -1.508  -9.132  -0.270
  388   HD22  LEU  47          HD22      LEU  47  -2.287  -9.872   1.129
  389   HD23  LEU  47          HD23      LEU  47  -0.563 -10.117   0.849
  390    H    ALA  48           H        ALA  48  -2.761  -8.627   5.427
  391    HA   ALA  48           HA       ALA  48  -1.571  -8.388   8.017
  392    HB1  ALA  48           HB1      ALA  48  -3.867 -10.127   7.119
  393    HB2  ALA  48           HB2      ALA  48  -3.998  -8.458   7.671
  394    HB3  ALA  48           HB3      ALA  48  -3.460  -9.714   8.785
  395    H    GLN  49           H        GLN  49  -0.181  -9.941   5.797
  396    HA   GLN  49           HA       GLN  49   0.488 -12.295   7.379
  397    HB2  GLN  49           HB2      GLN  49  -0.183 -12.409   4.426
  398    HB3  GLN  49           HB3      GLN  49   0.451 -13.743   5.379
  399    HG2  GLN  49           HG2      GLN  49  -1.686 -14.331   5.620
  400    HG3  GLN  49           HG3      GLN  49  -1.740 -13.048   6.827
  401   HE21  GLN  49          HE21      GLN  49  -1.477 -10.992   4.691
  402   HE22  GLN  49          HE22      GLN  49  -3.044 -10.878   3.980
  403    H    ARG  50           H        ARG  50   1.221 -10.168   4.667
  404    HA   ARG  50           HA       ARG  50   3.956  -9.963   5.417
  405    HB2  ARG  50           HB2      ARG  50   4.764 -10.738   3.080
  406    HB3  ARG  50           HB3      ARG  50   4.436 -11.951   4.305
  407    HG2  ARG  50           HG2      ARG  50   3.524 -12.810   2.338
  408    HG3  ARG  50           HG3      ARG  50   2.142 -12.194   3.239
  409    HD2  ARG  50           HD2      ARG  50   2.155 -10.168   1.872
  410    HD3  ARG  50           HD3      ARG  50   3.545 -10.778   0.972
  411    HE   ARG  50           HE       ARG  50   0.909 -12.118   0.987
  412   HH11  ARG  50          HH11      ARG  50   3.817 -11.084  -0.675
  413   HH12  ARG  50          HH12      ARG  50   3.305 -11.689  -2.222
  414   HH21  ARG  50          HH21      ARG  50   0.225 -12.910  -1.053
  415   HH22  ARG  50          HH22      ARG  50   1.263 -12.718  -2.429
  416    H    SER  51           H        SER  51   5.140  -8.432   3.964
  417    HA   SER  51           HA       SER  51   3.207  -6.542   2.801
  418    HB2  SER  51           HB2      SER  51   5.907  -5.924   4.025
  419    HB3  SER  51           HB3      SER  51   4.721  -4.751   3.454
  420    HG   SER  51           HG       SER  51   4.862  -5.432   5.834
  421    H    ILE  52           H        ILE  52   3.499  -5.782   0.795
  422    HA   ILE  52           HA       ILE  52   5.777  -6.852  -0.754
  423    HB   ILE  52           HB       ILE  52   3.084  -5.946  -1.798
  424   HG12  ILE  52          HG12      ILE  52   4.084  -8.767  -1.344
  425   HG13  ILE  52          HG13      ILE  52   2.899  -7.941  -0.337
  426   HG21  ILE  52          HG21      ILE  52   5.302  -7.495  -3.131
  427   HG22  ILE  52          HG22      ILE  52   4.896  -5.805  -3.428
  428   HG23  ILE  52          HG23      ILE  52   3.751  -7.074  -3.858
  429   HD11  ILE  52          HD11      ILE  52   1.815  -9.465  -1.874
  430   HD12  ILE  52          HD12      ILE  52   2.567  -8.642  -3.245
  431   HD13  ILE  52          HD13      ILE  52   1.384  -7.795  -2.246
  432    H    CYS  53           H        CYS  53   6.859  -5.429  -2.215
  433    HA   CYS  53           HA       CYS  53   6.546  -2.608  -1.464
  434    HB2  CYS  53           HB2      CYS  53   8.769  -3.620  -1.068
  435    HB3  CYS  53           HB3      CYS  53   8.889  -3.996  -2.784
  436    H    ILE  54           H        ILE  54   5.773  -1.189  -2.873
  437    HA   ILE  54           HA       ILE  54   5.739  -1.923  -5.718
  438    HB   ILE  54           HB       ILE  54   3.512  -1.416  -3.942
  439   HG12  ILE  54          HG12      ILE  54   3.676  -2.267  -6.837
  440   HG13  ILE  54          HG13      ILE  54   3.718  -3.337  -5.440
  441   HG21  ILE  54          HG21      ILE  54   2.189   0.008  -5.451
  442   HG22  ILE  54          HG22      ILE  54   3.644   0.310  -6.402
  443   HG23  ILE  54          HG23      ILE  54   3.558   0.851  -4.724
  444   HD11  ILE  54          HD11      ILE  54   1.529  -3.330  -6.496
  445   HD12  ILE  54          HD12      ILE  54   1.404  -1.589  -6.243
  446   HD13  ILE  54          HD13      ILE  54   1.447  -2.681  -4.859
  447    H    HIS  55           H        HIS  55   5.979  -0.268  -7.202
  448    HA   HIS  55           HA       HIS  55   7.438   2.043  -6.431
  449    HB2  HIS  55           HB2      HIS  55   7.636   0.885  -8.643
  450    HB3  HIS  55           HB3      HIS  55   6.021   1.455  -9.050
  451    HD1  HIS  55           HD1      HIS  55   6.211   3.283 -10.684
  452    HD2  HIS  55           HD2      HIS  55   9.237   3.445  -7.837
  453    HE1  HIS  55           HE1      HIS  55   7.538   5.350 -11.217
  454    HE2  HIS  55           HE2      HIS  55   9.213   5.542  -9.344
  455    HA   PRO  56           HA       PRO  56   4.105   4.726  -5.109
  456    HB2  PRO  56           HB2      PRO  56   5.808   6.772  -6.475
  457    HB3  PRO  56           HB3      PRO  56   5.057   6.824  -4.874
  458    HG2  PRO  56           HG2      PRO  56   7.644   6.315  -5.098
  459    HG3  PRO  56           HG3      PRO  56   6.654   5.413  -3.936
  460    HD2  PRO  56           HD2      PRO  56   7.739   4.548  -6.577
  461    HD3  PRO  56           HD3      PRO  56   7.516   3.610  -5.088
  462    H    GLN  57           H        GLN  57   5.492   5.460  -8.309
  463    HA   GLN  57           HA       GLN  57   2.894   6.144  -9.361
  464    HB2  GLN  57           HB2      GLN  57   5.581   5.838 -10.720
  465    HB3  GLN  57           HB3      GLN  57   4.115   6.357 -11.534
  466    HG2  GLN  57           HG2      GLN  57   5.425   8.282 -11.054
  467    HG3  GLN  57           HG3      GLN  57   4.017   8.305  -9.998
  468   HE21  GLN  57          HE21      GLN  57   5.039   9.689  -8.551
  469   HE22  GLN  57          HE22      GLN  57   6.287   9.131  -7.487
  470    H    ASN  58           H        ASN  58   1.928   4.109  -8.789
  471    HA   ASN  58           HA       ASN  58   2.180   2.174 -10.958
  472    HB2  ASN  58           HB2      ASN  58   3.534   1.245  -9.152
  473    HB3  ASN  58           HB3      ASN  58   2.213   1.467  -8.013
  474   HD21  ASN  58          HD21      ASN  58   3.423  -0.417 -10.674
  475   HD22  ASN  58          HD22      ASN  58   2.298  -1.716 -10.508
  476    HA   PRO  59           HA       PRO  59  -2.179   2.788 -11.015
  477    HB2  PRO  59           HB2      PRO  59  -2.856   0.430 -12.278
  478    HB3  PRO  59           HB3      PRO  59  -2.274   1.880 -13.102
  479    HG2  PRO  59           HG2      PRO  59  -0.767  -0.574 -12.293
  480    HG3  PRO  59           HG3      PRO  59  -0.653   0.373 -13.790
  481    HD2  PRO  59           HD2      PRO  59   1.168   0.616 -11.842
  482    HD3  PRO  59           HD3      PRO  59   0.644   2.015 -12.799
  483    H    SER  60           H        SER  60  -0.892  -0.309  -9.868
  484    HA   SER  60           HA       SER  60  -3.345  -1.250  -8.817
  485    HB2  SER  60           HB2      SER  60  -0.532  -2.095  -8.111
  486    HB3  SER  60           HB3      SER  60  -2.008  -3.001  -7.771
  487    HG   SER  60           HG       SER  60  -2.168  -2.545 -10.297
  488    H    LEU  61           H        LEU  61  -0.701   0.626  -7.417
  489    HA   LEU  61           HA       LEU  61  -1.727   0.460  -4.743
  490    HB2  LEU  61           HB2      LEU  61   0.662   1.253  -5.787
  491    HB3  LEU  61           HB3      LEU  61  -0.089   2.802  -5.470
  492    HG   LEU  61           HG       LEU  61   1.332   2.153  -3.616
  493   HD11  LEU  61          HD11      LEU  61  -1.596   2.025  -2.930
  494   HD12  LEU  61          HD12      LEU  61  -0.600   3.472  -3.067
  495   HD13  LEU  61          HD13      LEU  61  -0.289   2.311  -1.782
  496   HD21  LEU  61          HD21      LEU  61   1.227  -0.258  -3.886
  497   HD22  LEU  61          HD22      LEU  61  -0.458  -0.256  -3.359
  498   HD23  LEU  61          HD23      LEU  61   0.821   0.215  -2.235
  499    H    SER  62           H        SER  62  -2.078   2.673  -7.453
  500    HA   SER  62           HA       SER  62  -3.419   4.710  -6.006
  501    HB2  SER  62           HB2      SER  62  -2.286   5.127  -8.155
  502    HB3  SER  62           HB3      SER  62  -3.471   4.112  -8.974
  503    HG   SER  62           HG       SER  62  -4.050   6.501  -7.544
  504    H    GLN  63           H        GLN  63  -4.639   2.122  -8.157
  505    HA   GLN  63           HA       GLN  63  -7.369   2.635  -7.721
  506    HB2  GLN  63           HB2      GLN  63  -7.809   0.432  -8.549
  507    HB3  GLN  63           HB3      GLN  63  -6.439   1.061  -9.455
  508    HG2  GLN  63           HG2      GLN  63  -4.912  -0.260  -8.153
  509    HG3  GLN  63           HG3      GLN  63  -6.217  -0.801  -7.105
  510   HE21  GLN  63          HE21      GLN  63  -6.528  -0.494 -10.579
  511   HE22  GLN  63          HE22      GLN  63  -6.643  -2.190 -10.899
  512    H    TRP  64           H        TRP  64  -4.914   1.090  -5.825
  513    HA   TRP  64           HA       TRP  64  -6.598  -0.248  -4.011
  514    HB2  TRP  64           HB2      TRP  64  -4.137  -0.693  -4.317
  515    HB3  TRP  64           HB3      TRP  64  -3.829   0.790  -3.418
  516    HD1  TRP  64           HD1      TRP  64  -3.105   0.124  -1.045
  517    HE1  TRP  64           HE1      TRP  64  -3.967  -1.506   0.748
  518    HE3  TRP  64           HE3      TRP  64  -6.828  -2.146  -3.721
  519    HZ2  TRP  64           HZ2      TRP  64  -5.959  -3.478   0.997
  520    HZ3  TRP  64           HZ3      TRP  64  -8.170  -3.880  -2.625
  521    HH2  TRP  64           HH2      TRP  64  -7.742  -4.534  -0.316
  522    H    PHE  65           H        PHE  65  -5.375   3.050  -4.150
  523    HA   PHE  65           HA       PHE  65  -6.012   3.943  -1.604
  524    HB2  PHE  65           HB2      PHE  65  -6.091   5.230  -4.316
  525    HB3  PHE  65           HB3      PHE  65  -6.792   6.093  -2.957
  526    HD1  PHE  65           HD1      PHE  65  -3.640   4.218  -3.702
  527    HD2  PHE  65           HD2      PHE  65  -5.457   7.673  -1.989
  528    HE1  PHE  65           HE1      PHE  65  -1.417   5.114  -3.141
  529    HE2  PHE  65           HE2      PHE  65  -3.235   8.556  -1.426
  530    HZ   PHE  65           HZ       PHE  65  -1.210   7.284  -1.998
  531    H    GLU  66           H        GLU  66  -8.130   3.859  -4.469
  532    HA   GLU  66           HA       GLU  66 -10.403   4.623  -2.899
  533    HB2  GLU  66           HB2      GLU  66 -10.224   3.635  -5.744
  534    HB3  GLU  66           HB3      GLU  66 -11.680   4.276  -4.991
  535    HG2  GLU  66           HG2      GLU  66 -10.529   6.418  -4.622
  536    HG3  GLU  66           HG3      GLU  66  -9.106   5.765  -5.440
  537    H    HIS  67           H        HIS  67  -9.110   1.585  -4.088
  538    HA   HIS  67           HA       HIS  67 -11.526   0.129  -3.564
  539    HB2  HIS  67           HB2      HIS  67  -8.741  -0.792  -4.256
  540    HB3  HIS  67           HB3      HIS  67 -10.079  -1.902  -3.976
  541    HD1  HIS  67           HD1      HIS  67  -8.910  -2.096  -6.690
  542    HD2  HIS  67           HD2      HIS  67 -11.869   0.679  -5.760
  543    HE1  HIS  67           HE1      HIS  67  -9.945  -1.435  -8.889
  544    HE2  HIS  67           HE2      HIS  67 -11.811   0.155  -8.289
  545    H    GLN  68           H        GLN  68  -8.545   0.739  -1.781
  546    HA   GLN  68           HA       GLN  68  -9.065  -1.143   0.279
  547    HB2  GLN  68           HB2      GLN  68  -6.854  -0.473   0.180
  548    HB3  GLN  68           HB3      GLN  68  -7.264   1.218  -0.048
  549    HG2  GLN  68           HG2      GLN  68  -7.652   1.549   2.214
  550    HG3  GLN  68           HG3      GLN  68  -7.780  -0.185   2.544
  551   HE21  GLN  68          HE21      GLN  68  -5.618   2.449   1.815
  552   HE22  GLN  68          HE22      GLN  68  -4.171   1.659   2.336
  553    H    GLU  69           H        GLU  69 -10.015   2.190  -0.275
  554    HA   GLU  69           HA       GLU  69 -11.182   2.743   2.209
  555    HB2  GLU  69           HB2      GLU  69 -10.916   4.468   0.501
  556    HB3  GLU  69           HB3      GLU  69 -12.047   3.633  -0.555
  557    HG2  GLU  69           HG2      GLU  69 -13.805   3.976   1.176
  558    HG3  GLU  69           HG3      GLU  69 -12.656   4.963   2.075
  559    H    ARG  70           H        ARG  70 -12.266   0.783  -0.473
  560    HA   ARG  70           HA       ARG  70 -14.829   0.314   0.898
  561    HB2  ARG  70           HB2      ARG  70 -15.675  -0.445  -1.307
  562    HB3  ARG  70           HB3      ARG  70 -15.173   1.240  -1.294
  563    HG2  ARG  70           HG2      ARG  70 -13.171   0.738  -2.469
  564    HG3  ARG  70           HG3      ARG  70 -13.428  -0.998  -2.279
  565    HD2  ARG  70           HD2      ARG  70 -15.218   0.869  -3.822
  566    HD3  ARG  70           HD3      ARG  70 -14.000  -0.190  -4.534
  567    HE   ARG  70           HE       ARG  70 -15.349  -2.041  -3.424
  568   HH11  ARG  70          HH11      ARG  70 -16.779   0.950  -4.573
  569   HH12  ARG  70          HH12      ARG  70 -18.330   0.226  -4.896
  570   HH21  ARG  70          HH21      ARG  70 -17.360  -2.989  -3.840
  571   HH22  ARG  70          HH22      ARG  70 -18.654  -2.028  -4.490
  572    H    LYS  71           H        LYS  71 -12.055  -1.065   1.116
  573    HA   LYS  71           HA       LYS  71 -13.152  -3.791   0.945
  574    HB2  LYS  71           HB2      LYS  71 -11.334  -2.989  -0.848
  575    HB3  LYS  71           HB3      LYS  71 -10.234  -3.398   0.458
  576    HG2  LYS  71           HG2      LYS  71 -11.049  -5.672   0.487
  577    HG3  LYS  71           HG3      LYS  71 -12.271  -5.278  -0.723
  578    HD2  LYS  71           HD2      LYS  71  -9.304  -5.003  -1.181
  579    HD3  LYS  71           HD3      LYS  71 -10.237  -6.435  -1.619
  580    HE2  LYS  71           HE2      LYS  71 -10.975  -3.691  -2.589
  581    HE3  LYS  71           HE3      LYS  71  -9.803  -4.695  -3.438
  582    HZ1  LYS  71           HZ1      LYS  71 -11.412  -6.273  -3.956
  583    HZ2  LYS  71           HZ2      LYS  71 -12.224  -4.797  -4.179
  584    HZ3  LYS  71           HZ3      LYS  71 -12.502  -5.711  -2.780
  585    H    LEU  72           H        LEU  72 -10.636  -4.906   2.003
  586    HA   LEU  72           HA       LEU  72  -9.772  -5.492   4.007
  587    HB2  LEU  72           HB2      LEU  72 -10.200  -2.550   4.492
  588    HB3  LEU  72           HB3      LEU  72  -9.487  -3.597   5.699
  589    HG   LEU  72           HG       LEU  72  -7.582  -4.033   4.256
  590   HD11  LEU  72          HD11      LEU  72  -8.920  -2.212   2.260
  591   HD12  LEU  72          HD12      LEU  72  -8.717  -3.956   2.083
  592   HD13  LEU  72          HD13      LEU  72  -7.302  -2.901   2.122
  593   HD21  LEU  72          HD21      LEU  72  -6.670  -1.759   4.172
  594   HD22  LEU  72          HD22      LEU  72  -7.503  -2.092   5.691
  595   HD23  LEU  72          HD23      LEU  72  -8.289  -1.118   4.448
  596    H    HIS  73           H        HIS  73 -11.956  -3.040   5.250
  597    HA   HIS  73           HA       HIS  73 -13.914  -4.905   6.217
  598    HB2  HIS  73           HB2      HIS  73 -11.908  -5.081   7.808
  599    HB3  HIS  73           HB3      HIS  73 -12.247  -3.421   8.271
  600    HD1  HIS  73           HD1      HIS  73 -13.240  -6.904   8.909
  601    HD2  HIS  73           HD2      HIS  73 -14.722  -3.100   9.715
  602    HE1  HIS  73           HE1      HIS  73 -14.955  -7.207  10.727
  603    HE2  HIS  73           HE2      HIS  73 -15.947  -4.918  11.085
  604    H    GLY  74           H        GLY  74 -13.307  -2.241   4.743
  605    HA2  GLY  74           HA2      GLY  74 -14.159  -0.110   4.570
  606    HA3  GLY  74           HA3      GLY  74 -15.505  -0.670   5.566
  607    H    THR  75           H        THR  75 -12.055   0.053   5.927
  608    HA   THR  75           HA       THR  75 -12.524   0.674   8.735
  609    HB   THR  75           HB       THR  75  -9.996   0.479   8.828
  610    HG1  THR  75           HG1      THR  75  -9.189   0.582   6.837
  611   HG21  THR  75          HG21      THR  75 -10.017  -1.963   8.706
  612   HG22  THR  75          HG22      THR  75 -11.540  -1.911   7.817
  613   HG23  THR  75          HG23      THR  75 -11.475  -1.359   9.492
  614    H    LEU  76           H        LEU  76 -10.565   2.127   9.489
  615    HA   LEU  76           HA       LEU  76  -9.314   3.994   9.475
  616    HB2  LEU  76           HB2      LEU  76 -10.184   4.262   6.615
  617    HB3  LEU  76           HB3      LEU  76  -9.059   5.347   7.407
  618    HG   LEU  76           HG       LEU  76  -8.638   2.384   7.012
  619   HD11  LEU  76          HD11      LEU  76  -7.380   4.762   5.658
  620   HD12  LEU  76          HD12      LEU  76  -8.490   3.606   4.923
  621   HD13  LEU  76          HD13      LEU  76  -6.891   3.081   5.447
  622   HD21  LEU  76          HD21      LEU  76  -6.405   2.808   7.885
  623   HD22  LEU  76          HD22      LEU  76  -7.631   3.261   9.072
  624   HD23  LEU  76          HD23      LEU  76  -6.809   4.507   8.133
  625    HA   PRO  77           HA       PRO  77 -12.207   6.991  10.799
  626    HB2  PRO  77           HB2      PRO  77 -10.475   8.803  11.694
  627    HB3  PRO  77           HB3      PRO  77 -10.510   7.185  12.404
  628    HG2  PRO  77           HG2      PRO  77  -8.659   8.255  10.310
  629    HG3  PRO  77           HG3      PRO  77  -8.261   7.386  11.806
  630    HD2  PRO  77           HD2      PRO  77  -8.448   6.148   9.391
  631    HD3  PRO  77           HD3      PRO  77  -8.841   5.341  10.925
  632    H    LYS  78           H        LYS  78 -11.718   9.765  10.724
  633    HA   LYS  78           HA       LYS  78 -12.201  10.466   7.999
  634    HB2  LYS  78           HB2      LYS  78 -11.752  12.048  10.506
  635    HB3  LYS  78           HB3      LYS  78 -11.724  12.852   8.943
  636    HG2  LYS  78           HG2      LYS  78 -14.018  11.305  10.133
  637    HG3  LYS  78           HG3      LYS  78 -13.909  13.055   9.933
  638    HD2  LYS  78           HD2      LYS  78 -13.607  12.550   7.436
  639    HD3  LYS  78           HD3      LYS  78 -14.194  10.935   7.828
  640    HE2  LYS  78           HE2      LYS  78 -15.648  13.540   8.260
  641    HE3  LYS  78           HE3      LYS  78 -16.022  12.313   7.054
  642    HZ1  LYS  78           HZ1      LYS  78 -16.505  10.766   8.887
  643    HZ2  LYS  78           HZ2      LYS  78 -17.524  12.123   8.888
  644    HZ3  LYS  78           HZ3      LYS  78 -16.247  12.022  10.003
  645    H    LEU  79           H        LEU  79 -10.300   9.433   7.094
  646    HA   LEU  79           HA       LEU  79  -7.827  10.913   7.519
  647    HB2  LEU  79           HB2      LEU  79  -8.399   8.381   5.989
  648    HB3  LEU  79           HB3      LEU  79  -6.832   9.167   6.020
  649    HG   LEU  79           HG       LEU  79  -8.282   7.945   8.364
  650   HD11  LEU  79          HD11      LEU  79  -6.357   6.440   8.418
  651   HD12  LEU  79          HD12      LEU  79  -5.713   7.219   6.973
  652   HD13  LEU  79          HD13      LEU  79  -7.233   6.330   6.891
  653   HD21  LEU  79          HD21      LEU  79  -5.651   9.422   8.286
  654   HD22  LEU  79          HD22      LEU  79  -6.301   8.542   9.675
  655   HD23  LEU  79          HD23      LEU  79  -7.135   9.972   9.069
  656    H    ASN  80           H        ASN  80  -6.887  12.119   6.040
  657    HA   ASN  80           HA       ASN  80  -7.588  12.165   3.299
  658    HB2  ASN  80           HB2      ASN  80  -8.262  14.623   3.338
  659    HB3  ASN  80           HB3      ASN  80  -9.494  13.458   3.820
  660   HD21  ASN  80          HD21      ASN  80 -10.280  13.490   5.883
  661   HD22  ASN  80          HD22      ASN  80  -9.843  14.687   7.059
  662    H    PHE  81           H        PHE  81  -5.260  11.653   4.067
  663    HA   PHE  81           HA       PHE  81  -3.561  13.881   4.608
  664    HB2  PHE  81           HB2      PHE  81  -2.998  11.094   3.555
  665    HB3  PHE  81           HB3      PHE  81  -1.734  12.267   3.928
  666    HD1  PHE  81           HD1      PHE  81  -1.579  13.120   6.315
  667    HD2  PHE  81           HD2      PHE  81  -3.909   9.740   5.198
  668    HE1  PHE  81           HE1      PHE  81  -1.585  12.354   8.652
  669    HE2  PHE  81           HE2      PHE  81  -3.919   8.972   7.533
  670    HZ   PHE  81           HZ       PHE  81  -2.757  10.278   9.264
  671    H    GLY  82           H        GLY  82  -5.349  14.386   2.450
  672    HA2  GLY  82           HA2      GLY  82  -5.439  15.226   0.326
  673    HA3  GLY  82           HA3      GLY  82  -3.679  15.231   0.311
  674    H    MET  83           H        MET  83  -3.035  12.727   0.591
  675    HA   MET  83           HA       MET  83  -3.808  11.482  -1.909
  676    HB2  MET  83           HB2      MET  83  -1.863  10.501   0.185
  677    HB3  MET  83           HB3      MET  83  -1.978   9.959  -1.482
  678    HG2  MET  83           HG2      MET  83  -1.111  11.995  -2.295
  679    HG3  MET  83           HG3      MET  83  -1.274  12.772  -0.725
  680    HE1  MET  83           HE1      MET  83   0.189  12.173   1.381
  681    HE2  MET  83           HE2      MET  83   1.451  10.940   1.391
  682    HE3  MET  83           HE3      MET  83  -0.243  10.468   1.226
  683    H    LEU  84           H        LEU  84  -3.408  10.491   1.407
  684    HA   LEU  84           HA       LEU  84  -5.088   8.188   1.079
  685    HB2  LEU  84           HB2      LEU  84  -3.615   9.329   3.441
  686    HB3  LEU  84           HB3      LEU  84  -4.596   7.883   3.539
  687    HG   LEU  84           HG       LEU  84  -2.420   7.085   3.335
  688   HD11  LEU  84          HD11      LEU  84  -3.950   5.990   1.790
  689   HD12  LEU  84          HD12      LEU  84  -2.302   6.008   1.163
  690   HD13  LEU  84          HD13      LEU  84  -3.501   7.135   0.526
  691   HD21  LEU  84          HD21      LEU  84  -1.950   9.091   1.137
  692   HD22  LEU  84          HD22      LEU  84  -0.792   7.887   1.700
  693   HD23  LEU  84          HD23      LEU  84  -1.319   9.175   2.783
  694    H    ARG  85           H        ARG  85  -6.791   9.957   0.448
  695    HA   ARG  85           HA       ARG  85  -8.319  11.047   2.589
  696    HB2  ARG  85           HB2      ARG  85  -9.503  10.319  -0.067
  697    HB3  ARG  85           HB3      ARG  85  -9.766  11.743   0.931
  698    HG2  ARG  85           HG2      ARG  85  -7.579  12.609   0.316
  699    HG3  ARG  85           HG3      ARG  85  -7.282  11.162  -0.663
  700    HD2  ARG  85           HD2      ARG  85  -8.009  13.114  -2.004
  701    HD3  ARG  85           HD3      ARG  85  -9.101  11.737  -2.136
  702    HE   ARG  85           HE       ARG  85  -9.822  13.720  -0.141
  703   HH11  ARG  85          HH11      ARG  85 -10.188  12.647  -3.449
  704   HH12  ARG  85          HH12      ARG  85 -11.741  13.388  -3.662
  705   HH21  ARG  85          HH21      ARG  85 -11.848  14.707  -0.399
  706   HH22  ARG  85          HH22      ARG  85 -12.686  14.583  -1.917
  707    H    LYS  86           H        LYS  86  -8.293   9.021   3.916
  708    HA   LYS  86           HA       LYS  86  -9.213   7.112   4.759
  709    HB2  LYS  86           HB2      LYS  86 -11.426   7.927   2.897
  710    HB3  LYS  86           HB3      LYS  86 -11.499   6.420   3.796
  711    HG2  LYS  86           HG2      LYS  86 -11.248   7.710   5.892
  712    HG3  LYS  86           HG3      LYS  86 -11.334   9.194   4.937
  713    HD2  LYS  86           HD2      LYS  86 -13.507   8.512   5.965
  714    HD3  LYS  86           HD3      LYS  86 -13.559   8.669   4.208
  715    HE2  LYS  86           HE2      LYS  86 -14.732   6.667   4.837
  716    HE3  LYS  86           HE3      LYS  86 -13.230   6.220   4.028
  717    HZ1  LYS  86           HZ1      LYS  86 -12.250   5.905   6.273
  718    HZ2  LYS  86           HZ2      LYS  86 -13.500   4.825   5.913
  719    HZ3  LYS  86           HZ3      LYS  86 -13.783   6.138   6.941
  720    H    MET  87           H        MET  87  -7.679   7.355   2.175
  721    HA   MET  87           HA       MET  87  -8.413   4.887   0.800
  722    HB2  MET  87           HB2      MET  87  -6.536   7.139   0.045
  723    HB3  MET  87           HB3      MET  87  -6.884   5.740  -0.963
  724    HG2  MET  87           HG2      MET  87  -9.199   6.395  -1.141
  725    HG3  MET  87           HG3      MET  87  -8.933   7.738  -0.034
  726    HE1  MET  87           HE1      MET  87 -10.366   8.167  -2.780
  727    HE2  MET  87           HE2      MET  87  -9.561   9.624  -3.361
  728    HE3  MET  87           HE3      MET  87  -9.988   9.472  -1.656
  729    H    GLY  88           H        GLY  88  -6.552   5.816   3.278
  730    HA2  GLY  88           HA2      GLY  88  -5.121   3.450   3.501
  731    HA3  GLY  88           HA3      GLY  88  -4.047   4.645   2.781
  Start of MODEL   27
    1    H1   PHE   1           HT1      PHE   1  13.089 -14.707   4.666
    2    H2   PHE   1           HT2      PHE   1  13.470 -13.790   6.047
    3    H3   PHE   1           HT3      PHE   1  14.703 -14.315   5.017
    4    HA   PHE   1           HA       PHE   1  14.217 -11.966   4.720
    5    HB2  PHE   1           HB2      PHE   1  15.056 -13.319   2.821
    6    HB3  PHE   1           HB3      PHE   1  13.392 -13.673   2.365
    7    HD1  PHE   1           HD1      PHE   1  15.669 -10.791   2.973
    8    HD2  PHE   1           HD2      PHE   1  12.335 -12.328   0.822
    9    HE1  PHE   1           HE1      PHE   1  15.605  -8.741   1.614
   10    HE2  PHE   1           HE2      PHE   1  12.265 -10.282  -0.544
   11    HZ   PHE   1           HZ       PHE   1  13.903  -8.485  -0.148
   12    H    LEU   2           H        LEU   2  12.729 -10.609   5.266
   13    HA   LEU   2           HA       LEU   2  10.216 -10.615   3.843
   14    HB2  LEU   2           HB2      LEU   2   9.689 -11.950   5.845
   15    HB3  LEU   2           HB3      LEU   2  10.290 -10.659   6.866
   16    HG   LEU   2           HG       LEU   2   8.488  -9.182   5.996
   17   HD11  LEU   2          HD11      LEU   2   8.119 -10.295   3.858
   18   HD12  LEU   2          HD12      LEU   2   6.622 -10.181   4.786
   19   HD13  LEU   2          HD13      LEU   2   7.492 -11.713   4.699
   20   HD21  LEU   2          HD21      LEU   2   8.218 -10.356   8.102
   21   HD22  LEU   2          HD22      LEU   2   7.585 -11.766   7.250
   22   HD23  LEU   2          HD23      LEU   2   6.679 -10.252   7.246
   23    H    LEU   3           H        LEU   3   9.554  -8.538   3.472
   24    HA   LEU   3           HA       LEU   3  11.140  -6.350   4.384
   25    HB2  LEU   3           HB2      LEU   3   8.532  -6.564   2.902
   26    HB3  LEU   3           HB3      LEU   3   9.079  -5.014   3.507
   27    HG   LEU   3           HG       LEU   3   9.681  -5.198   1.191
   28   HD11  LEU   3          HD11      LEU   3  11.265  -4.050   2.630
   29   HD12  LEU   3          HD12      LEU   3  12.103  -4.888   1.323
   30   HD13  LEU   3          HD13      LEU   3  12.100  -5.571   2.950
   31   HD21  LEU   3          HD21      LEU   3  11.138  -7.730   1.934
   32   HD22  LEU   3          HD22      LEU   3  11.171  -6.943   0.355
   33   HD23  LEU   3          HD23      LEU   3   9.665  -7.623   0.972
   34    HA   PRO   4           HA       PRO   4   9.490  -6.707   8.484
   35    HB2  PRO   4           HB2      PRO   4  10.665  -3.982   8.713
   36    HB3  PRO   4           HB3      PRO   4  10.885  -5.397   9.750
   37    HG2  PRO   4           HG2      PRO   4  12.792  -4.640   8.045
   38    HG3  PRO   4           HG3      PRO   4  12.448  -6.355   8.335
   39    HD2  PRO   4           HD2      PRO   4  11.737  -4.647   5.997
   40    HD3  PRO   4           HD3      PRO   4  12.175  -6.373   6.050
   41    HA   PRO   5           HA       PRO   5   5.606  -4.664   7.851
   42    HB2  PRO   5           HB2      PRO   5   5.313  -5.359  10.731
   43    HB3  PRO   5           HB3      PRO   5   4.237  -5.708   9.374
   44    HG2  PRO   5           HG2      PRO   5   5.733  -7.628  10.423
   45    HG3  PRO   5           HG3      PRO   5   5.513  -7.517   8.665
   46    HD2  PRO   5           HD2      PRO   5   7.853  -6.693  10.341
   47    HD3  PRO   5           HD3      PRO   5   7.827  -7.500   8.758
   48    H    SER   6           H        SER   6   5.395  -2.531   7.822
   49    HA   SER   6           HA       SER   6   5.245  -0.370   8.456
   50    HB2  SER   6           HB2      SER   6   5.607  -1.426  11.269
   51    HB3  SER   6           HB3      SER   6   5.069   0.200  10.839
   52    HG   SER   6           HG       SER   6   3.307  -0.875   9.689
   53    H    THR   7           H        THR   7   7.856  -2.022   8.215
   54    HA   THR   7           HA       THR   7   9.629   0.204   8.992
   55    HB   THR   7           HB       THR   7  10.475  -2.623   8.359
   56    HG1  THR   7           HG1      THR   7   9.104  -1.991  10.416
   57   HG21  THR   7          HG21      THR   7  12.562  -1.962   9.479
   58   HG22  THR   7          HG22      THR   7  11.907  -0.341   9.729
   59   HG23  THR   7          HG23      THR   7  12.215  -0.927   8.093
   60    H    ALA   8           H        ALA   8   9.230   1.402   7.148
   61    HA   ALA   8           HA       ALA   8   9.171   0.090   4.576
   62    HB1  ALA   8           HB1      ALA   8   8.441   2.224   3.701
   63    HB2  ALA   8           HB2      ALA   8   8.796   3.003   5.245
   64    HB3  ALA   8           HB3      ALA   8   7.509   1.801   5.136
   65    H    CYS   9           H        CYS   9  11.290  -0.556   4.258
   66    HA   CYS   9           HA       CYS   9  12.796   1.579   2.974
   67    HB2  CYS   9           HB2      CYS   9  13.921   1.212   5.163
   68    HB3  CYS   9           HB3      CYS   9  14.157  -0.478   4.725
   69    H    CYS  10           H        CYS  10  12.055   0.819   1.055
   70    HA   CYS  10           HA       CYS  10  12.829  -1.923   0.326
   71    HB2  CYS  10           HB2      CYS  10  10.654  -0.185  -0.858
   72    HB3  CYS  10           HB3      CYS  10  11.050  -1.823  -1.365
   73    H    THR  11           H        THR  11  14.576  -1.962  -0.911
   74    HA   THR  11           HA       THR  11  15.134   0.278  -2.687
   75    HB   THR  11           HB       THR  11  17.282  -1.010  -3.125
   76    HG1  THR  11           HG1      THR  11  17.762  -2.632  -1.549
   77   HG21  THR  11          HG21      THR  11  16.673  -0.197  -0.280
   78   HG22  THR  11          HG22      THR  11  17.185   0.881  -1.579
   79   HG23  THR  11          HG23      THR  11  18.283  -0.362  -0.980
   80    H    GLN  12           H        GLN  12  14.055  -2.998  -2.703
   81    HA   GLN  12           HA       GLN  12  13.920  -2.950  -5.620
   82    HB2  GLN  12           HB2      GLN  12  13.126  -5.391  -5.260
   83    HB3  GLN  12           HB3      GLN  12  14.827  -5.008  -5.085
   84    HG2  GLN  12           HG2      GLN  12  14.109  -6.543  -3.363
   85    HG3  GLN  12           HG3      GLN  12  14.586  -5.003  -2.657
   86   HE21  GLN  12          HE21      GLN  12  13.137  -3.884  -1.457
   87   HE22  GLN  12          HE22      GLN  12  11.507  -4.377  -1.189
   88    H    LEU  13           H        LEU  13  11.877  -3.674  -6.629
   89    HA   LEU  13           HA       LEU  13   9.528  -2.991  -4.997
   90    HB2  LEU  13           HB2      LEU  13  10.156  -1.899  -7.746
   91    HB3  LEU  13           HB3      LEU  13   8.636  -1.672  -6.903
   92    HG   LEU  13           HG       LEU  13  11.300  -0.659  -5.907
   93   HD11  LEU  13          HD11      LEU  13  10.629   0.445  -7.989
   94   HD12  LEU  13          HD12      LEU  13  10.541   1.540  -6.609
   95   HD13  LEU  13          HD13      LEU  13   9.065   0.838  -7.274
   96   HD21  LEU  13          HD21      LEU  13   9.926   0.658  -4.367
   97   HD22  LEU  13          HD22      LEU  13   9.675  -1.072  -4.137
   98   HD23  LEU  13          HD23      LEU  13   8.472  -0.114  -5.002
   99    H    TYR  14           H        TYR  14   7.560  -3.904  -5.705
  100    HA   TYR  14           HA       TYR  14   7.754  -6.414  -7.035
  101    HB2  TYR  14           HB2      TYR  14   6.031  -5.682  -5.279
  102    HB3  TYR  14           HB3      TYR  14   5.205  -4.853  -6.593
  103    HD1  TYR  14           HD2      TYR  14   4.235  -6.195  -8.470
  104    HD2  TYR  14           HD1      TYR  14   5.855  -8.030  -4.991
  105    HE1  TYR  14           HE2      TYR  14   3.038  -8.271  -9.014
  106    HE2  TYR  14           HE1      TYR  14   4.662 -10.111  -5.525
  107    HH   TYR  14           HH       TYR  14   3.306 -10.742  -8.518
  108    H    ARG  15           H        ARG  15   6.594  -3.218  -7.933
  109    HA   ARG  15           HA       ARG  15   6.611  -2.103  -9.900
  110    HB2  ARG  15           HB2      ARG  15   7.822  -4.605 -11.076
  111    HB3  ARG  15           HB3      ARG  15   7.719  -3.041 -11.875
  112    HG2  ARG  15           HG2      ARG  15   9.156  -2.065 -10.163
  113    HG3  ARG  15           HG3      ARG  15   9.250  -3.627  -9.348
  114    HD2  ARG  15           HD2      ARG  15  10.272  -4.588 -11.371
  115    HD3  ARG  15           HD3      ARG  15  10.224  -2.997 -12.131
  116    HE   ARG  15           HE       ARG  15  11.767  -3.541  -9.668
  117   HH11  ARG  15          HH11      ARG  15  11.488  -2.185 -12.881
  118   HH12  ARG  15          HH12      ARG  15  13.043  -1.411 -12.831
  119   HH21  ARG  15          HH21      ARG  15  13.820  -2.536  -9.601
  120   HH22  ARG  15          HH22      ARG  15  14.374  -1.630 -10.972
  121    H    LYS  16           H        LYS  16   5.472  -5.442 -10.192
  122    HA   LYS  16           HA       LYS  16   3.630  -4.712 -12.303
  123    HB2  LYS  16           HB2      LYS  16   4.130  -7.332 -10.881
  124    HB3  LYS  16           HB3      LYS  16   3.011  -7.129 -12.223
  125    HG2  LYS  16           HG2      LYS  16   5.983  -6.651 -12.319
  126    HG3  LYS  16           HG3      LYS  16   5.135  -8.057 -12.967
  127    HD2  LYS  16           HD2      LYS  16   3.955  -6.668 -14.550
  128    HD3  LYS  16           HD3      LYS  16   4.655  -5.210 -13.843
  129    HE2  LYS  16           HE2      LYS  16   5.809  -5.795 -15.897
  130    HE3  LYS  16           HE3      LYS  16   6.888  -5.966 -14.515
  131    HZ1  LYS  16           HZ1      LYS  16   5.420  -8.230 -15.755
  132    HZ2  LYS  16           HZ2      LYS  16   6.644  -8.320 -14.580
  133    HZ3  LYS  16           HZ3      LYS  16   7.013  -7.804 -16.153
  134    HA   PRO  17           HA       PRO  17  -0.007  -4.005  -9.922
  135    HB2  PRO  17           HB2      PRO  17  -1.508  -5.852 -11.673
  136    HB3  PRO  17           HB3      PRO  17  -1.739  -4.123 -11.399
  137    HG2  PRO  17           HG2      PRO  17  -0.720  -5.028 -13.696
  138    HG3  PRO  17           HG3      PRO  17  -0.129  -3.526 -12.956
  139    HD2  PRO  17           HD2      PRO  17   1.096  -6.264 -12.925
  140    HD3  PRO  17           HD3      PRO  17   1.875  -4.685 -13.165
  141    H    LEU  18           H        LEU  18  -1.278  -4.843  -8.313
  142    HA   LEU  18           HA       LEU  18  -0.817  -7.650  -7.614
  143    HB2  LEU  18           HB2      LEU  18  -1.849  -5.348  -5.948
  144    HB3  LEU  18           HB3      LEU  18  -1.666  -6.989  -5.368
  145    HG   LEU  18           HG       LEU  18   0.564  -5.149  -6.243
  146   HD11  LEU  18          HD11      LEU  18  -0.212  -6.226  -3.532
  147   HD12  LEU  18          HD12      LEU  18  -0.322  -4.550  -4.072
  148   HD13  LEU  18          HD13      LEU  18   1.256  -5.314  -3.880
  149   HD21  LEU  18          HD21      LEU  18   1.078  -7.433  -6.857
  150   HD22  LEU  18          HD22      LEU  18   0.663  -7.987  -5.234
  151   HD23  LEU  18          HD23      LEU  18   2.060  -6.936  -5.479
  152    H    SER  19           H        SER  19  -2.609  -8.946  -6.887
  153    HA   SER  19           HA       SER  19  -5.029  -8.368  -8.398
  154    HB2  SER  19           HB2      SER  19  -4.254 -10.879  -6.904
  155    HB3  SER  19           HB3      SER  19  -5.579 -10.712  -8.056
  156    HG   SER  19           HG       SER  19  -3.924 -10.152  -9.631
  157    H    ASP  20           H        ASP  20  -7.110  -8.364  -7.509
  158    HA   ASP  20           HA       ASP  20  -7.464  -7.115  -5.050
  159    HB2  ASP  20           HB2      ASP  20  -9.309  -8.609  -6.864
  160    HB3  ASP  20           HB3      ASP  20  -9.884  -8.099  -5.282
  161    H    LYS  21           H        LYS  21  -7.266 -10.499  -5.795
  162    HA   LYS  21           HA       LYS  21  -8.438 -11.570  -3.493
  163    HB2  LYS  21           HB2      LYS  21  -6.200 -12.711  -5.177
  164    HB3  LYS  21           HB3      LYS  21  -7.185 -13.616  -4.034
  165    HG2  LYS  21           HG2      LYS  21  -9.163 -13.205  -5.362
  166    HG3  LYS  21           HG3      LYS  21  -8.235 -12.209  -6.481
  167    HD2  LYS  21           HD2      LYS  21  -8.394 -14.268  -7.564
  168    HD3  LYS  21           HD3      LYS  21  -6.790 -14.300  -6.833
  169    HE2  LYS  21           HE2      LYS  21  -9.244 -15.535  -5.592
  170    HE3  LYS  21           HE3      LYS  21  -8.099 -16.420  -6.594
  171    HZ1  LYS  21           HZ1      LYS  21  -7.531 -15.113  -3.987
  172    HZ2  LYS  21           HZ2      LYS  21  -6.354 -15.836  -4.971
  173    HZ3  LYS  21           HZ3      LYS  21  -7.595 -16.779  -4.295
  174    H    LEU  22           H        LEU  22  -5.033 -10.739  -4.147
  175    HA   LEU  22           HA       LEU  22  -4.264 -11.381  -1.465
  176    HB2  LEU  22           HB2      LEU  22  -2.090 -10.512  -2.016
  177    HB3  LEU  22           HB3      LEU  22  -2.659 -11.530  -3.318
  178    HG   LEU  22           HG       LEU  22  -3.366  -9.273  -4.425
  179   HD11  LEU  22          HD11      LEU  22  -2.938  -7.835  -2.514
  180   HD12  LEU  22          HD12      LEU  22  -1.856  -7.424  -3.844
  181   HD13  LEU  22          HD13      LEU  22  -1.253  -8.355  -2.476
  182   HD21  LEU  22          HD21      LEU  22  -0.513 -10.207  -4.177
  183   HD22  LEU  22          HD22      LEU  22  -1.099  -9.090  -5.406
  184   HD23  LEU  22          HD23      LEU  22  -1.710 -10.746  -5.356
  185    H    LEU  23           H        LEU  23  -5.472  -8.589  -3.116
  186    HA   LEU  23           HA       LEU  23  -4.556  -6.594  -1.363
  187    HB2  LEU  23           HB2      LEU  23  -6.907  -6.663  -3.235
  188    HB3  LEU  23           HB3      LEU  23  -6.455  -5.236  -2.323
  189    HG   LEU  23           HG       LEU  23  -4.702  -6.624  -4.356
  190   HD11  LEU  23          HD11      LEU  23  -6.230  -4.032  -4.527
  191   HD12  LEU  23          HD12      LEU  23  -6.599  -5.513  -5.409
  192   HD13  LEU  23          HD13      LEU  23  -5.099  -4.640  -5.736
  193   HD21  LEU  23          HD21      LEU  23  -3.411  -5.535  -2.595
  194   HD22  LEU  23          HD22      LEU  23  -4.313  -4.041  -2.846
  195   HD23  LEU  23          HD23      LEU  23  -3.263  -4.660  -4.118
  196    H    ARG  24           H        ARG  24  -7.246  -8.802  -1.091
  197    HA   ARG  24           HA       ARG  24  -8.771  -7.293   0.768
  198    HB2  ARG  24           HB2      ARG  24  -9.981  -9.323   1.221
  199    HB3  ARG  24           HB3      ARG  24  -9.653  -9.242  -0.506
  200    HG2  ARG  24           HG2      ARG  24  -7.890 -10.847  -0.312
  201    HG3  ARG  24           HG3      ARG  24  -8.012 -10.827   1.451
  202    HD2  ARG  24           HD2      ARG  24 -10.168 -11.733  -0.452
  203    HD3  ARG  24           HD3      ARG  24  -9.104 -12.795   0.470
  204    HE   ARG  24           HE       ARG  24 -10.146 -11.539   2.479
  205   HH11  ARG  24          HH11      ARG  24 -11.803 -12.381  -0.492
  206   HH12  ARG  24          HH12      ARG  24 -13.362 -12.534   0.269
  207   HH21  ARG  24          HH21      ARG  24 -12.184 -11.726   3.484
  208   HH22  ARG  24          HH22      ARG  24 -13.576 -12.162   2.540
  209    H    LYS  25           H        LYS  25  -5.776  -8.599   1.070
  210    HA   LYS  25           HA       LYS  25  -6.018  -9.066   3.957
  211    HB2  LYS  25           HB2      LYS  25  -3.889  -9.941   2.036
  212    HB3  LYS  25           HB3      LYS  25  -3.846 -10.224   3.770
  213    HG2  LYS  25           HG2      LYS  25  -6.004 -11.476   3.527
  214    HG3  LYS  25           HG3      LYS  25  -5.802 -11.346   1.778
  215    HD2  LYS  25           HD2      LYS  25  -3.860 -12.640   3.690
  216    HD3  LYS  25           HD3      LYS  25  -4.972 -13.490   2.614
  217    HE2  LYS  25           HE2      LYS  25  -2.923 -11.539   1.618
  218    HE3  LYS  25           HE3      LYS  25  -2.570 -13.254   1.823
  219    HZ1  LYS  25           HZ1      LYS  25  -4.642 -12.078   0.052
  220    HZ2  LYS  25           HZ2      LYS  25  -4.432 -13.738   0.308
  221    HZ3  LYS  25           HZ3      LYS  25  -3.206 -12.835  -0.441
  222    H    VAL  26           H        VAL  26  -5.121  -6.708   1.808
  223    HA   VAL  26           HA       VAL  26  -2.770  -5.775   3.205
  224    HB   VAL  26           HB       VAL  26  -4.397  -4.245   1.170
  225   HG11  VAL  26          HG11      VAL  26  -2.293  -3.041   0.801
  226   HG12  VAL  26          HG12      VAL  26  -1.534  -3.995   2.075
  227   HG13  VAL  26          HG13      VAL  26  -2.851  -2.890   2.467
  228   HG21  VAL  26          HG21      VAL  26  -2.868  -5.059  -0.526
  229   HG22  VAL  26          HG22      VAL  26  -3.686  -6.413   0.255
  230   HG23  VAL  26          HG23      VAL  26  -2.018  -6.031   0.675
  231    H    ILE  27           H        ILE  27  -3.367  -5.401   5.262
  232    HA   ILE  27           HA       ILE  27  -5.844  -4.267   6.019
  233    HB   ILE  27           HB       ILE  27  -4.921  -4.259   8.306
  234   HG12  ILE  27          HG12      ILE  27  -2.387  -5.197   6.936
  235   HG13  ILE  27          HG13      ILE  27  -2.602  -3.675   7.787
  236   HG21  ILE  27          HG21      ILE  27  -5.951  -6.267   7.467
  237   HG22  ILE  27          HG22      ILE  27  -4.552  -6.703   8.449
  238   HG23  ILE  27          HG23      ILE  27  -4.447  -6.757   6.689
  239   HD11  ILE  27          HD11      ILE  27  -2.735  -6.407   9.027
  240   HD12  ILE  27          HD12      ILE  27  -2.890  -4.869   9.879
  241   HD13  ILE  27          HD13      ILE  27  -1.363  -5.303   9.106
  242    H    GLN  28           H        GLN  28  -2.689  -2.858   5.427
  243    HA   GLN  28           HA       GLN  28  -3.824  -0.213   5.759
  244    HB2  GLN  28           HB2      GLN  28  -1.526  -1.173   7.465
  245    HB3  GLN  28           HB3      GLN  28  -1.862   0.530   7.188
  246    HG2  GLN  28           HG2      GLN  28  -4.106   0.212   8.157
  247    HG3  GLN  28           HG3      GLN  28  -3.695  -1.466   8.497
  248   HE21  GLN  28          HE21      GLN  28  -4.453   0.655  10.313
  249   HE22  GLN  28          HE22      GLN  28  -3.157   0.812  11.445
  250    H    VAL  29           H        VAL  29  -2.438   1.485   4.950
  251    HA   VAL  29           HA       VAL  29  -0.450   0.489   3.020
  252    HB   VAL  29           HB       VAL  29  -2.134   2.991   2.780
  253   HG11  VAL  29          HG11      VAL  29  -1.264   3.083   0.485
  254   HG12  VAL  29          HG12      VAL  29  -0.232   1.695   0.830
  255   HG13  VAL  29          HG13      VAL  29   0.023   3.216   1.684
  256   HG21  VAL  29          HG21      VAL  29  -3.301   1.811   0.971
  257   HG22  VAL  29          HG22      VAL  29  -3.513   1.008   2.529
  258   HG23  VAL  29          HG23      VAL  29  -2.383   0.350   1.344
  259    H    GLU  30           H        GLU  30   1.561   1.153   3.325
  260    HA   GLU  30           HA       GLU  30   2.037   3.635   4.828
  261    HB2  GLU  30           HB2      GLU  30   4.128   2.408   5.698
  262    HB3  GLU  30           HB3      GLU  30   2.576   1.990   6.408
  263    HG2  GLU  30           HG2      GLU  30   2.563   0.123   4.585
  264    HG3  GLU  30           HG3      GLU  30   4.305   0.409   4.566
  265    H    LEU  31           H        LEU  31   4.434   4.373   4.433
  266    HA   LEU  31           HA       LEU  31   5.295   3.668   1.737
  267    HB2  LEU  31           HB2      LEU  31   5.178   5.828   0.812
  268    HB3  LEU  31           HB3      LEU  31   3.608   5.511   1.516
  269    HG   LEU  31           HG       LEU  31   5.701   7.138   2.955
  270   HD11  LEU  31          HD11      LEU  31   3.536   8.139   1.112
  271   HD12  LEU  31          HD12      LEU  31   5.270   8.181   0.791
  272   HD13  LEU  31          HD13      LEU  31   4.595   9.135   2.112
  273   HD21  LEU  31          HD21      LEU  31   3.768   8.038   4.142
  274   HD22  LEU  31          HD22      LEU  31   3.864   6.286   4.319
  275   HD23  LEU  31          HD23      LEU  31   2.697   6.995   3.202
  276    H    GLN  32           H        GLN  32   7.367   3.929   1.340
  277    HA   GLN  32           HA       GLN  32   9.153   4.806   3.443
  278    HB2  GLN  32           HB2      GLN  32   9.713   2.820   2.105
  279    HB3  GLN  32           HB3      GLN  32   9.670   3.783   0.637
  280    HG2  GLN  32           HG2      GLN  32  11.554   5.134   1.556
  281    HG3  GLN  32           HG3      GLN  32  11.652   3.986   2.891
  282   HE21  GLN  32          HE21      GLN  32  10.868   3.137  -0.403
  283   HE22  GLN  32          HE22      GLN  32  12.313   2.242  -0.729
  284    H    GLU  33           H        GLU  33   9.608   6.918   3.637
  285    HA   GLU  33           HA       GLU  33   9.064   8.773   1.519
  286    HB2  GLU  33           HB2      GLU  33  10.560   9.211   4.112
  287    HB3  GLU  33           HB3      GLU  33   9.929  10.469   3.058
  288    HG2  GLU  33           HG2      GLU  33   7.648   9.637   3.477
  289    HG3  GLU  33           HG3      GLU  33   8.314   8.448   4.595
  290    H    ALA  34           H        ALA  34  10.686  10.188   0.548
  291    HA   ALA  34           HA       ALA  34  12.741   8.532  -0.576
  292    HB1  ALA  34           HB1      ALA  34  12.134  11.443  -1.068
  293    HB2  ALA  34           HB2      ALA  34  11.415  10.082  -1.930
  294    HB3  ALA  34           HB3      ALA  34  13.144  10.404  -2.073
  295    H    ASP  35           H        ASP  35  12.986   9.440   2.263
  296    HA   ASP  35           HA       ASP  35  15.699   9.691   2.548
  297    HB2  ASP  35           HB2      ASP  35  15.539  11.891   1.454
  298    HB3  ASP  35           HB3      ASP  35  14.360  12.411   2.657
  299    H    GLY  36           H        GLY  36  12.500  10.227   3.642
  300    HA2  GLY  36           HA2      GLY  36  12.882  10.826   6.342
  301    HA3  GLY  36           HA3      GLY  36  11.476  10.015   5.676
  302    H    ASP  37           H        ASP  37  13.288   7.807   4.675
  303    HA   ASP  37           HA       ASP  37  14.087   6.606   7.229
  304    HB2  ASP  37           HB2      ASP  37  11.726   5.873   6.194
  305    HB3  ASP  37           HB3      ASP  37  12.767   4.813   5.251
  306    H    CYS  38           H        CYS  38  13.926   5.936   3.741
  307    HA   CYS  38           HA       CYS  38  16.830   5.566   3.760
  308    HB2  CYS  38           HB2      CYS  38  14.794   3.758   2.444
  309    HB3  CYS  38           HB3      CYS  38  16.515   3.722   2.063
  310    H    HIS  39           H        HIS  39  17.336   5.308   1.057
  311    HA   HIS  39           HA       HIS  39  16.998   8.138   0.557
  312    HB2  HIS  39           HB2      HIS  39  18.765   7.934  -1.081
  313    HB3  HIS  39           HB3      HIS  39  19.225   7.149   0.421
  314    HD1  HIS  39           HD1      HIS  39  20.683   5.253  -0.196
  315    HD2  HIS  39           HD2      HIS  39  17.427   5.578  -2.765
  316    HE1  HIS  39           HE1      HIS  39  20.885   3.325  -1.796
  317    HE2  HIS  39           HE2      HIS  39  19.019   3.659  -3.458
  318    H    LEU  40           H        LEU  40  14.822   6.006  -0.208
  319    HA   LEU  40           HA       LEU  40  14.217   7.376  -2.705
  320    HB2  LEU  40           HB2      LEU  40  13.819   5.462  -4.004
  321    HB3  LEU  40           HB3      LEU  40  15.401   5.234  -3.288
  322    HG   LEU  40           HG       LEU  40  13.149   4.071  -1.780
  323   HD11  LEU  40          HD11      LEU  40  12.430   3.609  -4.050
  324   HD12  LEU  40          HD12      LEU  40  13.001   2.132  -3.271
  325   HD13  LEU  40          HD13      LEU  40  14.024   2.963  -4.442
  326   HD21  LEU  40          HD21      LEU  40  14.760   2.225  -1.562
  327   HD22  LEU  40          HD22      LEU  40  15.446   3.771  -1.064
  328   HD23  LEU  40          HD23      LEU  40  15.870   3.084  -2.631
  329    H    GLN  41           H        GLN  41  11.983   6.850  -3.464
  330    HA   GLN  41           HA       GLN  41  10.236   6.639  -1.109
  331    HB2  GLN  41           HB2      GLN  41  10.107   8.762  -2.348
  332    HB3  GLN  41           HB3      GLN  41   9.687   7.881  -3.811
  333    HG2  GLN  41           HG2      GLN  41   7.661   7.039  -2.671
  334    HG3  GLN  41           HG3      GLN  41   8.064   8.052  -1.285
  335   HE21  GLN  41          HE21      GLN  41   5.705   8.141  -2.980
  336   HE22  GLN  41          HE22      GLN  41   5.644   9.739  -3.650
  337    H    ALA  42           H        ALA  42   8.829   5.023  -0.950
  338    HA   ALA  42           HA       ALA  42   7.856   3.627  -3.298
  339    HB1  ALA  42           HB1      ALA  42   8.558   1.434  -2.616
  340    HB2  ALA  42           HB2      ALA  42   9.296   2.078  -1.151
  341    HB3  ALA  42           HB3      ALA  42   9.988   2.464  -2.728
  342    H    PHE  43           H        PHE  43   5.778   3.027  -2.966
  343    HA   PHE  43           HA       PHE  43   4.696   3.318  -0.292
  344    HB2  PHE  43           HB2      PHE  43   3.465   2.827  -2.992
  345    HB3  PHE  43           HB3      PHE  43   2.526   2.631  -1.514
  346    HD1  PHE  43           HD1      PHE  43   4.227   5.021  -3.704
  347    HD2  PHE  43           HD2      PHE  43   1.917   4.515  -0.167
  348    HE1  PHE  43           HE1      PHE  43   3.784   7.445  -3.653
  349    HE2  PHE  43           HE2      PHE  43   1.474   6.935  -0.105
  350    HZ   PHE  43           HZ       PHE  43   2.409   8.402  -1.848
  351    H    VAL  44           H        VAL  44   4.355   1.716   1.070
  352    HA   VAL  44           HA       VAL  44   4.917  -0.999   0.104
  353    HB   VAL  44           HB       VAL  44   5.104   0.011   2.947
  354   HG11  VAL  44          HG11      VAL  44   4.743  -2.392   2.759
  355   HG12  VAL  44          HG12      VAL  44   6.374  -2.049   3.331
  356   HG13  VAL  44          HG13      VAL  44   6.111  -2.523   1.656
  357   HG21  VAL  44          HG21      VAL  44   6.730   1.163   1.525
  358   HG22  VAL  44          HG22      VAL  44   7.320  -0.390   0.933
  359   HG23  VAL  44          HG23      VAL  44   7.529   0.045   2.631
  360    H    LEU  45           H        LEU  45   3.164  -2.184  -0.140
  361    HA   LEU  45           HA       LEU  45   0.730  -1.467   1.256
  362    HB2  LEU  45           HB2      LEU  45   1.216  -3.695  -0.726
  363    HB3  LEU  45           HB3      LEU  45  -0.348  -3.145  -0.151
  364    HG   LEU  45           HG       LEU  45   1.560  -1.713  -1.996
  365   HD11  LEU  45          HD11      LEU  45   0.011  -3.243  -3.045
  366   HD12  LEU  45          HD12      LEU  45  -0.412  -1.573  -3.430
  367   HD13  LEU  45          HD13      LEU  45  -1.344  -2.465  -2.225
  368   HD21  LEU  45          HD21      LEU  45   0.812  -0.120  -0.279
  369   HD22  LEU  45          HD22      LEU  45  -0.864  -0.526  -0.648
  370   HD23  LEU  45          HD23      LEU  45   0.145   0.251  -1.869
  371    H    HIS  46           H        HIS  46   0.099  -2.346   3.085
  372    HA   HIS  46           HA       HIS  46   1.877  -4.368   4.239
  373    HB2  HIS  46           HB2      HIS  46   1.508  -2.103   5.306
  374    HB3  HIS  46           HB3      HIS  46  -0.138  -2.615   5.653
  375    HD1  HIS  46           HD1      HIS  46   3.221  -2.619   6.990
  376    HD2  HIS  46           HD2      HIS  46  -0.215  -4.922   7.484
  377    HE1  HIS  46           HE1      HIS  46   3.530  -3.864   9.159
  378    HE2  HIS  46           HE2      HIS  46   1.472  -5.296   9.415
  379    H    LEU  47           H        LEU  47   1.125  -6.375   3.854
  380    HA   LEU  47           HA       LEU  47  -1.735  -6.931   4.060
  381    HB2  LEU  47           HB2      LEU  47   0.566  -8.574   3.090
  382    HB3  LEU  47           HB3      LEU  47  -1.088  -9.143   3.121
  383    HG   LEU  47           HG       LEU  47  -1.513  -7.045   1.583
  384   HD11  LEU  47          HD11      LEU  47   0.722  -6.122   1.752
  385   HD12  LEU  47          HD12      LEU  47   0.372  -6.600   0.092
  386   HD13  LEU  47          HD13      LEU  47   1.403  -7.612   1.101
  387   HD21  LEU  47          HD21      LEU  47  -1.126  -8.466  -0.382
  388   HD22  LEU  47          HD22      LEU  47  -1.917  -9.344   0.927
  389   HD23  LEU  47          HD23      LEU  47  -0.195  -9.580   0.619
  390    H    ALA  48           H        ALA  48   0.864  -6.912   5.916
  391    HA   ALA  48           HA       ALA  48   1.034  -7.365   8.169
  392    HB1  ALA  48           HB1      ALA  48  -0.654  -8.641   9.354
  393    HB2  ALA  48           HB2      ALA  48  -1.397  -9.111   7.825
  394    HB3  ALA  48           HB3      ALA  48  -1.403  -7.422   8.325
  395    H    GLN  49           H        GLN  49  -0.182 -10.442   6.768
  396    HA   GLN  49           HA       GLN  49   2.174 -11.820   7.695
  397    HB2  GLN  49           HB2      GLN  49   0.895 -13.308   5.608
  398    HB3  GLN  49           HB3      GLN  49   0.995 -13.685   7.316
  399    HG2  GLN  49           HG2      GLN  49  -1.277 -13.731   6.780
  400    HG3  GLN  49           HG3      GLN  49  -1.029 -12.205   7.623
  401   HE21  GLN  49          HE21      GLN  49  -2.940 -11.416   6.682
  402   HE22  GLN  49          HE22      GLN  49  -2.935 -10.831   5.051
  403    H    ARG  50           H        ARG  50   1.252  -9.914   5.074
  404    HA   ARG  50           HA       ARG  50   3.831 -10.485   3.774
  405    HB2  ARG  50           HB2      ARG  50   1.194  -9.795   2.501
  406    HB3  ARG  50           HB3      ARG  50   2.727  -9.679   1.655
  407    HG2  ARG  50           HG2      ARG  50   3.066 -12.070   1.931
  408    HG3  ARG  50           HG3      ARG  50   1.525 -12.185   2.796
  409    HD2  ARG  50           HD2      ARG  50   0.279 -11.727   0.928
  410    HD3  ARG  50           HD3      ARG  50   1.599 -10.879   0.130
  411    HE   ARG  50           HE       ARG  50   1.758 -13.790   0.491
  412   HH11  ARG  50          HH11      ARG  50   1.494 -11.013  -1.620
  413   HH12  ARG  50          HH12      ARG  50   1.893 -11.896  -3.059
  414   HH21  ARG  50          HH21      ARG  50   2.278 -14.967  -1.393
  415   HH22  ARG  50          HH22      ARG  50   2.331 -14.151  -2.934
  416    H    SER  51           H        SER  51   4.766  -8.667   2.665
  417    HA   SER  51           HA       SER  51   3.438  -6.107   2.811
  418    HB2  SER  51           HB2      SER  51   6.202  -6.505   4.022
  419    HB3  SER  51           HB3      SER  51   5.431  -4.942   3.745
  420    HG   SER  51           HG       SER  51   3.980  -6.823   5.196
  421    H    ILE  52           H        ILE  52   3.668  -5.153   0.929
  422    HA   ILE  52           HA       ILE  52   5.754  -6.198  -0.871
  423    HB   ILE  52           HB       ILE  52   2.912  -5.411  -1.548
  424   HG12  ILE  52          HG12      ILE  52   4.299  -8.099  -1.678
  425   HG13  ILE  52          HG13      ILE  52   3.165  -7.609  -0.425
  426   HG21  ILE  52          HG21      ILE  52   3.432  -6.131  -3.830
  427   HG22  ILE  52          HG22      ILE  52   5.112  -6.399  -3.363
  428   HG23  ILE  52          HG23      ILE  52   4.437  -4.770  -3.336
  429   HD11  ILE  52          HD11      ILE  52   1.404  -7.412  -2.116
  430   HD12  ILE  52          HD12      ILE  52   2.092  -9.036  -2.058
  431   HD13  ILE  52          HD13      ILE  52   2.550  -7.929  -3.352
  432    H    CYS  53           H        CYS  53   6.890  -4.746  -2.058
  433    HA   CYS  53           HA       CYS  53   6.444  -1.930  -1.376
  434    HB2  CYS  53           HB2      CYS  53   8.889  -3.153  -2.671
  435    HB3  CYS  53           HB3      CYS  53   8.760  -1.582  -1.884
  436    H    ILE  54           H        ILE  54   5.600  -0.633  -2.853
  437    HA   ILE  54           HA       ILE  54   5.523  -1.611  -5.628
  438    HB   ILE  54           HB       ILE  54   3.370  -1.452  -4.098
  439   HG12  ILE  54          HG12      ILE  54   3.349  -0.417  -6.940
  440   HG13  ILE  54          HG13      ILE  54   3.451  -2.118  -6.491
  441   HG21  ILE  54          HG21      ILE  54   3.681   0.897  -3.497
  442   HG22  ILE  54          HG22      ILE  54   2.165   0.645  -4.362
  443   HG23  ILE  54          HG23      ILE  54   3.548   1.349  -5.199
  444   HD11  ILE  54          HD11      ILE  54   1.191  -1.640  -7.064
  445   HD12  ILE  54          HD12      ILE  54   1.165  -0.232  -6.003
  446   HD13  ILE  54          HD13      ILE  54   1.264  -1.853  -5.311
  447    H    HIS  55           H        HIS  55   5.775  -0.131  -7.287
  448    HA   HIS  55           HA       HIS  55   7.329   2.198  -6.730
  449    HB2  HIS  55           HB2      HIS  55   7.618   0.853  -8.790
  450    HB3  HIS  55           HB3      HIS  55   5.990   1.292  -9.300
  451    HD1  HIS  55           HD1      HIS  55   6.124   2.924 -11.129
  452    HD2  HIS  55           HD2      HIS  55   9.105   3.549  -8.288
  453    HE1  HIS  55           HE1      HIS  55   7.375   4.972 -11.892
  454    HE2  HIS  55           HE2      HIS  55   9.271   5.236 -10.249
  455    HA   PRO  56           HA       PRO  56   4.053   4.970  -5.542
  456    HB2  PRO  56           HB2      PRO  56   5.807   6.879  -7.044
  457    HB3  PRO  56           HB3      PRO  56   5.041   7.065  -5.461
  458    HG2  PRO  56           HG2      PRO  56   7.624   6.458  -5.651
  459    HG3  PRO  56           HG3      PRO  56   6.606   5.723  -4.399
  460    HD2  PRO  56           HD2      PRO  56   7.717   4.526  -6.880
  461    HD3  PRO  56           HD3      PRO  56   7.325   3.755  -5.330
  462    H    GLN  57           H        GLN  57   5.409   5.458  -8.798
  463    HA   GLN  57           HA       GLN  57   2.846   6.308  -9.834
  464    HB2  GLN  57           HB2      GLN  57   5.569   5.919 -11.066
  465    HB3  GLN  57           HB3      GLN  57   4.153   6.243 -12.052
  466    HG2  GLN  57           HG2      GLN  57   5.555   8.231 -11.547
  467    HG3  GLN  57           HG3      GLN  57   3.864   8.391 -11.085
  468   HE21  GLN  57          HE21      GLN  57   3.330   8.663  -8.971
  469   HE22  GLN  57          HE22      GLN  57   4.507   8.876  -7.711
  470    H    ASN  58           H        ASN  58   1.923   4.174  -9.086
  471    HA   ASN  58           HA       ASN  58   1.963   2.349 -11.378
  472    HB2  ASN  58           HB2      ASN  58   3.268   1.438  -9.365
  473    HB3  ASN  58           HB3      ASN  58   1.716   1.350  -8.541
  474   HD21  ASN  58          HD21      ASN  58   1.757  -0.862  -8.385
  475   HD22  ASN  58          HD22      ASN  58   1.539  -1.890  -9.752
  476    HA   PRO  59           HA       PRO  59  -2.358   3.465 -11.350
  477    HB2  PRO  59           HB2      PRO  59  -2.497   0.860 -12.801
  478    HB3  PRO  59           HB3      PRO  59  -3.181   2.431 -13.238
  479    HG2  PRO  59           HG2      PRO  59  -0.994   1.521 -14.448
  480    HG3  PRO  59           HG3      PRO  59  -1.155   3.237 -14.032
  481    HD2  PRO  59           HD2      PRO  59   0.475   1.112 -12.731
  482    HD3  PRO  59           HD3      PRO  59   0.824   2.841 -12.932
  483    H    SER  60           H        SER  60  -1.165   0.285 -10.412
  484    HA   SER  60           HA       SER  60  -3.569  -0.802  -9.458
  485    HB2  SER  60           HB2      SER  60  -0.858  -1.420  -8.309
  486    HB3  SER  60           HB3      SER  60  -2.243  -2.496  -8.484
  487    HG   SER  60           HG       SER  60  -1.975  -2.217 -10.799
  488    H    LEU  61           H        LEU  61  -1.301   1.426  -7.990
  489    HA   LEU  61           HA       LEU  61  -2.277   1.000  -5.328
  490    HB2  LEU  61           HB2      LEU  61   0.017   1.790  -5.820
  491    HB3  LEU  61           HB3      LEU  61  -0.654   3.295  -6.419
  492    HG   LEU  61           HG       LEU  61  -1.516   3.820  -4.189
  493   HD11  LEU  61          HD11      LEU  61  -0.883   2.445  -2.257
  494   HD12  LEU  61          HD12      LEU  61  -0.185   1.243  -3.344
  495   HD13  LEU  61          HD13      LEU  61  -1.921   1.556  -3.372
  496   HD21  LEU  61          HD21      LEU  61   1.386   3.036  -4.149
  497   HD22  LEU  61          HD22      LEU  61   0.610   4.227  -3.105
  498   HD23  LEU  61          HD23      LEU  61   0.739   4.522  -4.841
  499    H    SER  62           H        SER  62  -2.829   3.388  -7.883
  500    HA   SER  62           HA       SER  62  -4.629   5.042  -6.510
  501    HB2  SER  62           HB2      SER  62  -4.737   4.296  -9.448
  502    HB3  SER  62           HB3      SER  62  -5.358   5.771  -8.704
  503    HG   SER  62           HG       SER  62  -3.186   6.294  -8.146
  504    H    GLN  63           H        GLN  63  -5.130   2.147  -8.466
  505    HA   GLN  63           HA       GLN  63  -7.896   1.880  -8.131
  506    HB2  GLN  63           HB2      GLN  63  -5.725  -0.169  -8.572
  507    HB3  GLN  63           HB3      GLN  63  -7.439  -0.558  -8.601
  508    HG2  GLN  63           HG2      GLN  63  -7.809   0.663 -10.542
  509    HG3  GLN  63           HG3      GLN  63  -6.311   1.575 -10.366
  510   HE21  GLN  63          HE21      GLN  63  -6.425  -1.871  -9.871
  511   HE22  GLN  63          HE22      GLN  63  -5.536  -2.298 -11.297
  512    H    TRP  64           H        TRP  64  -5.175   0.787  -6.156
  513    HA   TRP  64           HA       TRP  64  -6.662  -0.815  -4.405
  514    HB2  TRP  64           HB2      TRP  64  -4.239  -1.007  -4.510
  515    HB3  TRP  64           HB3      TRP  64  -4.054   0.642  -3.925
  516    HD1  TRP  64           HD1      TRP  64  -2.909   0.275  -1.630
  517    HE1  TRP  64           HE1      TRP  64  -3.527  -0.990   0.522
  518    HE3  TRP  64           HE3      TRP  64  -7.008  -2.320  -3.310
  519    HZ2  TRP  64           HZ2      TRP  64  -5.464  -2.824   1.389
  520    HZ3  TRP  64           HZ3      TRP  64  -8.168  -3.802  -1.745
  521    HH2  TRP  64           HH2      TRP  64  -7.409  -4.054   0.551
  522    H    PHE  65           H        PHE  65  -5.964   2.651  -4.320
  523    HA   PHE  65           HA       PHE  65  -7.028   3.106  -1.758
  524    HB2  PHE  65           HB2      PHE  65  -6.941   4.945  -4.159
  525    HB3  PHE  65           HB3      PHE  65  -7.370   5.454  -2.526
  526    HD1  PHE  65           HD1      PHE  65  -5.430   3.903  -0.934
  527    HD2  PHE  65           HD2      PHE  65  -4.935   6.054  -4.571
  528    HE1  PHE  65           HE1      PHE  65  -3.051   4.244  -0.399
  529    HE2  PHE  65           HE2      PHE  65  -2.558   6.396  -4.045
  530    HZ   PHE  65           HZ       PHE  65  -1.613   5.498  -1.959
  531    H    GLU  66           H        GLU  66  -8.568   2.980  -4.940
  532    HA   GLU  66           HA       GLU  66 -11.203   3.552  -4.068
  533    HB2  GLU  66           HB2      GLU  66 -10.409   1.756  -6.367
  534    HB3  GLU  66           HB3      GLU  66 -11.927   2.620  -6.176
  535    HG2  GLU  66           HG2      GLU  66 -10.790   4.734  -6.478
  536    HG3  GLU  66           HG3      GLU  66  -9.237   3.900  -6.569
  537    H    HIS  67           H        HIS  67  -9.388   0.555  -4.502
  538    HA   HIS  67           HA       HIS  67 -11.630  -1.135  -4.008
  539    HB2  HIS  67           HB2      HIS  67  -8.678  -1.745  -4.180
  540    HB3  HIS  67           HB3      HIS  67  -9.923  -2.974  -3.998
  541    HD1  HIS  67           HD1      HIS  67  -9.008  -3.898  -6.342
  542    HD2  HIS  67           HD2      HIS  67 -10.913  -0.204  -6.455
  543    HE1  HIS  67           HE1      HIS  67  -9.456  -3.438  -8.773
  544    HE2  HIS  67           HE2      HIS  67 -10.431  -1.112  -8.823
  545    H    GLN  68           H        GLN  68  -8.887  -0.073  -2.020
  546    HA   GLN  68           HA       GLN  68  -9.429  -1.711   0.213
  547    HB2  GLN  68           HB2      GLN  68  -8.023  -0.228   1.476
  548    HB3  GLN  68           HB3      GLN  68  -7.328  -0.376  -0.130
  549    HG2  GLN  68           HG2      GLN  68  -8.360   1.780  -0.741
  550    HG3  GLN  68           HG3      GLN  68  -8.961   1.931   0.907
  551   HE21  GLN  68          HE21      GLN  68  -5.849   0.584   0.094
  552   HE22  GLN  68          HE22      GLN  68  -4.908   1.869   0.759
  553    H    GLU  69           H        GLU  69 -10.711   1.330  -0.896
  554    HA   GLU  69           HA       GLU  69 -12.122   2.105   1.407
  555    HB2  GLU  69           HB2      GLU  69 -11.699   3.566  -0.545
  556    HB3  GLU  69           HB3      GLU  69 -12.819   2.600  -1.495
  557    HG2  GLU  69           HG2      GLU  69 -14.633   3.241   0.028
  558    HG3  GLU  69           HG3      GLU  69 -13.501   4.251   0.928
  559    H    ARG  70           H        ARG  70 -12.812  -0.228  -1.087
  560    HA   ARG  70           HA       ARG  70 -15.438  -0.758   0.142
  561    HB2  ARG  70           HB2      ARG  70 -16.018  -1.813  -2.059
  562    HB3  ARG  70           HB3      ARG  70 -15.748  -0.078  -2.122
  563    HG2  ARG  70           HG2      ARG  70 -13.442  -0.527  -2.937
  564    HG3  ARG  70           HG3      ARG  70 -13.850  -2.241  -3.006
  565    HD2  ARG  70           HD2      ARG  70 -15.414  -0.116  -4.449
  566    HD3  ARG  70           HD3      ARG  70 -14.047  -0.960  -5.174
  567    HE   ARG  70           HE       ARG  70 -15.358  -3.044  -4.805
  568   HH11  ARG  70          HH11      ARG  70 -17.059   0.021  -4.840
  569   HH12  ARG  70          HH12      ARG  70 -18.507  -0.659  -5.520
  570   HH21  ARG  70          HH21      ARG  70 -17.240  -3.921  -5.723
  571   HH22  ARG  70          HH22      ARG  70 -18.601  -2.892  -6.061
  572    H    LYS  71           H        LYS  71 -12.650  -1.829   0.794
  573    HA   LYS  71           HA       LYS  71 -13.376  -4.682   0.650
  574    HB2  LYS  71           HB2      LYS  71 -11.418  -3.700  -0.909
  575    HB3  LYS  71           HB3      LYS  71 -10.487  -3.976   0.556
  576    HG2  LYS  71           HG2      LYS  71 -11.249  -6.341   0.535
  577    HG3  LYS  71           HG3      LYS  71 -12.053  -6.024  -1.003
  578    HD2  LYS  71           HD2      LYS  71  -9.105  -5.616  -0.514
  579    HD3  LYS  71           HD3      LYS  71  -9.799  -7.078  -1.214
  580    HE2  LYS  71           HE2      LYS  71 -10.127  -4.311  -2.365
  581    HE3  LYS  71           HE3      LYS  71  -8.904  -5.469  -2.890
  582    HZ1  LYS  71           HZ1      LYS  71 -10.795  -7.012  -3.391
  583    HZ2  LYS  71           HZ2      LYS  71 -10.709  -5.638  -4.379
  584    HZ3  LYS  71           HZ3      LYS  71 -11.852  -5.711  -3.131
  585    H    LEU  72           H        LEU  72 -11.085  -5.595   2.088
  586    HA   LEU  72           HA       LEU  72 -10.611  -6.138   4.225
  587    HB2  LEU  72           HB2      LEU  72 -10.536  -3.148   4.265
  588    HB3  LEU  72           HB3      LEU  72 -10.225  -4.067   5.723
  589    HG   LEU  72           HG       LEU  72  -8.328  -5.173   4.621
  590   HD11  LEU  72          HD11      LEU  72  -9.080  -5.068   2.301
  591   HD12  LEU  72          HD12      LEU  72  -7.494  -4.321   2.481
  592   HD13  LEU  72          HD13      LEU  72  -8.931  -3.312   2.324
  593   HD21  LEU  72          HD21      LEU  72  -6.871  -3.249   4.644
  594   HD22  LEU  72          HD22      LEU  72  -8.068  -3.117   5.933
  595   HD23  LEU  72          HD23      LEU  72  -8.255  -2.175   4.453
  596    H    HIS  73           H        HIS  73 -12.076  -3.338   5.570
  597    HA   HIS  73           HA       HIS  73 -14.618  -4.407   6.220
  598    HB2  HIS  73           HB2      HIS  73 -13.026  -5.903   7.540
  599    HB3  HIS  73           HB3      HIS  73 -12.608  -4.479   8.480
  600    HD1  HIS  73           HD1      HIS  73 -13.591  -5.202  10.699
  601    HD2  HIS  73           HD2      HIS  73 -16.320  -5.404   7.561
  602    HE1  HIS  73           HE1      HIS  73 -15.826  -5.630  11.767
  603    HE2  HIS  73           HE2      HIS  73 -17.481  -5.526   9.873
  604    H    GLY  74           H        GLY  74 -13.020  -1.942   5.471
  605    HA2  GLY  74           HA2      GLY  74 -13.266   0.331   5.853
  606    HA3  GLY  74           HA3      GLY  74 -14.337  -0.048   7.197
  607    H    THR  75           H        THR  75 -11.617  -1.846   7.576
  608    HA   THR  75           HA       THR  75 -10.672  -0.174   9.716
  609    HB   THR  75           HB       THR  75  -8.964  -2.210   9.740
  610    HG1  THR  75           HG1      THR  75 -10.112  -4.100   9.008
  611   HG21  THR  75          HG21      THR  75 -11.829  -2.353  10.691
  612   HG22  THR  75          HG22      THR  75 -10.485  -1.613  11.559
  613   HG23  THR  75          HG23      THR  75 -10.503  -3.354  11.283
  614    H    LEU  76           H        LEU  76  -9.854   1.563   8.497
  615    HA   LEU  76           HA       LEU  76  -7.140   1.132   7.537
  616    HB2  LEU  76           HB2      LEU  76  -9.310   2.481   5.948
  617    HB3  LEU  76           HB3      LEU  76  -7.612   2.718   5.624
  618    HG   LEU  76           HG       LEU  76  -8.880  -0.010   5.571
  619   HD11  LEU  76          HD11      LEU  76  -9.023   0.230   3.148
  620   HD12  LEU  76          HD12      LEU  76  -8.486   1.905   3.274
  621   HD13  LEU  76          HD13      LEU  76 -10.037   1.423   3.961
  622   HD21  LEU  76          HD21      LEU  76  -6.362   1.090   4.317
  623   HD22  LEU  76          HD22      LEU  76  -6.912  -0.588   4.283
  624   HD23  LEU  76          HD23      LEU  76  -6.423   0.151   5.810
  625    HA   PRO  77           HA       PRO  77  -6.679   5.124   9.477
  626    HB2  PRO  77           HB2      PRO  77  -4.126   5.550   8.918
  627    HB3  PRO  77           HB3      PRO  77  -4.589   4.146   9.892
  628    HG2  PRO  77           HG2      PRO  77  -3.855   4.275   6.995
  629    HG3  PRO  77           HG3      PRO  77  -3.396   3.071   8.212
  630    HD2  PRO  77           HD2      PRO  77  -5.506   2.819   6.380
  631    HD3  PRO  77           HD3      PRO  77  -5.288   1.856   7.856
  632    H    LYS  78           H        LYS  78  -6.571   7.333   8.941
  633    HA   LYS  78           HA       LYS  78  -6.941   7.957   6.130
  634    HB2  LYS  78           HB2      LYS  78  -7.015   9.724   8.578
  635    HB3  LYS  78           HB3      LYS  78  -7.334  10.282   6.942
  636    HG2  LYS  78           HG2      LYS  78  -9.228   8.728   6.800
  637    HG3  LYS  78           HG3      LYS  78  -8.924   8.225   8.461
  638    HD2  LYS  78           HD2      LYS  78 -10.716   9.835   8.441
  639    HD3  LYS  78           HD3      LYS  78  -9.297  10.568   9.189
  640    HE2  LYS  78           HE2      LYS  78  -9.756  10.935   6.264
  641    HE3  LYS  78           HE3      LYS  78 -10.710  11.878   7.405
  642    HZ1  LYS  78           HZ1      LYS  78  -8.764  12.857   8.290
  643    HZ2  LYS  78           HZ2      LYS  78  -8.618  12.960   6.601
  644    HZ3  LYS  78           HZ3      LYS  78  -7.747  11.789   7.457
  645    H    LEU  79           H        LEU  79  -4.952   7.570   5.234
  646    HA   LEU  79           HA       LEU  79  -2.651   8.987   6.337
  647    HB2  LEU  79           HB2      LEU  79  -1.316   7.516   4.864
  648    HB3  LEU  79           HB3      LEU  79  -2.306   6.637   6.014
  649    HG   LEU  79           HG       LEU  79  -3.966   6.729   3.860
  650   HD11  LEU  79          HD11      LEU  79  -2.631   6.086   1.898
  651   HD12  LEU  79          HD12      LEU  79  -1.161   6.488   2.787
  652   HD13  LEU  79          HD13      LEU  79  -2.335   7.749   2.407
  653   HD21  LEU  79          HD21      LEU  79  -3.290   4.394   3.485
  654   HD22  LEU  79          HD22      LEU  79  -3.520   4.779   5.190
  655   HD23  LEU  79          HD23      LEU  79  -1.891   4.656   4.526
  656    H    ASN  80           H        ASN  80  -4.920   9.897   4.539
  657    HA   ASN  80           HA       ASN  80  -5.299  11.345   2.830
  658    HB2  ASN  80           HB2      ASN  80  -2.376  12.026   3.208
  659    HB3  ASN  80           HB3      ASN  80  -3.569  13.015   2.370
  660   HD21  ASN  80          HD21      ASN  80  -1.869  13.324   4.835
  661   HD22  ASN  80          HD22      ASN  80  -2.982  13.883   6.042
  662    H    PHE  81           H        PHE  81  -5.721   9.823   1.237
  663    HA   PHE  81           HA       PHE  81  -3.465   9.223  -0.562
  664    HB2  PHE  81           HB2      PHE  81  -4.858   7.152  -1.150
  665    HB3  PHE  81           HB3      PHE  81  -4.010   7.153   0.386
  666    HD1  PHE  81           HD2      PHE  81  -7.300   7.451  -1.236
  667    HD2  PHE  81           HD1      PHE  81  -5.200   7.089   2.448
  668    HE1  PHE  81           HE2      PHE  81  -9.415   6.954  -0.081
  669    HE2  PHE  81           HE1      PHE  81  -7.310   6.587   3.606
  670    HZ   PHE  81           HZ       PHE  81  -9.420   6.522   2.341
  671    H    GLY  82           H        GLY  82  -5.803  11.275  -0.424
  672    HA2  GLY  82           HA2      GLY  82  -7.384  10.690  -2.747
  673    HA3  GLY  82           HA3      GLY  82  -7.362  12.202  -1.854
  674    H    MET  83           H        MET  83  -4.235  11.859  -2.377
  675    HA   MET  83           HA       MET  83  -4.365  13.597  -4.720
  676    HB2  MET  83           HB2      MET  83  -2.211  14.393  -4.117
  677    HB3  MET  83           HB3      MET  83  -3.120  14.265  -2.621
  678    HG2  MET  83           HG2      MET  83  -1.060  12.313  -3.626
  679    HG3  MET  83           HG3      MET  83  -0.842  13.491  -2.333
  680    HE1  MET  83           HE1      MET  83  -0.849  10.068  -0.425
  681    HE2  MET  83           HE2      MET  83   0.040  11.558  -0.740
  682    HE3  MET  83           HE3      MET  83  -0.190  10.377  -2.030
  683    H    LEU  84           H        LEU  84  -4.126  10.394  -4.333
  684    HA   LEU  84           HA       LEU  84  -2.093  10.090  -6.442
  685    HB2  LEU  84           HB2      LEU  84  -2.835   8.354  -4.122
  686    HB3  LEU  84           HB3      LEU  84  -2.084   7.652  -5.543
  687    HG   LEU  84           HG       LEU  84  -0.845   9.931  -4.009
  688   HD11  LEU  84          HD11      LEU  84   0.591   8.240  -2.967
  689   HD12  LEU  84          HD12      LEU  84  -0.376   6.968  -3.714
  690   HD13  LEU  84          HD13      LEU  84  -1.100   8.036  -2.511
  691   HD21  LEU  84          HD21      LEU  84  -0.053   9.661  -6.294
  692   HD22  LEU  84          HD22      LEU  84   0.247   7.946  -6.002
  693   HD23  LEU  84          HD23      LEU  84   1.196   9.166  -5.149
  694    H    ARG  85           H        ARG  85  -5.232  10.371  -6.373
  695    HA   ARG  85           HA       ARG  85  -5.966   7.971  -7.824
  696    HB2  ARG  85           HB2      ARG  85  -7.542  10.494  -7.289
  697    HB3  ARG  85           HB3      ARG  85  -8.174   9.052  -8.068
  698    HG2  ARG  85           HG2      ARG  85  -7.657   7.781  -5.992
  699    HG3  ARG  85           HG3      ARG  85  -7.210   9.308  -5.230
  700    HD2  ARG  85           HD2      ARG  85  -9.911   8.552  -6.337
  701    HD3  ARG  85           HD3      ARG  85  -9.482   8.754  -4.640
  702    HE   ARG  85           HE       ARG  85  -9.596  10.948  -6.617
  703   HH11  ARG  85          HH11      ARG  85  -9.895   9.748  -3.329
  704   HH12  ARG  85          HH12      ARG  85 -10.405  11.286  -2.695
  705   HH21  ARG  85          HH21      ARG  85 -10.273  12.966  -5.761
  706   HH22  ARG  85          HH22      ARG  85 -10.627  13.093  -4.062
  707    H    LYS  86           H        LYS  86  -4.392   8.198  -9.514
  708    HA   LYS  86           HA       LYS  86  -3.655   8.751 -11.582
  709    HB2  LYS  86           HB2      LYS  86  -6.462   9.823 -11.795
  710    HB3  LYS  86           HB3      LYS  86  -5.324   9.895 -13.136
  711    HG2  LYS  86           HG2      LYS  86  -6.221   7.383 -11.735
  712    HG3  LYS  86           HG3      LYS  86  -6.801   7.956 -13.303
  713    HD2  LYS  86           HD2      LYS  86  -4.624   7.705 -14.273
  714    HD3  LYS  86           HD3      LYS  86  -3.907   7.357 -12.699
  715    HE2  LYS  86           HE2      LYS  86  -5.175   5.297 -12.554
  716    HE3  LYS  86           HE3      LYS  86  -5.963   5.650 -14.091
  717    HZ1  LYS  86           HZ1      LYS  86  -3.048   5.203 -13.709
  718    HZ2  LYS  86           HZ2      LYS  86  -3.813   5.526 -15.185
  719    HZ3  LYS  86           HZ3      LYS  86  -4.142   4.080 -14.362
  720    H    MET  87           H        MET  87  -3.600  10.601  -9.221
  721    HA   MET  87           HA       MET  87  -2.853  13.071 -10.648
  722    HB2  MET  87           HB2      MET  87  -3.418  12.720  -7.696
  723    HB3  MET  87           HB3      MET  87  -3.144  14.240  -8.538
  724    HG2  MET  87           HG2      MET  87  -5.207  13.974  -9.759
  725    HG3  MET  87           HG3      MET  87  -5.462  12.389  -9.033
  726    HE1  MET  87           HE1      MET  87  -8.283  14.332  -7.290
  727    HE2  MET  87           HE2      MET  87  -7.812  12.839  -8.101
  728    HE3  MET  87           HE3      MET  87  -7.771  14.371  -8.978
  729    H    GLY  88           H        GLY  88  -1.501  10.374  -9.918
  730    HA2  GLY  88           HA2      GLY  88   1.077  11.526  -9.264
  731    HA3  GLY  88           HA3      GLY  88   0.433  10.378  -8.093
  Start of MODEL   28
    1    H1   PHE   1           HT1      PHE   1  14.085 -12.826   6.657
    2    H2   PHE   1           HT2      PHE   1  15.763 -12.560   6.657
    3    H3   PHE   1           HT3      PHE   1  14.880 -12.429   5.213
    4    HA   PHE   1           HA       PHE   1  14.555 -10.681   7.579
    5    HB2  PHE   1           HB2      PHE   1  16.690 -10.249   6.499
    6    HB3  PHE   1           HB3      PHE   1  15.913 -10.188   4.919
    7    HD1  PHE   1           HD2      PHE   1  15.933  -8.504   8.237
    8    HD2  PHE   1           HD1      PHE   1  15.177  -8.161   4.064
    9    HE1  PHE   1           HE2      PHE   1  15.583  -6.081   8.501
   10    HE2  PHE   1           HE1      PHE   1  14.825  -5.740   4.320
   11    HZ   PHE   1           HZ       PHE   1  15.026  -4.697   6.541
   12    H    LEU   2           H        LEU   2  12.574  -9.969   7.694
   13    HA   LEU   2           HA       LEU   2  11.017  -9.638   5.228
   14    HB2  LEU   2           HB2      LEU   2   9.052  -9.520   6.679
   15    HB3  LEU   2           HB3      LEU   2   9.950 -11.000   6.942
   16    HG   LEU   2           HG       LEU   2  11.018  -9.558   8.913
   17   HD11  LEU   2          HD11      LEU   2   9.283  -8.187   9.990
   18   HD12  LEU   2          HD12      LEU   2   8.273  -8.367   8.554
   19   HD13  LEU   2          HD13      LEU   2   9.815  -7.516   8.448
   20   HD21  LEU   2          HD21      LEU   2   9.361 -10.568  10.412
   21   HD22  LEU   2          HD22      LEU   2   9.918 -11.700   9.179
   22   HD23  LEU   2          HD23      LEU   2   8.339 -10.929   9.020
   23    H    LEU   3           H        LEU   3  10.141  -7.643   4.684
   24    HA   LEU   3           HA       LEU   3  11.468  -5.319   5.612
   25    HB2  LEU   3           HB2      LEU   3   9.108  -5.834   3.850
   26    HB3  LEU   3           HB3      LEU   3   9.374  -4.207   4.442
   27    HG   LEU   3           HG       LEU   3  10.311  -4.443   2.224
   28   HD11  LEU   3          HD11      LEU   3  12.615  -3.741   2.677
   29   HD12  LEU   3          HD12      LEU   3  12.449  -4.291   4.346
   30   HD13  LEU   3          HD13      LEU   3  11.458  -2.957   3.753
   31   HD21  LEU   3          HD21      LEU   3  12.019  -6.644   3.383
   32   HD22  LEU   3          HD22      LEU   3  12.170  -5.961   1.763
   33   HD23  LEU   3          HD23      LEU   3  10.712  -6.847   2.215
   34    HA   PRO   4           HA       PRO   4   9.179  -5.088   9.441
   35    HB2  PRO   4           HB2      PRO   4  10.651  -2.550   9.739
   36    HB3  PRO   4           HB3      PRO   4  10.641  -3.972  10.786
   37    HG2  PRO   4           HG2      PRO   4  12.770  -3.365   9.275
   38    HG3  PRO   4           HG3      PRO   4  12.285  -5.044   9.576
   39    HD2  PRO   4           HD2      PRO   4  11.849  -3.354   7.143
   40    HD3  PRO   4           HD3      PRO   4  12.297  -5.073   7.265
   41    HA   PRO   5           HA       PRO   5   5.884  -2.419   8.031
   42    HB2  PRO   5           HB2      PRO   5   4.492  -2.483  10.381
   43    HB3  PRO   5           HB3      PRO   5   4.394  -3.724   9.134
   44    HG2  PRO   5           HG2      PRO   5   6.000  -3.707  11.659
   45    HG3  PRO   5           HG3      PRO   5   5.080  -5.034  10.922
   46    HD2  PRO   5           HD2      PRO   5   7.745  -4.886  10.689
   47    HD3  PRO   5           HD3      PRO   5   6.730  -5.472   9.352
   48    H    SER   6           H        SER   6   5.561  -0.307   8.087
   49    HA   SER   6           HA       SER   6   5.672   1.888   8.647
   50    HB2  SER   6           HB2      SER   6   4.718   1.283  10.824
   51    HB3  SER   6           HB3      SER   6   6.326   0.901  11.439
   52    HG   SER   6           HG       SER   6   6.842   3.160  10.917
   53    H    THR   7           H        THR   7   8.213  -0.230   8.776
   54    HA   THR   7           HA       THR   7  10.213   1.914   8.999
   55    HB   THR   7           HB       THR   7  10.836  -1.035   8.961
   56    HG1  THR   7           HG1      THR   7   9.273  -0.079  10.714
   57   HG21  THR   7          HG21      THR   7  12.799  -0.290  10.252
   58   HG22  THR   7          HG22      THR   7  12.226   1.375  10.138
   59   HG23  THR   7          HG23      THR   7  12.704   0.504   8.680
   60    H    ALA   8           H        ALA   8   9.398   2.522   6.841
   61    HA   ALA   8           HA       ALA   8   9.603   0.619   4.715
   62    HB1  ALA   8           HB1      ALA   8   7.760   2.189   4.787
   63    HB2  ALA   8           HB2      ALA   8   8.711   2.407   3.317
   64    HB3  ALA   8           HB3      ALA   8   8.885   3.541   4.657
   65    H    CYS   9           H        CYS   9  11.693   0.105   4.415
   66    HA   CYS   9           HA       CYS   9  13.074   2.021   2.719
   67    HB2  CYS   9           HB2      CYS   9  14.143   2.005   5.057
   68    HB3  CYS   9           HB3      CYS   9  14.638   0.358   4.688
   69    H    CYS  10           H        CYS  10  12.413   0.866   0.978
   70    HA   CYS  10           HA       CYS  10  13.177  -1.973   0.879
   71    HB2  CYS  10           HB2      CYS  10  10.719  -1.596   1.299
   72    HB3  CYS  10           HB3      CYS  10  10.637  -0.807  -0.270
   73    H    THR  11           H        THR  11  14.318  -2.507  -0.845
   74    HA   THR  11           HA       THR  11  14.783  -0.447  -2.848
   75    HB   THR  11           HB       THR  11  16.762  -1.876  -3.437
   76    HG1  THR  11           HG1      THR  11  17.030  -3.752  -2.454
   77   HG21  THR  11          HG21      THR  11  16.974   0.027  -1.910
   78   HG22  THR  11          HG22      THR  11  18.035  -1.292  -1.413
   79   HG23  THR  11          HG23      THR  11  16.523  -1.002  -0.549
   80    H    GLN  12           H        GLN  12  13.990  -3.906  -2.645
   81    HA   GLN  12           HA       GLN  12  13.704  -4.148  -5.497
   82    HB2  GLN  12           HB2      GLN  12  12.383  -6.262  -4.014
   83    HB3  GLN  12           HB3      GLN  12  13.742  -6.359  -5.121
   84    HG2  GLN  12           HG2      GLN  12  14.718  -7.143  -3.227
   85    HG3  GLN  12           HG3      GLN  12  15.069  -5.427  -3.055
   86   HE21  GLN  12          HE21      GLN  12  12.191  -4.909  -2.409
   87   HE22  GLN  12          HE22      GLN  12  12.021  -5.394  -0.760
   88    H    LEU  13           H        LEU  13  12.111  -2.978  -6.373
   89    HA   LEU  13           HA       LEU  13   9.496  -2.896  -5.075
   90    HB2  LEU  13           HB2      LEU  13  10.494  -1.420  -7.513
   91    HB3  LEU  13           HB3      LEU  13   8.950  -1.170  -6.726
   92    HG   LEU  13           HG       LEU  13  11.665  -0.574  -5.548
   93   HD11  LEU  13          HD11      LEU  13  10.950   1.019  -7.260
   94   HD12  LEU  13          HD12      LEU  13  10.929   1.750  -5.654
   95   HD13  LEU  13          HD13      LEU  13   9.419   1.244  -6.413
   96   HD21  LEU  13          HD21      LEU  13   8.920  -0.150  -4.376
   97   HD22  LEU  13          HD22      LEU  13  10.452   0.345  -3.653
   98   HD23  LEU  13          HD23      LEU  13  10.082  -1.370  -3.853
   99    H    TYR  14           H        TYR  14   7.748  -3.910  -5.820
  100    HA   TYR  14           HA       TYR  14   7.979  -6.090  -7.565
  101    HB2  TYR  14           HB2      TYR  14   6.239  -5.616  -5.718
  102    HB3  TYR  14           HB3      TYR  14   5.375  -4.702  -6.947
  103    HD1  TYR  14           HD1      TYR  14   6.469  -8.051  -5.901
  104    HD2  TYR  14           HD2      TYR  14   4.193  -5.827  -8.722
  105    HE1  TYR  14           HE1      TYR  14   5.377 -10.125  -6.647
  106    HE2  TYR  14           HE2      TYR  14   3.095  -7.893  -9.476
  107    HH   TYR  14           HH       TYR  14   3.207 -10.766  -7.756
  108    H    ARG  15           H        ARG  15   6.482  -2.912  -8.047
  109    HA   ARG  15           HA       ARG  15   6.315  -1.561  -9.857
  110    HB2  ARG  15           HB2      ARG  15   8.203  -3.590 -11.030
  111    HB3  ARG  15           HB3      ARG  15   7.621  -2.210 -11.952
  112    HG2  ARG  15           HG2      ARG  15   8.628  -0.680 -10.407
  113    HG3  ARG  15           HG3      ARG  15   9.081  -2.003  -9.328
  114    HD2  ARG  15           HD2      ARG  15  10.953  -1.168 -10.735
  115    HD3  ARG  15           HD3      ARG  15  10.609  -2.884 -10.948
  116    HE   ARG  15           HE       ARG  15   9.164  -1.481 -12.887
  117   HH11  ARG  15          HH11      ARG  15  12.517  -2.072 -12.040
  118   HH12  ARG  15          HH12      ARG  15  13.061  -2.038 -13.699
  119   HH21  ARG  15          HH21      ARG  15   9.877  -1.414 -15.041
  120   HH22  ARG  15          HH22      ARG  15  11.566  -1.632 -15.393
  121    H    LYS  16           H        LYS  16   4.906  -4.470  -9.644
  122    HA   LYS  16           HA       LYS  16   3.401  -4.047 -12.140
  123    HB2  LYS  16           HB2      LYS  16   4.033  -6.673 -10.763
  124    HB3  LYS  16           HB3      LYS  16   2.951  -6.500 -12.138
  125    HG2  LYS  16           HG2      LYS  16   5.888  -5.822 -12.143
  126    HG3  LYS  16           HG3      LYS  16   5.178  -7.305 -12.783
  127    HD2  LYS  16           HD2      LYS  16   4.461  -4.538 -13.740
  128    HD3  LYS  16           HD3      LYS  16   5.679  -5.559 -14.505
  129    HE2  LYS  16           HE2      LYS  16   2.789  -6.332 -14.125
  130    HE3  LYS  16           HE3      LYS  16   3.446  -5.632 -15.604
  131    HZ1  LYS  16           HZ1      LYS  16   4.961  -7.531 -15.752
  132    HZ2  LYS  16           HZ2      LYS  16   3.337  -8.014 -15.791
  133    HZ3  LYS  16           HZ3      LYS  16   4.248  -8.217 -14.377
  134    HA   PRO  17           HA       PRO  17  -0.264  -3.654  -9.657
  135    HB2  PRO  17           HB2      PRO  17  -1.637  -5.367 -11.643
  136    HB3  PRO  17           HB3      PRO  17  -2.009  -3.718 -11.132
  137    HG2  PRO  17           HG2      PRO  17  -0.936  -4.205 -13.528
  138    HG3  PRO  17           HG3      PRO  17  -0.473  -2.777 -12.583
  139    HD2  PRO  17           HD2      PRO  17   0.997  -5.357 -12.963
  140    HD3  PRO  17           HD3      PRO  17   1.625  -3.695 -12.920
  141    H    LEU  18           H        LEU  18  -1.096  -4.756  -7.967
  142    HA   LEU  18           HA       LEU  18  -0.343  -7.547  -7.678
  143    HB2  LEU  18           HB2      LEU  18  -1.624  -5.602  -5.757
  144    HB3  LEU  18           HB3      LEU  18  -1.239  -7.264  -5.356
  145    HG   LEU  18           HG       LEU  18   0.739  -5.102  -6.076
  146   HD11  LEU  18          HD11      LEU  18   1.480  -5.370  -3.759
  147   HD12  LEU  18          HD12      LEU  18   0.184  -6.533  -3.481
  148   HD13  LEU  18          HD13      LEU  18  -0.204  -4.852  -3.848
  149   HD21  LEU  18          HD21      LEU  18   1.465  -7.270  -6.919
  150   HD22  LEU  18          HD22      LEU  18   1.205  -7.987  -5.329
  151   HD23  LEU  18          HD23      LEU  18   2.455  -6.761  -5.551
  152    H    SER  19           H        SER  19  -1.840  -9.181  -7.033
  153    HA   SER  19           HA       SER  19  -4.253  -9.181  -8.526
  154    HB2  SER  19           HB2      SER  19  -3.336 -11.111  -6.378
  155    HB3  SER  19           HB3      SER  19  -4.560 -11.421  -7.612
  156    HG   SER  19           HG       SER  19  -2.002 -11.889  -7.806
  157    H    ASP  20           H        ASP  20  -6.362  -8.967  -7.844
  158    HA   ASP  20           HA       ASP  20  -6.775  -7.254  -5.630
  159    HB2  ASP  20           HB2      ASP  20  -8.986  -7.079  -6.313
  160    HB3  ASP  20           HB3      ASP  20  -8.164  -7.482  -7.814
  161    H    LYS  21           H        LYS  21  -6.951 -10.692  -6.043
  162    HA   LYS  21           HA       LYS  21  -8.522 -11.360  -3.818
  163    HB2  LYS  21           HB2      LYS  21  -6.240 -12.931  -5.020
  164    HB3  LYS  21           HB3      LYS  21  -7.495 -13.572  -3.970
  165    HG2  LYS  21           HG2      LYS  21  -9.174 -12.942  -5.687
  166    HG3  LYS  21           HG3      LYS  21  -7.842 -12.473  -6.746
  167    HD2  LYS  21           HD2      LYS  21  -8.556 -14.702  -7.310
  168    HD3  LYS  21           HD3      LYS  21  -6.953 -14.773  -6.578
  169    HE2  LYS  21           HE2      LYS  21  -8.420 -16.546  -5.738
  170    HE3  LYS  21           HE3      LYS  21  -7.924 -15.439  -4.457
  171    HZ1  LYS  21           HZ1      LYS  21 -10.521 -15.306  -5.891
  172    HZ2  LYS  21           HZ2      LYS  21 -10.049 -14.350  -4.571
  173    HZ3  LYS  21           HZ3      LYS  21 -10.295 -16.017  -4.366
  174    H    LEU  22           H        LEU  22  -5.001 -10.930  -4.112
  175    HA   LEU  22           HA       LEU  22  -4.558 -11.469  -1.347
  176    HB2  LEU  22           HB2      LEU  22  -2.275 -10.775  -1.715
  177    HB3  LEU  22           HB3      LEU  22  -2.797 -11.829  -3.009
  178    HG   LEU  22           HG       LEU  22  -3.255  -9.549  -4.253
  179   HD11  LEU  22          HD11      LEU  22  -1.081  -8.781  -2.312
  180   HD12  LEU  22          HD12      LEU  22  -2.720  -8.132  -2.326
  181   HD13  LEU  22          HD13      LEU  22  -1.641  -7.831  -3.688
  182   HD21  LEU  22          HD21      LEU  22  -1.714 -11.306  -4.968
  183   HD22  LEU  22          HD22      LEU  22  -0.489 -10.682  -3.864
  184   HD23  LEU  22          HD23      LEU  22  -1.034  -9.702  -5.224
  185    H    LEU  23           H        LEU  23  -5.443  -8.689  -3.185
  186    HA   LEU  23           HA       LEU  23  -4.581  -6.683  -1.419
  187    HB2  LEU  23           HB2      LEU  23  -6.825  -6.695  -3.430
  188    HB3  LEU  23           HB3      LEU  23  -6.353  -5.275  -2.519
  189    HG   LEU  23           HG       LEU  23  -4.588  -6.777  -4.463
  190   HD11  LEU  23          HD11      LEU  23  -4.769  -4.761  -5.837
  191   HD12  LEU  23          HD12      LEU  23  -5.891  -4.062  -4.669
  192   HD13  LEU  23          HD13      LEU  23  -6.350  -5.502  -5.578
  193   HD21  LEU  23          HD21      LEU  23  -4.079  -4.279  -2.850
  194   HD22  LEU  23          HD22      LEU  23  -3.036  -4.889  -4.135
  195   HD23  LEU  23          HD23      LEU  23  -3.271  -5.836  -2.665
  196    H    ARG  24           H        ARG  24  -7.462  -8.726  -1.369
  197    HA   ARG  24           HA       ARG  24  -8.893  -7.160   0.538
  198    HB2  ARG  24           HB2      ARG  24 -10.367  -9.017   0.796
  199    HB3  ARG  24           HB3      ARG  24  -9.908  -8.956  -0.900
  200    HG2  ARG  24           HG2      ARG  24  -8.393 -10.785  -0.621
  201    HG3  ARG  24           HG3      ARG  24  -8.628 -10.774   1.128
  202    HD2  ARG  24           HD2      ARG  24 -10.763 -11.353  -0.921
  203    HD3  ARG  24           HD3      ARG  24  -9.899 -12.566   0.022
  204    HE   ARG  24           HE       ARG  24 -11.022 -10.774   1.834
  205   HH11  ARG  24          HH11      ARG  24 -12.093 -13.118  -0.537
  206   HH12  ARG  24          HH12      ARG  24 -13.600 -13.431   0.265
  207   HH21  ARG  24          HH21      ARG  24 -13.006 -11.182   2.889
  208   HH22  ARG  24          HH22      ARG  24 -14.138 -12.309   2.198
  209    H    LYS  25           H        LYS  25  -6.029  -8.609   0.881
  210    HA   LYS  25           HA       LYS  25  -6.394  -9.192   3.736
  211    HB2  LYS  25           HB2      LYS  25  -4.434 -10.403   1.799
  212    HB3  LYS  25           HB3      LYS  25  -4.429 -10.691   3.534
  213    HG2  LYS  25           HG2      LYS  25  -6.635 -11.695   3.398
  214    HG3  LYS  25           HG3      LYS  25  -6.694 -11.365   1.667
  215    HD2  LYS  25           HD2      LYS  25  -4.680 -13.141   3.044
  216    HD3  LYS  25           HD3      LYS  25  -6.094 -13.695   2.145
  217    HE2  LYS  25           HE2      LYS  25  -5.227 -12.651   0.122
  218    HE3  LYS  25           HE3      LYS  25  -3.822 -12.074   1.015
  219    HZ1  LYS  25           HZ1      LYS  25  -4.526 -14.941   0.678
  220    HZ2  LYS  25           HZ2      LYS  25  -3.112 -14.321   1.383
  221    HZ3  LYS  25           HZ3      LYS  25  -3.395 -14.117  -0.279
  222    H    VAL  26           H        VAL  26  -5.331  -6.888   1.746
  223    HA   VAL  26           HA       VAL  26  -2.844  -6.273   3.143
  224    HB   VAL  26           HB       VAL  26  -4.261  -4.663   1.008
  225   HG11  VAL  26          HG11      VAL  26  -1.452  -4.511   2.092
  226   HG12  VAL  26          HG12      VAL  26  -2.741  -3.336   2.361
  227   HG13  VAL  26          HG13      VAL  26  -2.081  -3.568   0.741
  228   HG21  VAL  26          HG21      VAL  26  -3.606  -6.874   0.175
  229   HG22  VAL  26          HG22      VAL  26  -1.954  -6.585   0.718
  230   HG23  VAL  26          HG23      VAL  26  -2.648  -5.589  -0.560
  231    H    ILE  27           H        ILE  27  -3.095  -5.422   5.098
  232    HA   ILE  27           HA       ILE  27  -5.605  -4.129   5.756
  233    HB   ILE  27           HB       ILE  27  -4.778  -4.264   8.106
  234   HG12  ILE  27          HG12      ILE  27  -2.501  -5.788   6.819
  235   HG13  ILE  27          HG13      ILE  27  -2.369  -4.235   7.634
  236   HG21  ILE  27          HG21      ILE  27  -5.034  -6.707   8.268
  237   HG22  ILE  27          HG22      ILE  27  -4.851  -6.826   6.518
  238   HG23  ILE  27          HG23      ILE  27  -6.232  -5.970   7.206
  239   HD11  ILE  27          HD11      ILE  27  -1.586  -6.027   9.052
  240   HD12  ILE  27          HD12      ILE  27  -3.141  -6.847   8.905
  241   HD13  ILE  27          HD13      ILE  27  -3.040  -5.293   9.733
  242    H    GLN  28           H        GLN  28  -2.319  -3.193   5.169
  243    HA   GLN  28           HA       GLN  28  -3.000  -0.457   5.931
  244    HB2  GLN  28           HB2      GLN  28  -0.605  -1.947   7.007
  245    HB3  GLN  28           HB3      GLN  28  -0.750  -0.194   7.045
  246    HG2  GLN  28           HG2      GLN  28  -2.672  -2.113   8.344
  247    HG3  GLN  28           HG3      GLN  28  -1.366  -1.268   9.172
  248   HE21  GLN  28          HE21      GLN  28  -2.922  -0.323  10.549
  249   HE22  GLN  28          HE22      GLN  28  -3.899   1.006  10.011
  250    H    VAL  29           H        VAL  29  -1.668   1.159   5.014
  251    HA   VAL  29           HA       VAL  29  -0.063   0.258   2.711
  252    HB   VAL  29           HB       VAL  29  -1.507   2.902   2.985
  253   HG11  VAL  29          HG11      VAL  29  -1.041   3.131   0.589
  254   HG12  VAL  29          HG12      VAL  29  -0.151   1.610   0.622
  255   HG13  VAL  29          HG13      VAL  29   0.442   2.997   1.536
  256   HG21  VAL  29          HG21      VAL  29  -3.133   2.039   1.377
  257   HG22  VAL  29          HG22      VAL  29  -3.121   1.078   2.857
  258   HG23  VAL  29          HG23      VAL  29  -2.328   0.469   1.403
  259    H    GLU  30           H        GLU  30   2.041   0.834   2.759
  260    HA   GLU  30           HA       GLU  30   2.871   2.657   4.925
  261    HB2  GLU  30           HB2      GLU  30   4.722   0.636   3.733
  262    HB3  GLU  30           HB3      GLU  30   4.668   1.274   5.372
  263    HG2  GLU  30           HG2      GLU  30   2.490   0.008   5.645
  264    HG3  GLU  30           HG3      GLU  30   2.886  -0.797   4.121
  265    H    LEU  31           H        LEU  31   3.840   4.480   4.321
  266    HA   LEU  31           HA       LEU  31   4.614   4.708   1.503
  267    HB2  LEU  31           HB2      LEU  31   2.902   6.262   2.224
  268    HB3  LEU  31           HB3      LEU  31   3.921   6.832   3.529
  269    HG   LEU  31           HG       LEU  31   5.400   7.939   2.021
  270   HD11  LEU  31          HD11      LEU  31   5.166   7.809  -0.404
  271   HD12  LEU  31          HD12      LEU  31   3.862   6.634  -0.221
  272   HD13  LEU  31          HD13      LEU  31   5.500   6.221   0.289
  273   HD21  LEU  31          HD21      LEU  31   3.910   9.499   0.908
  274   HD22  LEU  31          HD22      LEU  31   3.280   9.084   2.502
  275   HD23  LEU  31          HD23      LEU  31   2.574   8.357   1.058
  276    H    GLN  32           H        GLN  32   6.634   4.451   1.097
  277    HA   GLN  32           HA       GLN  32   8.714   5.244   2.982
  278    HB2  GLN  32           HB2      GLN  32   8.877   3.106   1.720
  279    HB3  GLN  32           HB3      GLN  32   8.917   4.019   0.220
  280    HG2  GLN  32           HG2      GLN  32  10.988   5.142   1.076
  281    HG3  GLN  32           HG3      GLN  32  10.974   3.984   2.407
  282   HE21  GLN  32          HE21      GLN  32   9.995   3.284  -0.876
  283   HE22  GLN  32          HE22      GLN  32  11.284   2.190  -1.228
  284    H    GLU  33           H        GLU  33   9.524   7.256   2.898
  285    HA   GLU  33           HA       GLU  33   8.994   8.852   0.513
  286    HB2  GLU  33           HB2      GLU  33   9.938   9.688   3.259
  287    HB3  GLU  33           HB3      GLU  33   9.571  10.782   1.930
  288    HG2  GLU  33           HG2      GLU  33   7.245   9.962   1.938
  289    HG3  GLU  33           HG3      GLU  33   7.629   8.956   3.334
  290    H    ALA  34           H        ALA  34  10.684  10.256  -0.317
  291    HA   ALA  34           HA       ALA  34  12.836   8.692  -1.168
  292    HB1  ALA  34           HB1      ALA  34  12.560  11.685  -1.338
  293    HB2  ALA  34           HB2      ALA  34  11.877  10.520  -2.473
  294    HB3  ALA  34           HB3      ALA  34  13.626  10.677  -2.315
  295    H    ASP  35           H        ASP  35  12.593  10.493   1.692
  296    HA   ASP  35           HA       ASP  35  15.327   9.822   2.355
  297    HB2  ASP  35           HB2      ASP  35  15.937  12.031   3.153
  298    HB3  ASP  35           HB3      ASP  35  15.510  12.122   1.450
  299    H    GLY  36           H        GLY  36  12.331   9.471   3.001
  300    HA2  GLY  36           HA2      GLY  36  12.422   9.992   5.887
  301    HA3  GLY  36           HA3      GLY  36  10.986   9.576   4.956
  302    H    ASP  37           H        ASP  37  13.683   8.420   6.714
  303    HA   ASP  37           HA       ASP  37  14.171   6.415   7.646
  304    HB2  ASP  37           HB2      ASP  37  11.476   5.747   6.536
  305    HB3  ASP  37           HB3      ASP  37  12.520   4.445   7.099
  306    H    CYS  38           H        CYS  38  13.940   6.957   4.355
  307    HA   CYS  38           HA       CYS  38  15.971   4.963   3.859
  308    HB2  CYS  38           HB2      CYS  38  13.584   3.969   3.475
  309    HB3  CYS  38           HB3      CYS  38  13.627   4.920   1.997
  310    H    HIS  39           H        HIS  39  15.960   5.068   1.074
  311    HA   HIS  39           HA       HIS  39  16.557   7.917   0.620
  312    HB2  HIS  39           HB2      HIS  39  18.483   7.166  -0.764
  313    HB3  HIS  39           HB3      HIS  39  18.627   6.746   0.938
  314    HD1  HIS  39           HD1      HIS  39  18.619   4.252   1.557
  315    HD2  HIS  39           HD2      HIS  39  18.200   4.973  -2.522
  316    HE1  HIS  39           HE1      HIS  39  18.946   2.023   0.432
  317    HE2  HIS  39           HE2      HIS  39  18.920   2.529  -2.039
  318    H    LEU  40           H        LEU  40  14.247   6.067  -0.179
  319    HA   LEU  40           HA       LEU  40  13.975   7.223  -2.804
  320    HB2  LEU  40           HB2      LEU  40  13.545   5.222  -4.016
  321    HB3  LEU  40           HB3      LEU  40  15.107   5.041  -3.241
  322    HG   LEU  40           HG       LEU  40  12.854   3.969  -1.686
  323   HD11  LEU  40          HD11      LEU  40  13.654   2.718  -4.310
  324   HD12  LEU  40          HD12      LEU  40  12.078   3.410  -3.919
  325   HD13  LEU  40          HD13      LEU  40  12.642   1.965  -3.077
  326   HD21  LEU  40          HD21      LEU  40  15.210   3.682  -1.059
  327   HD22  LEU  40          HD22      LEU  40  15.499   2.812  -2.567
  328   HD23  LEU  40          HD23      LEU  40  14.414   2.137  -1.351
  329    H    GLN  41           H        GLN  41  11.745   6.942  -3.631
  330    HA   GLN  41           HA       GLN  41   9.886   6.728  -1.377
  331    HB2  GLN  41           HB2      GLN  41   9.876   8.839  -2.671
  332    HB3  GLN  41           HB3      GLN  41   9.441   7.934  -4.117
  333    HG2  GLN  41           HG2      GLN  41   7.386   7.173  -2.944
  334    HG3  GLN  41           HG3      GLN  41   7.804   8.252  -1.614
  335   HE21  GLN  41          HE21      GLN  41   8.363   9.000  -4.984
  336   HE22  GLN  41          HE22      GLN  41   7.193  10.270  -5.094
  337    H    ALA  42           H        ALA  42   8.277   5.260  -1.319
  338    HA   ALA  42           HA       ALA  42   7.296   3.956  -3.678
  339    HB1  ALA  42           HB1      ALA  42   8.542   2.142  -1.628
  340    HB2  ALA  42           HB2      ALA  42   9.362   2.619  -3.117
  341    HB3  ALA  42           HB3      ALA  42   7.852   1.709  -3.192
  342    H    PHE  43           H        PHE  43   5.309   3.049  -3.364
  343    HA   PHE  43           HA       PHE  43   4.161   3.355  -0.692
  344    HB2  PHE  43           HB2      PHE  43   2.985   3.144  -3.441
  345    HB3  PHE  43           HB3      PHE  43   2.007   2.757  -2.031
  346    HD1  PHE  43           HD1      PHE  43   3.878   5.435  -3.732
  347    HD2  PHE  43           HD2      PHE  43   1.138   4.441  -0.638
  348    HE1  PHE  43           HE1      PHE  43   3.341   7.818  -3.453
  349    HE2  PHE  43           HE2      PHE  43   0.595   6.823  -0.348
  350    HZ   PHE  43           HZ       PHE  43   1.696   8.514  -1.759
  351    H    VAL  44           H        VAL  44   4.561   1.634   0.485
  352    HA   VAL  44           HA       VAL  44   4.657  -0.999  -0.785
  353    HB   VAL  44           HB       VAL  44   5.557  -0.105   1.966
  354   HG11  VAL  44          HG11      VAL  44   5.991  -2.730   0.538
  355   HG12  VAL  44          HG12      VAL  44   4.993  -2.473   1.970
  356   HG13  VAL  44          HG13      VAL  44   6.742  -2.257   2.062
  357   HG21  VAL  44          HG21      VAL  44   6.858   0.920   0.202
  358   HG22  VAL  44          HG22      VAL  44   7.105  -0.649  -0.565
  359   HG23  VAL  44          HG23      VAL  44   7.823  -0.317   1.015
  360    H    LEU  45           H        LEU  45   3.245  -2.627  -0.223
  361    HA   LEU  45           HA       LEU  45   0.943  -1.724   1.349
  362    HB2  LEU  45           HB2      LEU  45   1.194  -3.821  -0.796
  363    HB3  LEU  45           HB3      LEU  45  -0.250  -3.624   0.187
  364    HG   LEU  45           HG       LEU  45   0.935  -1.585  -1.692
  365   HD11  LEU  45          HD11      LEU  45  -0.278  -3.384  -2.807
  366   HD12  LEU  45          HD12      LEU  45  -1.133  -1.845  -2.929
  367   HD13  LEU  45          HD13      LEU  45  -1.680  -3.071  -1.783
  368   HD21  LEU  45          HD21      LEU  45  -1.467  -1.378   0.116
  369   HD22  LEU  45          HD22      LEU  45  -0.990  -0.194  -1.100
  370   HD23  LEU  45          HD23      LEU  45   0.048  -0.497   0.291
  371    H    HIS  46           H        HIS  46   0.485  -2.563   3.212
  372    HA   HIS  46           HA       HIS  46   2.157  -4.782   4.144
  373    HB2  HIS  46           HB2      HIS  46   2.276  -2.706   5.443
  374    HB3  HIS  46           HB3      HIS  46   0.536  -2.750   5.699
  375    HD1  HIS  46           HD1      HIS  46  -0.282  -4.020   7.682
  376    HD2  HIS  46           HD2      HIS  46   3.701  -4.834   6.834
  377    HE1  HIS  46           HE1      HIS  46   0.544  -5.405   9.606
  378    HE2  HIS  46           HE2      HIS  46   2.992  -5.746   9.158
  379    H    LEU  47           H        LEU  47   1.187  -6.641   3.727
  380    HA   LEU  47           HA       LEU  47  -1.661  -7.005   4.053
  381    HB2  LEU  47           HB2      LEU  47   0.550  -8.984   3.449
  382    HB3  LEU  47           HB3      LEU  47  -1.153  -9.385   3.506
  383    HG   LEU  47           HG       LEU  47  -1.427  -7.601   1.656
  384   HD11  LEU  47          HD11      LEU  47   0.789  -6.615   1.819
  385   HD12  LEU  47          HD12      LEU  47   0.521  -7.306   0.220
  386   HD13  LEU  47          HD13      LEU  47   1.522  -8.161   1.393
  387   HD21  LEU  47          HD21      LEU  47  -0.029 -10.217   1.127
  388   HD22  LEU  47          HD22      LEU  47  -0.904  -9.263  -0.072
  389   HD23  LEU  47          HD23      LEU  47  -1.767  -9.967   1.296
  390    H    ALA  48           H        ALA  48  -2.268  -9.069   5.360
  391    HA   ALA  48           HA       ALA  48  -1.856  -8.370   8.050
  392    HB1  ALA  48           HB1      ALA  48  -3.894  -9.440   7.228
  393    HB2  ALA  48           HB2      ALA  48  -3.200 -10.317   8.594
  394    HB3  ALA  48           HB3      ALA  48  -2.997 -10.934   6.952
  395    H    GLN  49           H        GLN  49   0.106 -10.283   6.013
  396    HA   GLN  49           HA       GLN  49   1.539 -11.290   8.365
  397    HB2  GLN  49           HB2      GLN  49   0.957 -12.996   5.937
  398    HB3  GLN  49           HB3      GLN  49   1.861 -13.480   7.363
  399    HG2  GLN  49           HG2      GLN  49  -0.052 -14.332   8.099
  400    HG3  GLN  49           HG3      GLN  49  -0.545 -12.673   8.413
  401   HE21  GLN  49          HE21      GLN  49  -0.633 -12.101   5.513
  402   HE22  GLN  49          HE22      GLN  49  -2.098 -12.820   4.968
  403    H    ARG  50           H        ARG  50   1.853  -9.306   5.849
  404    HA   ARG  50           HA       ARG  50   4.659  -9.594   5.555
  405    HB2  ARG  50           HB2      ARG  50   4.799 -10.388   3.271
  406    HB3  ARG  50           HB3      ARG  50   3.951 -11.573   4.255
  407    HG2  ARG  50           HG2      ARG  50   1.823 -10.831   3.376
  408    HG3  ARG  50           HG3      ARG  50   2.625  -9.569   2.439
  409    HD2  ARG  50           HD2      ARG  50   2.884 -12.550   2.105
  410    HD3  ARG  50           HD3      ARG  50   2.144 -11.407   0.982
  411    HE   ARG  50           HE       ARG  50   4.861 -10.727   1.483
  412   HH11  ARG  50          HH11      ARG  50   2.848 -12.950  -0.348
  413   HH12  ARG  50          HH12      ARG  50   4.095 -13.308  -1.506
  414   HH21  ARG  50          HH21      ARG  50   6.470 -11.153  -0.065
  415   HH22  ARG  50          HH22      ARG  50   6.138 -12.255  -1.373
  416    H    SER  51           H        SER  51   5.404  -8.297   3.477
  417    HA   SER  51           HA       SER  51   3.538  -6.133   2.843
  418    HB2  SER  51           HB2      SER  51   6.324  -5.737   3.964
  419    HB3  SER  51           HB3      SER  51   5.410  -4.465   3.156
  420    HG   SER  51           HG       SER  51   4.685  -4.110   5.098
  421    H    ILE  52           H        ILE  52   3.672  -5.428   0.788
  422    HA   ILE  52           HA       ILE  52   5.873  -6.470  -0.891
  423    HB   ILE  52           HB       ILE  52   3.038  -5.861  -1.762
  424   HG12  ILE  52          HG12      ILE  52   4.394  -8.547  -1.433
  425   HG13  ILE  52          HG13      ILE  52   3.224  -7.878  -0.301
  426   HG21  ILE  52          HG21      ILE  52   4.678  -5.510  -3.536
  427   HG22  ILE  52          HG22      ILE  52   3.692  -6.934  -3.871
  428   HG23  ILE  52          HG23      ILE  52   5.334  -7.124  -3.261
  429   HD11  ILE  52          HD11      ILE  52   2.700  -8.568  -3.182
  430   HD12  ILE  52          HD12      ILE  52   1.524  -7.901  -2.050
  431   HD13  ILE  52          HD13      ILE  52   2.199  -9.509  -1.779
  432    H    CYS  53           H        CYS  53   6.864  -4.993  -2.319
  433    HA   CYS  53           HA       CYS  53   6.325  -2.214  -1.526
  434    HB2  CYS  53           HB2      CYS  53   8.805  -3.381  -2.796
  435    HB3  CYS  53           HB3      CYS  53   8.631  -1.764  -2.118
  436    H    ILE  54           H        ILE  54   5.464  -0.857  -2.915
  437    HA   ILE  54           HA       ILE  54   5.471  -1.576  -5.765
  438    HB   ILE  54           HB       ILE  54   3.329  -0.464  -3.992
  439   HG12  ILE  54          HG12      ILE  54   3.394  -2.624  -6.105
  440   HG13  ILE  54          HG13      ILE  54   3.400  -2.871  -4.363
  441   HG21  ILE  54          HG21      ILE  54   1.995   0.097  -5.976
  442   HG22  ILE  54          HG22      ILE  54   3.422  -0.166  -6.978
  443   HG23  ILE  54          HG23      ILE  54   3.412   1.129  -5.779
  444   HD11  ILE  54          HD11      ILE  54   1.208  -3.291  -5.332
  445   HD12  ILE  54          HD12      ILE  54   1.157  -1.638  -5.948
  446   HD13  ILE  54          HD13      ILE  54   1.164  -1.932  -4.208
  447    H    HIS  55           H        HIS  55   6.156  -0.120  -7.204
  448    HA   HIS  55           HA       HIS  55   7.414   2.301  -6.555
  449    HB2  HIS  55           HB2      HIS  55   7.802   1.036  -8.649
  450    HB3  HIS  55           HB3      HIS  55   6.172   1.433  -9.187
  451    HD1  HIS  55           HD1      HIS  55   5.943   3.502 -10.555
  452    HD2  HIS  55           HD2      HIS  55   9.519   3.408  -8.428
  453    HE1  HIS  55           HE1      HIS  55   7.265   5.485 -11.353
  454    HE2  HIS  55           HE2      HIS  55   9.416   5.425 -10.046
  455    HA   PRO  56           HA       PRO  56   4.008   4.843  -5.386
  456    HB2  PRO  56           HB2      PRO  56   5.543   6.999  -6.760
  457    HB3  PRO  56           HB3      PRO  56   4.852   6.972  -5.133
  458    HG2  PRO  56           HG2      PRO  56   7.464   6.644  -5.501
  459    HG3  PRO  56           HG3      PRO  56   6.593   5.707  -4.272
  460    HD2  PRO  56           HD2      PRO  56   7.615   4.851  -6.941
  461    HD3  PRO  56           HD3      PRO  56   7.493   3.927  -5.432
  462    H    GLN  57           H        GLN  57   5.318   5.672  -8.607
  463    HA   GLN  57           HA       GLN  57   2.677   6.250  -9.599
  464    HB2  GLN  57           HB2      GLN  57   5.249   5.874 -11.151
  465    HB3  GLN  57           HB3      GLN  57   3.758   6.574 -11.766
  466    HG2  GLN  57           HG2      GLN  57   5.537   7.726  -9.627
  467    HG3  GLN  57           HG3      GLN  57   5.361   8.311 -11.280
  468   HE21  GLN  57          HE21      GLN  57   3.921   8.113  -8.142
  469   HE22  GLN  57          HE22      GLN  57   2.659   9.267  -8.405
  470    H    ASN  58           H        ASN  58   1.725   4.236  -8.975
  471    HA   ASN  58           HA       ASN  58   1.898   2.257 -11.103
  472    HB2  ASN  58           HB2      ASN  58   3.353   1.496  -9.216
  473    HB3  ASN  58           HB3      ASN  58   1.948   1.539  -8.161
  474   HD21  ASN  58          HD21      ASN  58   3.712  -0.626  -8.920
  475   HD22  ASN  58          HD22      ASN  58   2.697  -1.857  -9.559
  476    HA   PRO  59           HA       PRO  59  -2.525   2.908 -10.912
  477    HB2  PRO  59           HB2      PRO  59  -3.058   0.425 -12.108
  478    HB3  PRO  59           HB3      PRO  59  -2.872   1.969 -12.943
  479    HG2  PRO  59           HG2      PRO  59  -0.886  -0.217 -12.531
  480    HG3  PRO  59           HG3      PRO  59  -1.109   0.856 -13.926
  481    HD2  PRO  59           HD2      PRO  59   0.902   1.228 -12.213
  482    HD3  PRO  59           HD3      PRO  59   0.030   2.610 -12.910
  483    H    SER  60           H        SER  60  -0.974  -0.117  -9.916
  484    HA   SER  60           HA       SER  60  -3.232  -1.286  -8.712
  485    HB2  SER  60           HB2      SER  60  -1.214  -2.558  -9.306
  486    HB3  SER  60           HB3      SER  60  -0.310  -1.710  -8.050
  487    HG   SER  60           HG       SER  60  -2.255  -2.618  -6.719
  488    H    LEU  61           H        LEU  61  -0.894   1.029  -7.510
  489    HA   LEU  61           HA       LEU  61  -1.709   0.688  -4.765
  490    HB2  LEU  61           HB2      LEU  61   0.594   1.443  -5.726
  491    HB3  LEU  61           HB3      LEU  61  -0.147   3.026  -5.804
  492    HG   LEU  61           HG       LEU  61   1.222   2.746  -3.787
  493   HD11  LEU  61          HD11      LEU  61  -0.365   3.537  -2.157
  494   HD12  LEU  61          HD12      LEU  61  -1.708   2.919  -3.121
  495   HD13  LEU  61          HD13      LEU  61  -0.719   4.245  -3.734
  496   HD21  LEU  61          HD21      LEU  61   0.548   1.228  -2.006
  497   HD22  LEU  61          HD22      LEU  61   0.938   0.340  -3.480
  498   HD23  LEU  61          HD23      LEU  61  -0.747   0.593  -3.025
  499    H    SER  62           H        SER  62  -2.081   3.197  -7.262
  500    HA   SER  62           HA       SER  62  -3.650   4.982  -5.779
  501    HB2  SER  62           HB2      SER  62  -2.539   5.453  -7.986
  502    HB3  SER  62           HB3      SER  62  -3.795   4.498  -8.769
  503    HG   SER  62           HG       SER  62  -4.451   6.599  -8.870
  504    H    GLN  63           H        GLN  63  -4.626   2.405  -8.036
  505    HA   GLN  63           HA       GLN  63  -7.401   2.674  -7.621
  506    HB2  GLN  63           HB2      GLN  63  -5.764   0.311  -8.543
  507    HB3  GLN  63           HB3      GLN  63  -7.522   0.339  -8.548
  508    HG2  GLN  63           HG2      GLN  63  -7.469   2.254 -10.084
  509    HG3  GLN  63           HG3      GLN  63  -5.710   2.177 -10.097
  510   HE21  GLN  63          HE21      GLN  63  -5.710  -0.766 -10.056
  511   HE22  GLN  63          HE22      GLN  63  -6.158  -1.262 -11.642
  512    H    TRP  64           H        TRP  64  -4.893   1.013  -5.826
  513    HA   TRP  64           HA       TRP  64  -6.595  -0.632  -4.305
  514    HB2  TRP  64           HB2      TRP  64  -4.197  -1.062  -4.300
  515    HB3  TRP  64           HB3      TRP  64  -3.893   0.505  -3.556
  516    HD1  TRP  64           HD1      TRP  64  -3.053  -0.056  -1.181
  517    HE1  TRP  64           HE1      TRP  64  -3.946  -1.453   0.784
  518    HE3  TRP  64           HE3      TRP  64  -7.041  -2.297  -3.488
  519    HZ2  TRP  64           HZ2      TRP  64  -6.041  -3.258   1.296
  520    HZ3  TRP  64           HZ3      TRP  64  -8.437  -3.830  -2.181
  521    HH2  TRP  64           HH2      TRP  64  -7.950  -4.303   0.157
  522    H    PHE  65           H        PHE  65  -5.437   2.682  -3.758
  523    HA   PHE  65           HA       PHE  65  -6.629   3.093  -1.281
  524    HB2  PHE  65           HB2      PHE  65  -6.136   4.967  -3.582
  525    HB3  PHE  65           HB3      PHE  65  -6.875   5.520  -2.082
  526    HD1  PHE  65           HD1      PHE  65  -5.336   3.950  -0.104
  527    HD2  PHE  65           HD2      PHE  65  -4.066   6.017  -3.598
  528    HE1  PHE  65           HE1      PHE  65  -3.111   4.266   0.900
  529    HE2  PHE  65           HE2      PHE  65  -1.839   6.336  -2.600
  530    HZ   PHE  65           HZ       PHE  65  -1.359   5.463  -0.351
  531    H    GLU  66           H        GLU  66  -8.054   3.318  -4.514
  532    HA   GLU  66           HA       GLU  66 -10.664   4.045  -3.684
  533    HB2  GLU  66           HB2      GLU  66  -9.619   2.625  -6.128
  534    HB3  GLU  66           HB3      GLU  66 -11.327   2.976  -5.908
  535    HG2  GLU  66           HG2      GLU  66  -9.168   5.068  -5.893
  536    HG3  GLU  66           HG3      GLU  66 -10.087   4.601  -7.323
  537    H    HIS  67           H        HIS  67  -9.191   0.889  -4.382
  538    HA   HIS  67           HA       HIS  67 -11.665  -0.483  -3.984
  539    HB2  HIS  67           HB2      HIS  67  -8.863  -1.417  -4.523
  540    HB3  HIS  67           HB3      HIS  67 -10.152  -2.556  -4.143
  541    HD1  HIS  67           HD1      HIS  67 -11.755  -3.164  -5.997
  542    HD2  HIS  67           HD2      HIS  67  -9.271   0.028  -6.990
  543    HE1  HIS  67           HE1      HIS  67 -12.145  -2.731  -8.442
  544    HE2  HIS  67           HE2      HIS  67 -10.711  -0.730  -9.005
  545    H    GLN  68           H        GLN  68  -8.883   0.177  -1.916
  546    HA   GLN  68           HA       GLN  68  -9.626  -1.655   0.141
  547    HB2  GLN  68           HB2      GLN  68  -8.101  -0.435   1.576
  548    HB3  GLN  68           HB3      GLN  68  -7.362  -0.665   0.000
  549    HG2  GLN  68           HG2      GLN  68  -7.881   1.626  -0.601
  550    HG3  GLN  68           HG3      GLN  68  -8.685   1.867   0.949
  551   HE21  GLN  68          HE21      GLN  68  -7.306   3.532   1.502
  552   HE22  GLN  68          HE22      GLN  68  -5.670   3.258   1.974
  553    H    GLU  69           H        GLU  69 -10.551   1.576  -0.741
  554    HA   GLU  69           HA       GLU  69 -11.945   2.341   1.570
  555    HB2  GLU  69           HB2      GLU  69 -11.477   3.880  -0.277
  556    HB3  GLU  69           HB3      GLU  69 -12.522   2.955  -1.341
  557    HG2  GLU  69           HG2      GLU  69 -13.679   4.920  -0.677
  558    HG3  GLU  69           HG3      GLU  69 -14.441   3.543   0.111
  559    H    ARG  70           H        ARG  70 -12.810   0.248  -1.122
  560    HA   ARG  70           HA       ARG  70 -15.314  -0.404   0.284
  561    HB2  ARG  70           HB2      ARG  70 -15.990  -1.372  -2.008
  562    HB3  ARG  70           HB3      ARG  70 -16.023   0.369  -1.781
  563    HG2  ARG  70           HG2      ARG  70 -13.973   0.627  -2.985
  564    HG3  ARG  70           HG3      ARG  70 -13.752  -1.124  -3.071
  565    HD2  ARG  70           HD2      ARG  70 -15.451  -1.393  -4.617
  566    HD3  ARG  70           HD3      ARG  70 -16.235   0.119  -4.171
  567    HE   ARG  70           HE       ARG  70 -14.229   1.213  -5.257
  568   HH11  ARG  70          HH11      ARG  70 -15.366  -1.959  -6.222
  569   HH12  ARG  70          HH12      ARG  70 -14.900  -1.757  -7.889
  570   HH21  ARG  70          HH21      ARG  70 -13.620   1.477  -7.453
  571   HH22  ARG  70          HH22      ARG  70 -13.934   0.193  -8.582
  572    H    LYS  71           H        LYS  71 -12.613  -1.560   0.769
  573    HA   LYS  71           HA       LYS  71 -13.515  -4.344   0.607
  574    HB2  LYS  71           HB2      LYS  71 -11.581  -3.566  -1.091
  575    HB3  LYS  71           HB3      LYS  71 -10.587  -3.903   0.321
  576    HG2  LYS  71           HG2      LYS  71 -11.518  -6.172   0.422
  577    HG3  LYS  71           HG3      LYS  71 -12.484  -5.828  -1.008
  578    HD2  LYS  71           HD2      LYS  71  -9.474  -5.723  -0.907
  579    HD3  LYS  71           HD3      LYS  71 -10.413  -7.100  -1.489
  580    HE2  LYS  71           HE2      LYS  71 -11.482  -5.474  -3.126
  581    HE3  LYS  71           HE3      LYS  71 -10.210  -4.342  -2.664
  582    HZ1  LYS  71           HZ1      LYS  71  -9.591  -5.563  -4.634
  583    HZ2  LYS  71           HZ2      LYS  71  -9.813  -7.042  -3.831
  584    HZ3  LYS  71           HZ3      LYS  71  -8.571  -5.995  -3.350
  585    H    LEU  72           H        LEU  72 -11.259  -5.470   1.968
  586    HA   LEU  72           HA       LEU  72 -10.896  -6.063   4.132
  587    HB2  LEU  72           HB2      LEU  72 -10.446  -3.102   4.134
  588    HB3  LEU  72           HB3      LEU  72 -10.314  -4.014   5.624
  589    HG   LEU  72           HG       LEU  72  -8.486  -5.317   4.714
  590   HD11  LEU  72          HD11      LEU  72  -7.533  -4.843   2.522
  591   HD12  LEU  72          HD12      LEU  72  -8.836  -3.700   2.194
  592   HD13  LEU  72          HD13      LEU  72  -9.193  -5.418   2.376
  593   HD21  LEU  72          HD21      LEU  72  -6.848  -3.539   4.519
  594   HD22  LEU  72          HD22      LEU  72  -8.025  -3.173   5.780
  595   HD23  LEU  72          HD23      LEU  72  -8.136  -2.374   4.211
  596    H    HIS  73           H        HIS  73 -12.080  -3.042   5.281
  597    HA   HIS  73           HA       HIS  73 -14.751  -3.857   5.866
  598    HB2  HIS  73           HB2      HIS  73 -13.347  -5.151   7.541
  599    HB3  HIS  73           HB3      HIS  73 -12.858  -3.605   8.216
  600    HD1  HIS  73           HD1      HIS  73 -13.957  -4.350  10.476
  601    HD2  HIS  73           HD2      HIS  73 -16.609  -3.904   7.302
  602    HE1  HIS  73           HE1      HIS  73 -16.252  -4.260  11.509
  603    HE2  HIS  73           HE2      HIS  73 -17.797  -3.728   9.590
  604    H    GLY  74           H        GLY  74 -12.786  -1.654   4.908
  605    HA2  GLY  74           HA2      GLY  74 -12.868   0.650   4.832
  606    HA3  GLY  74           HA3      GLY  74 -14.234   0.595   5.937
  607    H    THR  75           H        THR  75 -11.687  -1.180   7.155
  608    HA   THR  75           HA       THR  75 -11.157   0.833   9.165
  609    HB   THR  75           HB       THR  75  -9.855  -1.009  10.261
  610    HG1  THR  75           HG1      THR  75  -9.393  -2.164   8.283
  611   HG21  THR  75          HG21      THR  75 -11.832  -2.352  10.848
  612   HG22  THR  75          HG22      THR  75 -12.704  -1.657   9.481
  613   HG23  THR  75          HG23      THR  75 -12.201  -0.629  10.821
  614    H    LEU  76           H        LEU  76  -9.684   2.317   8.667
  615    HA   LEU  76           HA       LEU  76  -7.042   1.571   7.775
  616    HB2  LEU  76           HB2      LEU  76  -8.818   3.329   6.069
  617    HB3  LEU  76           HB3      LEU  76  -7.098   3.120   5.832
  618    HG   LEU  76           HG       LEU  76  -9.022   0.810   5.682
  619   HD11  LEU  76          HD11      LEU  76  -8.066   2.584   3.440
  620   HD12  LEU  76          HD12      LEU  76  -9.718   2.475   4.045
  621   HD13  LEU  76          HD13      LEU  76  -8.975   1.085   3.251
  622   HD21  LEU  76          HD21      LEU  76  -6.640   0.298   6.011
  623   HD22  LEU  76          HD22      LEU  76  -6.250   1.230   4.565
  624   HD23  LEU  76          HD23      LEU  76  -7.221  -0.237   4.436
  625    HA   PRO  77           HA       PRO  77  -6.316   5.367   9.995
  626    HB2  PRO  77           HB2      PRO  77  -3.734   5.753   9.463
  627    HB3  PRO  77           HB3      PRO  77  -4.270   4.349  10.396
  628    HG2  PRO  77           HG2      PRO  77  -3.446   4.515   7.530
  629    HG3  PRO  77           HG3      PRO  77  -3.121   3.243   8.720
  630    HD2  PRO  77           HD2      PRO  77  -5.137   3.187   6.789
  631    HD3  PRO  77           HD3      PRO  77  -5.065   2.166   8.239
  632    H    LYS  78           H        LYS  78  -5.510   7.621   9.667
  633    HA   LYS  78           HA       LYS  78  -6.341   8.629   7.094
  634    HB2  LYS  78           HB2      LYS  78  -5.745  10.878   8.140
  635    HB3  LYS  78           HB3      LYS  78  -7.048   9.972   8.893
  636    HG2  LYS  78           HG2      LYS  78  -5.587   9.252  10.664
  637    HG3  LYS  78           HG3      LYS  78  -4.203  10.016   9.880
  638    HD2  LYS  78           HD2      LYS  78  -5.251  12.206  10.161
  639    HD3  LYS  78           HD3      LYS  78  -6.650  11.443  10.923
  640    HE2  LYS  78           HE2      LYS  78  -4.993  12.433  12.519
  641    HE3  LYS  78           HE3      LYS  78  -5.346  10.726  12.781
  642    HZ1  LYS  78           HZ1      LYS  78  -2.957  11.295  12.911
  643    HZ2  LYS  78           HZ2      LYS  78  -2.994  11.725  11.267
  644    HZ3  LYS  78           HZ3      LYS  78  -3.307  10.123  11.737
  645    H    LEU  79           H        LEU  79  -4.828   7.820   5.669
  646    HA   LEU  79           HA       LEU  79  -2.109   8.882   5.956
  647    HB2  LEU  79           HB2      LEU  79  -1.576   7.046   4.224
  648    HB3  LEU  79           HB3      LEU  79  -1.791   6.618   5.908
  649    HG   LEU  79           HG       LEU  79  -4.200   6.016   5.277
  650   HD11  LEU  79          HD11      LEU  79  -2.985   6.045   2.523
  651   HD12  LEU  79          HD12      LEU  79  -4.257   7.119   3.103
  652   HD13  LEU  79          HD13      LEU  79  -4.564   5.389   2.952
  653   HD21  LEU  79          HD21      LEU  79  -2.435   4.410   5.811
  654   HD22  LEU  79          HD22      LEU  79  -1.933   4.412   4.121
  655   HD23  LEU  79          HD23      LEU  79  -3.526   3.801   4.567
  656    H    ASN  80           H        ASN  80  -4.294  10.384   4.954
  657    HA   ASN  80           HA       ASN  80  -4.946  11.703   3.218
  658    HB2  ASN  80           HB2      ASN  80  -3.049  12.970   2.200
  659    HB3  ASN  80           HB3      ASN  80  -3.055  12.935   3.952
  660   HD21  ASN  80          HD21      ASN  80  -1.440  11.818   5.036
  661   HD22  ASN  80          HD22      ASN  80   0.008  11.296   4.247
  662    H    PHE  81           H        PHE  81  -5.354   9.234   2.330
  663    HA   PHE  81           HA       PHE  81  -4.046   8.623  -0.108
  664    HB2  PHE  81           HB2      PHE  81  -6.006   7.071  -0.460
  665    HB3  PHE  81           HB3      PHE  81  -5.100   6.820   1.024
  666    HD1  PHE  81           HD2      PHE  81  -6.066   7.469   3.191
  667    HD2  PHE  81           HD1      PHE  81  -8.290   7.748  -0.426
  668    HE1  PHE  81           HE2      PHE  81  -8.150   7.626   4.486
  669    HE2  PHE  81           HE1      PHE  81 -10.377   7.899   0.865
  670    HZ   PHE  81           HZ       PHE  81 -10.308   7.842   3.325
  671    H    GLY  82           H        GLY  82  -6.326  10.980   0.683
  672    HA2  GLY  82           HA2      GLY  82  -7.664  11.061  -1.874
  673    HA3  GLY  82           HA3      GLY  82  -7.793  12.247  -0.584
  674    H    MET  83           H        MET  83  -4.585  11.961  -0.937
  675    HA   MET  83           HA       MET  83  -4.380  14.470  -2.292
  676    HB2  MET  83           HB2      MET  83  -2.007  14.327  -1.887
  677    HB3  MET  83           HB3      MET  83  -2.846  13.760  -0.446
  678    HG2  MET  83           HG2      MET  83  -2.344  11.519  -0.895
  679    HG3  MET  83           HG3      MET  83  -1.885  11.867  -2.560
  680    HE1  MET  83           HE1      MET  83   0.159  10.324  -2.218
  681    HE2  MET  83           HE2      MET  83  -0.166  10.048  -0.505
  682    HE3  MET  83           HE3      MET  83   1.434  10.581  -1.026
  683    H    LEU  84           H        LEU  84  -4.367  11.235  -3.368
  684    HA   LEU  84           HA       LEU  84  -3.288  12.070  -5.927
  685    HB2  LEU  84           HB2      LEU  84  -1.640  10.381  -6.103
  686    HB3  LEU  84           HB3      LEU  84  -1.375  11.276  -4.630
  687    HG   LEU  84           HG       LEU  84  -0.900   9.106  -4.016
  688   HD11  LEU  84          HD11      LEU  84  -2.637   8.311  -2.541
  689   HD12  LEU  84          HD12      LEU  84  -3.817   9.337  -3.354
  690   HD13  LEU  84          HD13      LEU  84  -2.492  10.065  -2.448
  691   HD21  LEU  84          HD21      LEU  84  -3.256   8.209  -5.639
  692   HD22  LEU  84          HD22      LEU  84  -2.271   7.152  -4.625
  693   HD23  LEU  84          HD23      LEU  84  -1.548   7.976  -6.005
  694    H    ARG  85           H        ARG  85  -5.731  10.519  -4.413
  695    HA   ARG  85           HA       ARG  85  -6.212   8.407  -6.265
  696    HB2  ARG  85           HB2      ARG  85  -7.985   9.854  -4.312
  697    HB3  ARG  85           HB3      ARG  85  -8.647   8.693  -5.451
  698    HG2  ARG  85           HG2      ARG  85  -7.017   7.018  -4.521
  699    HG3  ARG  85           HG3      ARG  85  -6.669   8.191  -3.248
  700    HD2  ARG  85           HD2      ARG  85  -9.396   7.068  -3.885
  701    HD3  ARG  85           HD3      ARG  85  -8.354   6.519  -2.574
  702    HE   ARG  85           HE       ARG  85  -8.552   8.948  -1.794
  703   HH11  ARG  85          HH11      ARG  85 -11.068   7.299  -3.590
  704   HH12  ARG  85          HH12      ARG  85 -12.367   8.102  -2.746
  705   HH21  ARG  85          HH21      ARG  85 -10.266  10.031  -0.701
  706   HH22  ARG  85          HH22      ARG  85 -11.904   9.662  -1.128
  707    H    LYS  86           H        LYS  86  -7.187   8.408  -8.191
  708    HA   LYS  86           HA       LYS  86  -8.201   9.100 -10.091
  709    HB2  LYS  86           HB2      LYS  86  -9.238  11.395  -8.410
  710    HB3  LYS  86           HB3      LYS  86  -9.794  10.982 -10.027
  711    HG2  LYS  86           HG2      LYS  86  -9.971   9.121  -7.669
  712    HG3  LYS  86           HG3      LYS  86 -11.273  10.195  -8.185
  713    HD2  LYS  86           HD2      LYS  86 -11.609   9.032 -10.173
  714    HD3  LYS  86           HD3      LYS  86 -10.016   8.274 -10.113
  715    HE2  LYS  86           HE2      LYS  86 -11.910   6.731  -9.599
  716    HE3  LYS  86           HE3      LYS  86 -10.693   6.834  -8.330
  717    HZ1  LYS  86           HZ1      LYS  86 -12.834   6.893  -7.331
  718    HZ2  LYS  86           HZ2      LYS  86 -13.364   8.141  -8.357
  719    HZ3  LYS  86           HZ3      LYS  86 -12.176   8.445  -7.194
  720    H    MET  87           H        MET  87  -5.689  10.498  -8.694
  721    HA   MET  87           HA       MET  87  -5.353  12.676 -10.612
  722    HB2  MET  87           HB2      MET  87  -3.626  11.788  -8.294
  723    HB3  MET  87           HB3      MET  87  -3.298  13.181  -9.318
  724    HG2  MET  87           HG2      MET  87  -5.674  12.808  -7.507
  725    HG3  MET  87           HG3      MET  87  -4.295  13.870  -7.226
  726    HE1  MET  87           HE1      MET  87  -7.260  16.354  -7.923
  727    HE2  MET  87           HE2      MET  87  -5.998  15.883  -6.784
  728    HE3  MET  87           HE3      MET  87  -7.356  14.800  -7.094
  729    H    GLY  88           H        GLY  88  -4.254   9.489  -9.845
  730    HA2  GLY  88           HA2      GLY  88  -2.815   9.407 -12.394
  731    HA3  GLY  88           HA3      GLY  88  -1.981   8.871 -10.937
  Start of MODEL   29
    1    H1   PHE   1           HT1      PHE   1  15.821 -11.023   3.981
    2    H2   PHE   1           HT2      PHE   1  16.714 -10.434   5.298
    3    H3   PHE   1           HT3      PHE   1  17.269 -10.179   3.717
    4    HA   PHE   1           HA       PHE   1  16.260  -8.203   4.759
    5    HB2  PHE   1           HB2      PHE   1  14.917  -7.583   2.799
    6    HB3  PHE   1           HB3      PHE   1  16.397  -8.404   2.319
    7    HD1  PHE   1           HD2      PHE   1  16.270 -10.801   1.583
    8    HD2  PHE   1           HD1      PHE   1  12.806  -8.404   2.187
    9    HE1  PHE   1           HE2      PHE   1  14.951 -12.375   0.227
   10    HE2  PHE   1           HE1      PHE   1  11.480  -9.973   0.832
   11    HZ   PHE   1           HZ       PHE   1  12.551 -11.960  -0.150
   12    H    LEU   2           H        LEU   2  14.838  -7.490   6.089
   13    HA   LEU   2           HA       LEU   2  12.152  -8.671   6.155
   14    HB2  LEU   2           HB2      LEU   2  13.165  -9.622   8.070
   15    HB3  LEU   2           HB3      LEU   2  14.033  -8.148   8.444
   16    HG   LEU   2           HG       LEU   2  11.878  -7.080   9.072
   17   HD11  LEU   2          HD11      LEU   2  10.755  -9.857   8.743
   18   HD12  LEU   2          HD12      LEU   2  10.374  -8.458   7.738
   19   HD13  LEU   2          HD13      LEU   2   9.915  -8.469   9.441
   20   HD21  LEU   2          HD21      LEU   2  11.628  -8.273  11.190
   21   HD22  LEU   2          HD22      LEU   2  13.325  -8.051  10.765
   22   HD23  LEU   2          HD23      LEU   2  12.557  -9.623  10.539
   23    H    LEU   3           H        LEU   3  10.527  -7.143   6.330
   24    HA   LEU   3           HA       LEU   3  11.406  -4.360   6.513
   25    HB2  LEU   3           HB2      LEU   3   8.897  -5.678   5.536
   26    HB3  LEU   3           HB3      LEU   3   8.854  -4.000   6.040
   27    HG   LEU   3           HG       LEU   3   9.105  -4.107   3.648
   28   HD11  LEU   3          HD11      LEU   3  10.238  -2.289   4.765
   29   HD12  LEU   3          HD12      LEU   3  11.177  -2.822   3.371
   30   HD13  LEU   3          HD13      LEU   3  11.672  -3.291   4.998
   31   HD21  LEU   3          HD21      LEU   3  11.024  -5.144   2.571
   32   HD22  LEU   3          HD22      LEU   3  10.103  -6.340   3.484
   33   HD23  LEU   3          HD23      LEU   3  11.614  -5.707   4.136
   34    HA   PRO   4           HA       PRO   4  10.244  -4.848  10.837
   35    HB2  PRO   4           HB2      PRO   4  11.681  -2.283  11.020
   36    HB3  PRO   4           HB3      PRO   4  11.988  -3.804  11.866
   37    HG2  PRO   4           HG2      PRO   4  13.642  -2.948   9.956
   38    HG3  PRO   4           HG3      PRO   4  13.246  -4.673  10.121
   39    HD2  PRO   4           HD2      PRO   4  12.110  -2.657   8.204
   40    HD3  PRO   4           HD3      PRO   4  12.695  -4.312   7.885
   41    HA   PRO   5           HA       PRO   5   6.686  -2.197  10.994
   42    HB2  PRO   5           HB2      PRO   5   7.247  -2.145  13.914
   43    HB3  PRO   5           HB3      PRO   5   5.767  -2.603  13.063
   44    HG2  PRO   5           HG2      PRO   5   7.326  -4.463  14.158
   45    HG3  PRO   5           HG3      PRO   5   6.548  -4.744  12.587
   46    HD2  PRO   5           HD2      PRO   5   9.384  -4.012  13.196
   47    HD3  PRO   5           HD3      PRO   5   8.745  -5.141  11.982
   48    H    SER   6           H        SER   6   6.623  -0.110  10.583
   49    HA   SER   6           HA       SER   6   6.954   2.130  10.659
   50    HB2  SER   6           HB2      SER   6   8.505   1.642  13.213
   51    HB3  SER   6           HB3      SER   6   7.938   3.203  12.622
   52    HG   SER   6           HG       SER   6   6.637   1.800  14.237
   53    H    THR   7           H        THR   7   9.062  -0.063   9.851
   54    HA   THR   7           HA       THR   7  11.010   1.961   8.994
   55    HB   THR   7           HB       THR   7  11.694  -0.900   9.725
   56    HG1  THR   7           HG1      THR   7  12.398   1.571  10.981
   57   HG21  THR   7          HG21      THR   7  14.023  -0.201   9.337
   58   HG22  THR   7          HG22      THR   7  13.454   1.381   8.803
   59   HG23  THR   7          HG23      THR   7  13.053  -0.061   7.870
   60    H    ALA   8           H        ALA   8   9.658   2.142   7.146
   61    HA   ALA   8           HA       ALA   8   9.544  -0.195   5.396
   62    HB1  ALA   8           HB1      ALA   8   7.950   1.113   4.067
   63    HB2  ALA   8           HB2      ALA   8   8.160   2.478   5.164
   64    HB3  ALA   8           HB3      ALA   8   7.436   0.980   5.749
   65    H    CYS   9           H        CYS   9  11.708  -0.217   4.793
   66    HA   CYS   9           HA       CYS   9  12.488   1.986   3.021
   67    HB2  CYS   9           HB2      CYS   9  13.785   1.386   5.331
   68    HB3  CYS   9           HB3      CYS   9  14.647   0.345   4.207
   69    H    CYS  10           H        CYS  10  11.496   0.886   1.351
   70    HA   CYS  10           HA       CYS  10  11.980  -1.870   0.795
   71    HB2  CYS  10           HB2      CYS  10   9.854  -0.846   0.250
   72    HB3  CYS  10           HB3      CYS  10  10.649   0.317  -0.804
   73    H    THR  11           H        THR  11  13.610  -2.723  -0.295
   74    HA   THR  11           HA       THR  11  15.329  -0.957  -1.870
   75    HB   THR  11           HB       THR  11  16.960  -2.872  -1.718
   76    HG1  THR  11           HG1      THR  11  16.348  -4.325   0.151
   77   HG21  THR  11          HG21      THR  11  17.533  -2.444   0.648
   78   HG22  THR  11          HG22      THR  11  15.963  -1.674   0.871
   79   HG23  THR  11          HG23      THR  11  17.146  -0.961  -0.224
   80    H    GLN  12           H        GLN  12  12.851  -3.146  -2.379
   81    HA   GLN  12           HA       GLN  12  13.608  -3.458  -5.142
   82    HB2  GLN  12           HB2      GLN  12  12.859  -6.002  -4.869
   83    HB3  GLN  12           HB3      GLN  12  14.528  -5.484  -4.749
   84    HG2  GLN  12           HG2      GLN  12  14.048  -7.058  -3.008
   85    HG3  GLN  12           HG3      GLN  12  14.323  -5.474  -2.293
   86   HE21  GLN  12          HE21      GLN  12  12.737  -4.517  -1.163
   87   HE22  GLN  12          HE22      GLN  12  11.204  -5.228  -0.837
   88    H    LEU  13           H        LEU  13  11.970  -3.201  -6.439
   89    HA   LEU  13           HA       LEU  13   9.289  -3.039  -5.270
   90    HB2  LEU  13           HB2      LEU  13  10.339  -2.064  -7.931
   91    HB3  LEU  13           HB3      LEU  13   8.725  -1.787  -7.312
   92    HG   LEU  13           HG       LEU  13  11.218  -0.757  -5.967
   93   HD11  LEU  13          HD11      LEU  13  11.024   0.240  -8.171
   94   HD12  LEU  13          HD12      LEU  13  10.614   1.421  -6.924
   95   HD13  LEU  13          HD13      LEU  13   9.335   0.642  -7.856
   96   HD21  LEU  13          HD21      LEU  13   8.304  -0.074  -5.637
   97   HD22  LEU  13          HD22      LEU  13   9.649   0.709  -4.806
   98   HD23  LEU  13          HD23      LEU  13   9.293  -0.991  -4.500
   99    H    TYR  14           H        TYR  14   7.538  -4.163  -6.105
  100    HA   TYR  14           HA       TYR  14   8.153  -6.577  -7.550
  101    HB2  TYR  14           HB2      TYR  14   6.422  -6.417  -5.721
  102    HB3  TYR  14           HB3      TYR  14   5.422  -5.487  -6.832
  103    HD1  TYR  14           HD1      TYR  14   7.422  -8.637  -7.065
  104    HD2  TYR  14           HD2      TYR  14   3.678  -6.722  -7.692
  105    HE1  TYR  14           HE1      TYR  14   6.505 -10.739  -7.949
  106    HE2  TYR  14           HE2      TYR  14   2.750  -8.818  -8.586
  107    HH   TYR  14           HH       TYR  14   3.364 -10.892  -9.459
  108    H    ARG  15           H        ARG  15   6.889  -3.440  -8.240
  109    HA   ARG  15           HA       ARG  15   6.624  -2.278 -10.162
  110    HB2  ARG  15           HB2      ARG  15   7.665  -4.761 -11.537
  111    HB3  ARG  15           HB3      ARG  15   7.409  -3.206 -12.310
  112    HG2  ARG  15           HG2      ARG  15   9.374  -3.790 -10.101
  113    HG3  ARG  15           HG3      ARG  15   9.755  -3.548 -11.805
  114    HD2  ARG  15           HD2      ARG  15   8.585  -1.510  -9.912
  115    HD3  ARG  15           HD3      ARG  15  10.230  -1.534 -10.542
  116    HE   ARG  15           HE       ARG  15   7.820  -1.072 -12.196
  117   HH11  ARG  15          HH11      ARG  15  11.218  -0.521 -11.484
  118   HH12  ARG  15          HH12      ARG  15  11.417   0.629 -12.776
  119   HH21  ARG  15          HH21      ARG  15   8.099   0.472 -13.871
  120   HH22  ARG  15          HH22      ARG  15   9.673   1.182 -14.122
  121    H    LYS  16           H        LYS  16   5.575  -5.638 -10.597
  122    HA   LYS  16           HA       LYS  16   3.492  -5.083 -12.426
  123    HB2  LYS  16           HB2      LYS  16   4.496  -7.294 -12.202
  124    HB3  LYS  16           HB3      LYS  16   3.900  -7.421 -10.554
  125    HG2  LYS  16           HG2      LYS  16   1.602  -7.392 -11.376
  126    HG3  LYS  16           HG3      LYS  16   2.199  -7.258 -13.032
  127    HD2  LYS  16           HD2      LYS  16   3.361  -9.405 -12.763
  128    HD3  LYS  16           HD3      LYS  16   2.698  -9.548 -11.132
  129    HE2  LYS  16           HE2      LYS  16   1.367 -10.856 -12.674
  130    HE3  LYS  16           HE3      LYS  16   0.425  -9.489 -12.082
  131    HZ1  LYS  16           HZ1      LYS  16   0.176  -9.831 -14.479
  132    HZ2  LYS  16           HZ2      LYS  16   1.838  -9.581 -14.694
  133    HZ3  LYS  16           HZ3      LYS  16   0.855  -8.317 -14.132
  134    HA   PRO  17           HA       PRO  17   0.143  -3.632  -9.778
  135    HB2  PRO  17           HB2      PRO  17  -1.488  -5.128 -11.767
  136    HB3  PRO  17           HB3      PRO  17  -1.643  -3.455 -11.215
  137    HG2  PRO  17           HG2      PRO  17  -0.645  -4.002 -13.620
  138    HG3  PRO  17           HG3      PRO  17   0.029  -2.693 -12.629
  139    HD2  PRO  17           HD2      PRO  17   1.104  -5.435 -13.137
  140    HD3  PRO  17           HD3      PRO  17   1.971  -3.893 -12.990
  141    H    LEU  18           H        LEU  18  -1.257  -4.558  -8.264
  142    HA   LEU  18           HA       LEU  18  -0.648  -7.364  -7.734
  143    HB2  LEU  18           HB2      LEU  18  -1.941  -5.291  -5.965
  144    HB3  LEU  18           HB3      LEU  18  -1.463  -6.906  -5.474
  145    HG   LEU  18           HG       LEU  18   0.364  -4.651  -6.298
  146   HD11  LEU  18          HD11      LEU  18  -0.502  -4.436  -4.039
  147   HD12  LEU  18          HD12      LEU  18   1.207  -4.866  -4.000
  148   HD13  LEU  18          HD13      LEU  18  -0.018  -6.090  -3.671
  149   HD21  LEU  18          HD21      LEU  18   2.206  -6.176  -5.837
  150   HD22  LEU  18          HD22      LEU  18   1.193  -6.787  -7.147
  151   HD23  LEU  18          HD23      LEU  18   1.061  -7.483  -5.531
  152    H    SER  19           H        SER  19  -2.279  -8.822  -7.016
  153    HA   SER  19           HA       SER  19  -4.719  -8.596  -8.520
  154    HB2  SER  19           HB2      SER  19  -3.909 -10.776  -6.585
  155    HB3  SER  19           HB3      SER  19  -5.111 -10.882  -7.872
  156    HG   SER  19           HG       SER  19  -3.362 -10.505  -9.362
  157    H    ASP  20           H        ASP  20  -6.761  -8.330  -7.742
  158    HA   ASP  20           HA       ASP  20  -7.095  -6.762  -5.432
  159    HB2  ASP  20           HB2      ASP  20  -8.593  -6.820  -7.468
  160    HB3  ASP  20           HB3      ASP  20  -9.237  -8.338  -6.854
  161    H    LYS  21           H        LYS  21  -7.382 -10.193  -6.000
  162    HA   LYS  21           HA       LYS  21  -8.804 -10.979  -3.732
  163    HB2  LYS  21           HB2      LYS  21  -6.554 -12.500  -5.052
  164    HB3  LYS  21           HB3      LYS  21  -7.836 -13.179  -4.062
  165    HG2  LYS  21           HG2      LYS  21  -9.478 -12.492  -5.762
  166    HG3  LYS  21           HG3      LYS  21  -8.154 -11.890  -6.764
  167    HD2  LYS  21           HD2      LYS  21  -7.167 -14.163  -6.728
  168    HD3  LYS  21           HD3      LYS  21  -8.592 -14.731  -5.858
  169    HE2  LYS  21           HE2      LYS  21  -9.985 -13.946  -7.765
  170    HE3  LYS  21           HE3      LYS  21  -8.501 -13.565  -8.638
  171    HZ1  LYS  21           HZ1      LYS  21  -9.239 -15.710  -9.323
  172    HZ2  LYS  21           HZ2      LYS  21  -9.401 -16.241  -7.725
  173    HZ3  LYS  21           HZ3      LYS  21  -7.861 -15.936  -8.359
  174    H    LEU  22           H        LEU  22  -5.286 -10.647  -4.188
  175    HA   LEU  22           HA       LEU  22  -4.751 -11.262  -1.452
  176    HB2  LEU  22           HB2      LEU  22  -2.437 -10.679  -1.929
  177    HB3  LEU  22           HB3      LEU  22  -3.083 -11.768  -3.135
  178    HG   LEU  22           HG       LEU  22  -3.485  -9.545  -4.486
  179   HD11  LEU  22          HD11      LEU  22  -2.817  -8.023  -2.707
  180   HD12  LEU  22          HD12      LEU  22  -1.731  -7.893  -4.091
  181   HD13  LEU  22          HD13      LEU  22  -1.222  -8.773  -2.649
  182   HD21  LEU  22          HD21      LEU  22  -1.258  -9.828  -5.493
  183   HD22  LEU  22          HD22      LEU  22  -2.077 -11.365  -5.221
  184   HD23  LEU  22          HD23      LEU  22  -0.791 -10.849  -4.132
  185    H    LEU  23           H        LEU  23  -5.430  -8.386  -3.253
  186    HA   LEU  23           HA       LEU  23  -4.350  -6.478  -1.510
  187    HB2  LEU  23           HB2      LEU  23  -6.618  -6.347  -3.479
  188    HB3  LEU  23           HB3      LEU  23  -6.125  -4.955  -2.533
  189    HG   LEU  23           HG       LEU  23  -4.370  -6.459  -4.477
  190   HD11  LEU  23          HD11      LEU  23  -5.673  -3.748  -4.680
  191   HD12  LEU  23          HD12      LEU  23  -6.107  -5.185  -5.607
  192   HD13  LEU  23          HD13      LEU  23  -4.529  -4.429  -5.838
  193   HD21  LEU  23          HD21      LEU  23  -3.097  -5.513  -2.628
  194   HD22  LEU  23          HD22      LEU  23  -3.858  -3.944  -2.895
  195   HD23  LEU  23          HD23      LEU  23  -2.790  -4.627  -4.123
  196    H    ARG  24           H        ARG  24  -7.625  -7.897  -1.602
  197    HA   ARG  24           HA       ARG  24  -8.769  -6.338   0.408
  198    HB2  ARG  24           HB2      ARG  24 -10.469  -7.996   0.576
  199    HB3  ARG  24           HB3      ARG  24  -9.954  -7.953  -1.105
  200    HG2  ARG  24           HG2      ARG  24  -8.554  -9.929  -0.711
  201    HG3  ARG  24           HG3      ARG  24  -9.118  -9.979   0.958
  202    HD2  ARG  24           HD2      ARG  24 -11.439 -10.213   0.096
  203    HD3  ARG  24           HD3      ARG  24 -10.772 -10.335  -1.534
  204    HE   ARG  24           HE       ARG  24  -9.975 -12.225   0.578
  205   HH11  ARG  24          HH11      ARG  24 -11.333 -11.585  -2.589
  206   HH12  ARG  24          HH12      ARG  24 -11.363 -13.267  -3.049
  207   HH21  ARG  24          HH21      ARG  24  -9.995 -14.424  -0.030
  208   HH22  ARG  24          HH22      ARG  24 -10.571 -14.875  -1.609
  209    H    LYS  25           H        LYS  25  -6.180  -8.415   0.787
  210    HA   LYS  25           HA       LYS  25  -6.820  -9.034   3.583
  211    HB2  LYS  25           HB2      LYS  25  -4.775 -10.251   1.744
  212    HB3  LYS  25           HB3      LYS  25  -5.002 -10.697   3.429
  213    HG2  LYS  25           HG2      LYS  25  -7.315 -11.375   2.901
  214    HG3  LYS  25           HG3      LYS  25  -6.998 -11.018   1.201
  215    HD2  LYS  25           HD2      LYS  25  -5.573 -13.050   2.908
  216    HD3  LYS  25           HD3      LYS  25  -6.737 -13.387   1.626
  217    HE2  LYS  25           HE2      LYS  25  -5.221 -12.319   0.014
  218    HE3  LYS  25           HE3      LYS  25  -4.049 -12.066   1.304
  219    HZ1  LYS  25           HZ1      LYS  25  -4.995 -14.652   0.205
  220    HZ2  LYS  25           HZ2      LYS  25  -4.072 -14.528   1.618
  221    HZ3  LYS  25           HZ3      LYS  25  -3.426 -14.013   0.135
  222    H    VAL  26           H        VAL  26  -5.382  -6.637   1.992
  223    HA   VAL  26           HA       VAL  26  -2.949  -6.350   3.487
  224    HB   VAL  26           HB       VAL  26  -4.554  -4.275   1.966
  225   HG11  VAL  26          HG11      VAL  26  -2.454  -2.968   1.970
  226   HG12  VAL  26          HG12      VAL  26  -1.750  -4.155   3.069
  227   HG13  VAL  26          HG13      VAL  26  -3.129  -3.186   3.585
  228   HG21  VAL  26          HG21      VAL  26  -3.727  -6.110   0.561
  229   HG22  VAL  26          HG22      VAL  26  -2.090  -5.808   1.143
  230   HG23  VAL  26          HG23      VAL  26  -2.927  -4.583   0.188
  231    H    ILE  27           H        ILE  27  -2.618  -5.220   5.393
  232    HA   ILE  27           HA       ILE  27  -5.070  -4.601   6.867
  233    HB   ILE  27           HB       ILE  27  -3.611  -4.559   8.893
  234   HG12  ILE  27          HG12      ILE  27  -1.511  -5.661   7.007
  235   HG13  ILE  27          HG13      ILE  27  -1.476  -4.063   7.745
  236   HG21  ILE  27          HG21      ILE  27  -4.906  -6.525   8.304
  237   HG22  ILE  27          HG22      ILE  27  -3.364  -6.997   9.016
  238   HG23  ILE  27          HG23      ILE  27  -3.598  -7.103   7.272
  239   HD11  ILE  27          HD11      ILE  27  -0.009  -5.597   8.916
  240   HD12  ILE  27          HD12      ILE  27  -1.363  -6.687   9.208
  241   HD13  ILE  27          HD13      ILE  27  -1.340  -5.092   9.957
  242    H    GLN  28           H        GLN  28  -1.977  -3.146   5.948
  243    HA   GLN  28           HA       GLN  28  -3.145  -0.503   6.305
  244    HB2  GLN  28           HB2      GLN  28  -0.671  -1.441   7.763
  245    HB3  GLN  28           HB3      GLN  28  -1.018   0.258   7.487
  246    HG2  GLN  28           HG2      GLN  28  -2.814  -1.643   8.975
  247    HG3  GLN  28           HG3      GLN  28  -1.670  -0.534   9.730
  248   HE21  GLN  28          HE21      GLN  28  -4.592  -0.717   9.936
  249   HE22  GLN  28          HE22      GLN  28  -5.196   0.839   9.489
  250    H    VAL  29           H        VAL  29  -2.061   1.124   5.127
  251    HA   VAL  29           HA       VAL  29  -0.206   0.078   3.094
  252    HB   VAL  29           HB       VAL  29  -1.906   2.565   2.921
  253   HG11  VAL  29          HG11      VAL  29   0.072   2.711   1.548
  254   HG12  VAL  29          HG12      VAL  29  -1.342   2.468   0.521
  255   HG13  VAL  29          HG13      VAL  29  -0.254   1.120   0.855
  256   HG21  VAL  29          HG21      VAL  29  -3.311   1.304   1.355
  257   HG22  VAL  29          HG22      VAL  29  -3.327   0.594   2.969
  258   HG23  VAL  29          HG23      VAL  29  -2.368  -0.147   1.687
  259    H    GLU  30           H        GLU  30   1.729   1.055   2.792
  260    HA   GLU  30           HA       GLU  30   2.393   3.324   4.533
  261    HB2  GLU  30           HB2      GLU  30   4.685   1.857   4.590
  262    HB3  GLU  30           HB3      GLU  30   3.457   1.835   5.850
  263    HG2  GLU  30           HG2      GLU  30   2.433  -0.112   4.873
  264    HG3  GLU  30           HG3      GLU  30   3.560  -0.067   3.519
  265    H    LEU  31           H        LEU  31   4.652   4.147   3.957
  266    HA   LEU  31           HA       LEU  31   5.351   3.754   1.172
  267    HB2  LEU  31           HB2      LEU  31   5.251   6.046   0.543
  268    HB3  LEU  31           HB3      LEU  31   3.685   5.610   1.190
  269    HG   LEU  31           HG       LEU  31   5.757   7.052   2.838
  270   HD11  LEU  31          HD11      LEU  31   3.560   8.247   1.154
  271   HD12  LEU  31          HD12      LEU  31   5.291   8.379   0.844
  272   HD13  LEU  31          HD13      LEU  31   4.594   9.125   2.282
  273   HD21  LEU  31          HD21      LEU  31   3.776   7.759   4.119
  274   HD22  LEU  31          HD22      LEU  31   3.975   6.009   4.112
  275   HD23  LEU  31          HD23      LEU  31   2.763   6.760   3.075
  276    H    GLN  32           H        GLN  32   7.468   3.947   0.812
  277    HA   GLN  32           HA       GLN  32   9.232   4.600   3.005
  278    HB2  GLN  32           HB2      GLN  32   9.854   2.805   1.472
  279    HB3  GLN  32           HB3      GLN  32   9.798   3.915   0.109
  280    HG2  GLN  32           HG2      GLN  32  11.674   5.148   0.982
  281    HG3  GLN  32           HG3      GLN  32  11.688   4.157   2.440
  282   HE21  GLN  32          HE21      GLN  32  11.074   2.842  -0.718
  283   HE22  GLN  32          HE22      GLN  32  12.553   1.952  -0.848
  284    H    GLU  33           H        GLU  33   9.638   6.614   3.501
  285    HA   GLU  33           HA       GLU  33   8.933   8.810   1.893
  286    HB2  GLU  33           HB2      GLU  33  10.837   8.753   4.240
  287    HB3  GLU  33           HB3      GLU  33  10.008  10.167   3.602
  288    HG2  GLU  33           HG2      GLU  33   7.862   9.223   4.242
  289    HG3  GLU  33           HG3      GLU  33   8.666   7.771   4.837
  290    H    ALA  34           H        ALA  34  10.026   9.947   0.434
  291    HA   ALA  34           HA       ALA  34  12.332   8.787  -0.750
  292    HB1  ALA  34           HB1      ALA  34  11.039  11.447  -1.334
  293    HB2  ALA  34           HB2      ALA  34  10.575   9.904  -2.046
  294    HB3  ALA  34           HB3      ALA  34  12.169  10.579  -2.373
  295    H    ASP  35           H        ASP  35  11.919  11.099   1.710
  296    HA   ASP  35           HA       ASP  35  14.788  11.672   1.665
  297    HB2  ASP  35           HB2      ASP  35  13.627  13.538   0.512
  298    HB3  ASP  35           HB3      ASP  35  12.664  13.810   1.959
  299    H    GLY  36           H        GLY  36  11.891  11.066   3.365
  300    HA2  GLY  36           HA2      GLY  36  12.622  12.131   5.900
  301    HA3  GLY  36           HA3      GLY  36  11.336  10.977   5.591
  302    H    ASP  37           H        ASP  37  11.712   8.788   5.871
  303    HA   ASP  37           HA       ASP  37  13.792   8.178   7.744
  304    HB2  ASP  37           HB2      ASP  37  11.494   7.209   7.856
  305    HB3  ASP  37           HB3      ASP  37  11.834   6.304   6.381
  306    H    CYS  38           H        CYS  38  13.330   7.845   4.357
  307    HA   CYS  38           HA       CYS  38  15.924   6.503   4.131
  308    HB2  CYS  38           HB2      CYS  38  13.473   5.844   2.484
  309    HB3  CYS  38           HB3      CYS  38  15.060   5.110   2.322
  310    H    HIS  39           H        HIS  39  16.331   6.527   1.475
  311    HA   HIS  39           HA       HIS  39  15.955   9.353   0.739
  312    HB2  HIS  39           HB2      HIS  39  18.172   9.348  -0.297
  313    HB3  HIS  39           HB3      HIS  39  18.272   8.948   1.411
  314    HD1  HIS  39           HD1      HIS  39  19.719   8.001  -1.651
  315    HD2  HIS  39           HD2      HIS  39  18.317   5.882   1.646
  316    HE1  HIS  39           HE1      HIS  39  20.825   5.741  -1.770
  317    HE2  HIS  39           HE2      HIS  39  20.056   4.522   0.302
  318    H    LEU  40           H        LEU  40  14.358   7.030   0.020
  319    HA   LEU  40           HA       LEU  40  14.122   7.685  -2.766
  320    HB2  LEU  40           HB2      LEU  40  14.187   5.437  -3.633
  321    HB3  LEU  40           HB3      LEU  40  15.722   5.821  -2.881
  322    HG   LEU  40           HG       LEU  40  13.745   4.419  -1.178
  323   HD11  LEU  40          HD11      LEU  40  13.426   3.280  -3.292
  324   HD12  LEU  40          HD12      LEU  40  14.316   2.248  -2.170
  325   HD13  LEU  40          HD13      LEU  40  15.169   3.081  -3.470
  326   HD21  LEU  40          HD21      LEU  40  15.758   3.256  -0.431
  327   HD22  LEU  40          HD22      LEU  40  15.985   5.004  -0.375
  328   HD23  LEU  40          HD23      LEU  40  16.701   4.063  -1.684
  329    H    GLN  41           H        GLN  41  12.058   6.883  -3.645
  330    HA   GLN  41           HA       GLN  41  10.125   6.637  -1.447
  331    HB2  GLN  41           HB2      GLN  41   9.877   8.618  -2.891
  332    HB3  GLN  41           HB3      GLN  41   9.679   7.569  -4.288
  333    HG2  GLN  41           HG2      GLN  41   7.695   6.564  -3.092
  334    HG3  GLN  41           HG3      GLN  41   7.837   7.892  -1.941
  335   HE21  GLN  41          HE21      GLN  41   8.703   9.792  -4.003
  336   HE22  GLN  41          HE22      GLN  41   7.277  10.187  -4.890
  337    H    ALA  42           H        ALA  42   8.597   5.064  -1.407
  338    HA   ALA  42           HA       ALA  42   7.973   3.461  -3.703
  339    HB1  ALA  42           HB1      ALA  42   8.610   1.307  -2.792
  340    HB2  ALA  42           HB2      ALA  42   9.267   2.082  -1.351
  341    HB3  ALA  42           HB3      ALA  42  10.033   2.341  -2.921
  342    H    PHE  43           H        PHE  43   5.840   3.004  -3.551
  343    HA   PHE  43           HA       PHE  43   4.529   3.297  -0.979
  344    HB2  PHE  43           HB2      PHE  43   3.553   3.021  -3.798
  345    HB3  PHE  43           HB3      PHE  43   2.462   2.693  -2.456
  346    HD1  PHE  43           HD1      PHE  43   2.378   4.553  -0.612
  347    HD2  PHE  43           HD2      PHE  43   3.690   5.175  -4.611
  348    HE1  PHE  43           HE1      PHE  43   1.897   6.954  -0.393
  349    HE2  PHE  43           HE2      PHE  43   3.216   7.578  -4.398
  350    HZ   PHE  43           HZ       PHE  43   2.317   8.470  -2.287
  351    H    VAL  44           H        VAL  44   4.149   1.662   0.336
  352    HA   VAL  44           HA       VAL  44   4.664  -1.024  -0.739
  353    HB   VAL  44           HB       VAL  44   5.301  -0.036   2.044
  354   HG11  VAL  44          HG11      VAL  44   6.605  -2.092   2.228
  355   HG12  VAL  44          HG12      VAL  44   6.106  -2.563   0.603
  356   HG13  VAL  44          HG13      VAL  44   4.910  -2.448   1.894
  357   HG21  VAL  44          HG21      VAL  44   6.653   1.121   0.363
  358   HG22  VAL  44          HG22      VAL  44   7.137  -0.432  -0.322
  359   HG23  VAL  44          HG23      VAL  44   7.638   0.005   1.314
  360    H    LEU  45           H        LEU  45   3.359  -2.664  -0.161
  361    HA   LEU  45           HA       LEU  45   0.903  -1.893   1.256
  362    HB2  LEU  45           HB2      LEU  45   1.334  -3.973  -0.897
  363    HB3  LEU  45           HB3      LEU  45  -0.182  -3.699  -0.063
  364    HG   LEU  45           HG       LEU  45  -0.355  -2.637  -2.173
  365   HD11  LEU  45          HD11      LEU  45  -1.320  -1.352  -0.386
  366   HD12  LEU  45          HD12      LEU  45  -0.615  -0.261  -1.583
  367   HD13  LEU  45          HD13      LEU  45   0.231  -0.578  -0.067
  368   HD21  LEU  45          HD21      LEU  45   2.260  -1.296  -1.589
  369   HD22  LEU  45          HD22      LEU  45   1.203  -0.920  -2.948
  370   HD23  LEU  45          HD23      LEU  45   1.944  -2.518  -2.821
  371    H    HIS  46           H        HIS  46   0.701  -2.756   3.200
  372    HA   HIS  46           HA       HIS  46   2.410  -5.072   3.825
  373    HB2  HIS  46           HB2      HIS  46   2.391  -2.627   5.014
  374    HB3  HIS  46           HB3      HIS  46   1.270  -3.503   6.053
  375    HD1  HIS  46           HD1      HIS  46   4.795  -2.870   5.553
  376    HD2  HIS  46           HD2      HIS  46   2.507  -5.976   7.132
  377    HE1  HIS  46           HE1      HIS  46   6.379  -4.253   6.934
  378    HE2  HIS  46           HE2      HIS  46   5.023  -6.231   7.703
  379    H    LEU  47           H        LEU  47   1.356  -6.918   3.888
  380    HA   LEU  47           HA       LEU  47  -1.442  -6.961   4.775
  381    HB2  LEU  47           HB2      LEU  47   0.192  -9.105   3.403
  382    HB3  LEU  47           HB3      LEU  47  -1.493  -9.253   3.851
  383    HG   LEU  47           HG       LEU  47  -1.876  -7.234   2.285
  384   HD11  LEU  47          HD11      LEU  47  -0.278  -7.046   0.450
  385   HD12  LEU  47          HD12      LEU  47   0.797  -8.185   1.262
  386   HD13  LEU  47          HD13      LEU  47   0.463  -6.614   1.991
  387   HD21  LEU  47          HD21      LEU  47  -2.012  -8.744   0.337
  388   HD22  LEU  47          HD22      LEU  47  -2.693  -9.448   1.803
  389   HD23  LEU  47          HD23      LEU  47  -1.099  -9.951   1.241
  390    H    ALA  48           H        ALA  48  -2.052  -8.879   6.140
  391    HA   ALA  48           HA       ALA  48  -0.448  -8.824   8.493
  392    HB1  ALA  48           HB1      ALA  48  -2.885  -8.973   8.579
  393    HB2  ALA  48           HB2      ALA  48  -2.126 -10.312   9.440
  394    HB3  ALA  48           HB3      ALA  48  -2.812 -10.571   7.836
  395    H    GLN  49           H        GLN  49  -0.485 -10.836   5.727
  396    HA   GLN  49           HA       GLN  49   1.053 -12.895   7.159
  397    HB2  GLN  49           HB2      GLN  49   0.074 -13.765   4.573
  398    HB3  GLN  49           HB3      GLN  49  -0.114 -14.515   6.147
  399    HG2  GLN  49           HG2      GLN  49  -2.286 -14.126   5.312
  400    HG3  GLN  49           HG3      GLN  49  -2.011 -12.924   6.572
  401   HE21  GLN  49          HE21      GLN  49  -3.578 -11.542   5.742
  402   HE22  GLN  49          HE22      GLN  49  -3.334 -10.643   4.284
  403    H    ARG  50           H        ARG  50   1.442 -10.352   5.080
  404    HA   ARG  50           HA       ARG  50   3.965 -11.210   4.081
  405    HB2  ARG  50           HB2      ARG  50   3.374 -11.295   1.684
  406    HB3  ARG  50           HB3      ARG  50   2.589 -12.573   2.601
  407    HG2  ARG  50           HG2      ARG  50   0.548 -11.137   2.698
  408    HG3  ARG  50           HG3      ARG  50   1.350 -10.032   1.583
  409    HD2  ARG  50           HD2      ARG  50   0.767 -12.940   1.057
  410    HD3  ARG  50           HD3      ARG  50  -0.178 -11.586   0.445
  411    HE   ARG  50           HE       ARG  50   2.585 -11.382  -0.277
  412   HH11  ARG  50          HH11      ARG  50  -0.438 -12.952  -1.110
  413   HH12  ARG  50          HH12      ARG  50  -0.001 -13.194  -2.779
  414   HH21  ARG  50          HH21      ARG  50   3.164 -11.704  -2.472
  415   HH22  ARG  50          HH22      ARG  50   2.034 -12.461  -3.560
  416    H    SER  51           H        SER  51   4.727  -9.613   2.289
  417    HA   SER  51           HA       SER  51   3.371  -7.031   2.425
  418    HB2  SER  51           HB2      SER  51   6.295  -7.364   3.157
  419    HB3  SER  51           HB3      SER  51   5.424  -5.836   3.038
  420    HG   SER  51           HG       SER  51   5.379  -7.770   5.032
  421    H    ILE  52           H        ILE  52   3.266  -6.208   0.465
  422    HA   ILE  52           HA       ILE  52   5.289  -7.040  -1.513
  423    HB   ILE  52           HB       ILE  52   2.459  -6.133  -2.090
  424   HG12  ILE  52          HG12      ILE  52   3.623  -8.929  -2.176
  425   HG13  ILE  52          HG13      ILE  52   2.530  -8.328  -0.933
  426   HG21  ILE  52          HG21      ILE  52   2.925  -6.922  -4.352
  427   HG22  ILE  52          HG22      ILE  52   4.565  -7.357  -3.869
  428   HG23  ILE  52          HG23      ILE  52   4.066  -5.664  -3.873
  429   HD11  ILE  52          HD11      ILE  52   0.793  -8.013  -2.618
  430   HD12  ILE  52          HD12      ILE  52   1.351  -9.685  -2.556
  431   HD13  ILE  52          HD13      ILE  52   1.888  -8.622  -3.859
  432    H    CYS  53           H        CYS  53   6.392  -5.466  -2.574
  433    HA   CYS  53           HA       CYS  53   5.809  -2.714  -1.750
  434    HB2  CYS  53           HB2      CYS  53   8.033  -3.618  -1.168
  435    HB3  CYS  53           HB3      CYS  53   8.356  -3.897  -2.876
  436    H    ILE  54           H        ILE  54   4.889  -1.426  -3.188
  437    HA   ILE  54           HA       ILE  54   4.990  -2.185  -6.008
  438    HB   ILE  54           HB       ILE  54   2.978  -1.079  -4.262
  439   HG12  ILE  54          HG12      ILE  54   2.860  -2.156  -7.082
  440   HG13  ILE  54          HG13      ILE  54   2.769  -3.122  -5.612
  441   HG21  ILE  54          HG21      ILE  54   3.329   0.354  -6.885
  442   HG22  ILE  54          HG22      ILE  54   3.533   1.052  -5.277
  443   HG23  ILE  54          HG23      ILE  54   1.944   0.495  -5.802
  444   HD11  ILE  54          HD11      ILE  54   0.575  -2.770  -6.586
  445   HD12  ILE  54          HD12      ILE  54   0.791  -1.025  -6.466
  446   HD13  ILE  54          HD13      ILE  54   0.695  -2.004  -5.003
  447    H    HIS  55           H        HIS  55   5.621  -0.851  -7.607
  448    HA   HIS  55           HA       HIS  55   7.479   1.222  -7.212
  449    HB2  HIS  55           HB2      HIS  55   7.402  -0.078  -9.270
  450    HB3  HIS  55           HB3      HIS  55   5.760   0.461  -9.593
  451    HD1  HIS  55           HD1      HIS  55   5.526   2.445 -11.076
  452    HD2  HIS  55           HD2      HIS  55   9.372   2.089  -9.532
  453    HE1  HIS  55           HE1      HIS  55   6.905   4.147 -12.300
  454    HE2  HIS  55           HE2      HIS  55   9.194   4.016 -11.258
  455    HA   PRO  56           HA       PRO  56   4.904   4.445  -5.616
  456    HB2  PRO  56           HB2      PRO  56   6.695   6.119  -7.336
  457    HB3  PRO  56           HB3      PRO  56   6.185   6.375  -5.662
  458    HG2  PRO  56           HG2      PRO  56   8.594   5.384  -6.206
  459    HG3  PRO  56           HG3      PRO  56   7.650   4.788  -4.830
  460    HD2  PRO  56           HD2      PRO  56   8.236   3.478  -7.425
  461    HD3  PRO  56           HD3      PRO  56   7.902   2.752  -5.841
  462    H    GLN  57           H        GLN  57   5.840   5.232  -8.990
  463    HA   GLN  57           HA       GLN  57   3.153   6.159  -9.525
  464    HB2  GLN  57           HB2      GLN  57   5.658   5.961 -11.180
  465    HB3  GLN  57           HB3      GLN  57   4.109   6.291 -11.938
  466    HG2  GLN  57           HG2      GLN  57   5.293   8.348 -11.565
  467    HG3  GLN  57           HG3      GLN  57   3.864   8.294 -10.538
  468   HE21  GLN  57          HE21      GLN  57   4.099   8.227  -8.335
  469   HE22  GLN  57          HE22      GLN  57   5.612   8.491  -7.544
  470    H    ASN  58           H        ASN  58   2.133   4.124  -8.968
  471    HA   ASN  58           HA       ASN  58   1.955   2.388 -11.332
  472    HB2  ASN  58           HB2      ASN  58   3.344   1.363  -9.485
  473    HB3  ASN  58           HB3      ASN  58   1.901   1.368  -8.491
  474   HD21  ASN  58          HD21      ASN  58   2.035  -0.879  -8.320
  475   HD22  ASN  58          HD22      ASN  58   1.571  -1.911  -9.621
  476    HA   PRO  59           HA       PRO  59  -2.373   3.444 -10.906
  477    HB2  PRO  59           HB2      PRO  59  -3.234   1.258 -12.411
  478    HB3  PRO  59           HB3      PRO  59  -2.808   2.846 -13.056
  479    HG2  PRO  59           HG2      PRO  59  -1.172   0.354 -12.908
  480    HG3  PRO  59           HG3      PRO  59  -1.252   1.573 -14.195
  481    HD2  PRO  59           HD2      PRO  59   0.809   1.502 -12.497
  482    HD3  PRO  59           HD3      PRO  59   0.135   3.051 -13.050
  483    H    SER  60           H        SER  60  -1.017   0.249 -10.278
  484    HA   SER  60           HA       SER  60  -3.272  -0.912  -9.070
  485    HB2  SER  60           HB2      SER  60  -1.176  -2.129  -9.788
  486    HB3  SER  60           HB3      SER  60  -0.397  -1.493  -8.342
  487    HG   SER  60           HG       SER  60  -2.832  -2.733  -7.925
  488    H    LEU  61           H        LEU  61  -0.752   1.196  -7.805
  489    HA   LEU  61           HA       LEU  61  -1.464   0.872  -5.059
  490    HB2  LEU  61           HB2      LEU  61   0.728   1.791  -6.148
  491    HB3  LEU  61           HB3      LEU  61  -0.126   3.318  -6.183
  492    HG   LEU  61           HG       LEU  61   1.391   3.098  -4.243
  493   HD11  LEU  61          HD11      LEU  61  -0.505   4.582  -4.045
  494   HD12  LEU  61          HD12      LEU  61  -0.195   3.774  -2.506
  495   HD13  LEU  61          HD13      LEU  61  -1.526   3.239  -3.529
  496   HD21  LEU  61          HD21      LEU  61   0.821   1.584  -2.416
  497   HD22  LEU  61          HD22      LEU  61   1.200   0.703  -3.898
  498   HD23  LEU  61          HD23      LEU  61  -0.479   0.896  -3.394
  499    H    SER  62           H        SER  62  -2.112   3.328  -7.537
  500    HA   SER  62           HA       SER  62  -3.703   5.045  -6.008
  501    HB2  SER  62           HB2      SER  62  -4.095   4.475  -8.950
  502    HB3  SER  62           HB3      SER  62  -4.420   5.980  -8.090
  503    HG   SER  62           HG       SER  62  -2.139   6.105  -7.691
  504    H    GLN  63           H        GLN  63  -4.685   2.346  -8.122
  505    HA   GLN  63           HA       GLN  63  -7.448   2.613  -7.605
  506    HB2  GLN  63           HB2      GLN  63  -7.744   0.543  -8.741
  507    HB3  GLN  63           HB3      GLN  63  -6.426   1.375  -9.552
  508    HG2  GLN  63           HG2      GLN  63  -4.829   0.002  -8.256
  509    HG3  GLN  63           HG3      GLN  63  -6.191  -0.888  -7.584
  510   HE21  GLN  63          HE21      GLN  63  -7.673  -0.782 -10.130
  511   HE22  GLN  63          HE22      GLN  63  -6.906  -1.937 -11.162
  512    H    TRP  64           H        TRP  64  -4.862   1.006  -5.884
  513    HA   TRP  64           HA       TRP  64  -6.543  -0.660  -4.331
  514    HB2  TRP  64           HB2      TRP  64  -4.190  -1.220  -4.493
  515    HB3  TRP  64           HB3      TRP  64  -3.735   0.320  -3.769
  516    HD1  TRP  64           HD1      TRP  64  -2.697  -0.373  -1.489
  517    HE1  TRP  64           HE1      TRP  64  -3.525  -1.712   0.541
  518    HE3  TRP  64           HE3      TRP  64  -7.064  -2.231  -3.427
  519    HZ2  TRP  64           HZ2      TRP  64  -5.723  -3.323   1.233
  520    HZ3  TRP  64           HZ3      TRP  64  -8.457  -3.649  -2.012
  521    HH2  TRP  64           HH2      TRP  64  -7.807  -4.190   0.269
  522    H    PHE  65           H        PHE  65  -5.386   2.646  -3.884
  523    HA   PHE  65           HA       PHE  65  -6.396   2.934  -1.268
  524    HB2  PHE  65           HB2      PHE  65  -5.595   4.789  -3.439
  525    HB3  PHE  65           HB3      PHE  65  -6.656   5.441  -2.192
  526    HD1  PHE  65           HD2      PHE  65  -3.517   3.392  -2.471
  527    HD2  PHE  65           HD1      PHE  65  -5.707   6.364  -0.340
  528    HE1  PHE  65           HE2      PHE  65  -1.603   3.733  -0.967
  529    HE2  PHE  65           HE1      PHE  65  -3.793   6.698   1.165
  530    HZ   PHE  65           HZ       PHE  65  -1.739   5.385   0.851
  531    H    GLU  66           H        GLU  66  -7.902   3.138  -4.416
  532    HA   GLU  66           HA       GLU  66 -10.463   3.969  -3.469
  533    HB2  GLU  66           HB2      GLU  66  -9.728   2.467  -5.991
  534    HB3  GLU  66           HB3      GLU  66 -11.246   3.303  -5.694
  535    HG2  GLU  66           HG2      GLU  66 -10.166   5.428  -5.701
  536    HG3  GLU  66           HG3      GLU  66  -8.572   4.679  -5.723
  537    H    HIS  67           H        HIS  67  -9.054   0.838  -4.360
  538    HA   HIS  67           HA       HIS  67 -11.383  -0.689  -3.847
  539    HB2  HIS  67           HB2      HIS  67  -8.478  -1.430  -4.134
  540    HB3  HIS  67           HB3      HIS  67  -9.705  -2.635  -3.767
  541    HD1  HIS  67           HD1      HIS  67  -9.570  -3.904  -5.957
  542    HD2  HIS  67           HD2      HIS  67 -10.280   0.175  -6.454
  543    HE1  HIS  67           HE1      HIS  67 -10.100  -3.588  -8.399
  544    HE2  HIS  67           HE2      HIS  67 -10.410  -1.102  -8.699
  545    H    GLN  68           H        GLN  68  -8.647   0.230  -1.804
  546    HA   GLN  68           HA       GLN  68  -9.288  -1.526   0.335
  547    HB2  GLN  68           HB2      GLN  68  -7.685  -0.350   1.623
  548    HB3  GLN  68           HB3      GLN  68  -7.075  -0.325  -0.024
  549    HG2  GLN  68           HG2      GLN  68  -8.103   1.972  -0.233
  550    HG3  GLN  68           HG3      GLN  68  -8.356   1.916   1.510
  551   HE21  GLN  68          HE21      GLN  68  -5.623   0.512  -0.140
  552   HE22  GLN  68          HE22      GLN  68  -4.440   1.596   0.498
  553    H    GLU  69           H        GLU  69 -10.386   1.619  -0.654
  554    HA   GLU  69           HA       GLU  69 -11.687   2.387   1.728
  555    HB2  GLU  69           HB2      GLU  69 -11.335   3.962  -0.114
  556    HB3  GLU  69           HB3      GLU  69 -12.417   3.031  -1.140
  557    HG2  GLU  69           HG2      GLU  69 -14.243   3.500   0.495
  558    HG3  GLU  69           HG3      GLU  69 -13.135   4.581   1.337
  559    H    ARG  70           H        ARG  70 -12.513   0.112  -0.768
  560    HA   ARG  70           HA       ARG  70 -15.192  -0.210   0.402
  561    HB2  ARG  70           HB2      ARG  70 -15.868  -1.241  -1.678
  562    HB3  ARG  70           HB3      ARG  70 -15.103   0.304  -2.015
  563    HG2  ARG  70           HG2      ARG  70 -12.978  -1.028  -2.450
  564    HG3  ARG  70           HG3      ARG  70 -14.012  -2.456  -2.462
  565    HD2  ARG  70           HD2      ARG  70 -13.758  -1.758  -4.719
  566    HD3  ARG  70           HD3      ARG  70 -15.393  -1.320  -4.222
  567    HE   ARG  70           HE       ARG  70 -14.090   0.951  -3.732
  568   HH11  ARG  70          HH11      ARG  70 -14.049  -1.145  -6.544
  569   HH12  ARG  70          HH12      ARG  70 -13.624   0.136  -7.637
  570   HH21  ARG  70          HH21      ARG  70 -13.569   2.636  -5.174
  571   HH22  ARG  70          HH22      ARG  70 -13.342   2.280  -6.864
  572    H    LYS  71           H        LYS  71 -12.338  -1.431   1.050
  573    HA   LYS  71           HA       LYS  71 -13.418  -4.115   1.576
  574    HB2  LYS  71           HB2      LYS  71 -10.626  -3.591   0.534
  575    HB3  LYS  71           HB3      LYS  71 -11.280  -5.158   0.990
  576    HG2  LYS  71           HG2      LYS  71 -12.936  -4.989  -0.790
  577    HG3  LYS  71           HG3      LYS  71 -12.257  -3.427  -1.257
  578    HD2  LYS  71           HD2      LYS  71 -10.034  -4.715  -1.448
  579    HD3  LYS  71           HD3      LYS  71 -11.055  -6.154  -1.491
  580    HE2  LYS  71           HE2      LYS  71 -11.330  -3.783  -3.322
  581    HE3  LYS  71           HE3      LYS  71 -10.496  -5.283  -3.737
  582    HZ1  LYS  71           HZ1      LYS  71 -12.778  -5.196  -4.580
  583    HZ2  LYS  71           HZ2      LYS  71 -13.370  -5.092  -2.995
  584    HZ3  LYS  71           HZ3      LYS  71 -12.550  -6.486  -3.506
  585    H    LEU  72           H        LEU  72 -10.822  -4.985   2.648
  586    HA   LEU  72           HA       LEU  72  -9.788  -5.201   4.611
  587    HB2  LEU  72           HB2      LEU  72 -10.252  -2.239   4.605
  588    HB3  LEU  72           HB3      LEU  72  -9.526  -3.035   5.987
  589    HG   LEU  72           HG       LEU  72  -7.702  -3.856   4.541
  590   HD11  LEU  72          HD11      LEU  72  -7.431  -2.879   2.304
  591   HD12  LEU  72          HD12      LEU  72  -9.041  -2.169   2.432
  592   HD13  LEU  72          HD13      LEU  72  -8.848  -3.922   2.410
  593   HD21  LEU  72          HD21      LEU  72  -7.489  -1.781   5.797
  594   HD22  LEU  72          HD22      LEU  72  -8.150  -0.889   4.427
  595   HD23  LEU  72          HD23      LEU  72  -6.600  -1.714   4.275
  596    H    HIS  73           H        HIS  73 -12.316  -2.817   5.302
  597    HA   HIS  73           HA       HIS  73 -13.990  -4.349   6.877
  598    HB2  HIS  73           HB2      HIS  73 -12.025  -4.803   8.275
  599    HB3  HIS  73           HB3      HIS  73 -11.744  -3.082   8.457
  600    HD1  HIS  73           HD1      HIS  73 -14.045  -5.839   9.579
  601    HD2  HIS  73           HD2      HIS  73 -13.282  -1.837  10.432
  602    HE1  HIS  73           HE1      HIS  73 -15.326  -5.332  11.688
  603    HE2  HIS  73           HE2      HIS  73 -14.790  -2.927  12.230
  604    H    GLY  74           H        GLY  74 -12.438  -1.365   6.126
  605    HA2  GLY  74           HA2      GLY  74 -13.655   0.619   5.642
  606    HA3  GLY  74           HA3      GLY  74 -14.918   0.075   6.738
  607    H    THR  75           H        THR  75 -11.779  -0.356   7.939
  608    HA   THR  75           HA       THR  75 -12.017   2.090   9.555
  609    HB   THR  75           HB       THR  75 -10.568   0.666  11.201
  610    HG1  THR  75           HG1      THR  75 -10.299  -1.322  10.532
  611   HG21  THR  75          HG21      THR  75 -12.787   1.491  11.738
  612   HG22  THR  75          HG22      THR  75 -12.630  -0.183  12.273
  613   HG23  THR  75          HG23      THR  75 -13.524   0.193  10.801
  614    H    LEU  76           H        LEU  76 -10.532   3.520   8.949
  615    HA   LEU  76           HA       LEU  76  -7.770   2.648   8.629
  616    HB2  LEU  76           HB2      LEU  76  -9.383   4.125   6.571
  617    HB3  LEU  76           HB3      LEU  76  -7.637   4.271   6.636
  618    HG   LEU  76           HG       LEU  76  -9.136   1.678   6.281
  619   HD11  LEU  76          HD11      LEU  76  -8.334   1.752   3.976
  620   HD12  LEU  76          HD12      LEU  76  -7.606   3.330   4.271
  621   HD13  LEU  76          HD13      LEU  76  -9.358   3.145   4.328
  622   HD21  LEU  76          HD21      LEU  76  -6.966   1.469   7.422
  623   HD22  LEU  76          HD22      LEU  76  -6.191   2.313   6.082
  624   HD23  LEU  76          HD23      LEU  76  -6.940   0.737   5.815
  625    HA   PRO  77           HA       PRO  77  -7.062   6.333  10.874
  626    HB2  PRO  77           HB2      PRO  77  -4.459   6.637  10.588
  627    HB3  PRO  77           HB3      PRO  77  -5.104   5.113  11.225
  628    HG2  PRO  77           HG2      PRO  77  -4.185   5.737   8.438
  629    HG3  PRO  77           HG3      PRO  77  -3.796   4.332   9.452
  630    HD2  PRO  77           HD2      PRO  77  -5.793   4.381   7.542
  631    HD3  PRO  77           HD3      PRO  77  -5.750   3.272   8.928
  632    H    LYS  78           H        LYS  78  -6.052   8.558  10.769
  633    HA   LYS  78           HA       LYS  78  -6.821   9.812   8.277
  634    HB2  LYS  78           HB2      LYS  78  -5.962  11.913   9.714
  635    HB3  LYS  78           HB3      LYS  78  -7.580  11.249   9.843
  636    HG2  LYS  78           HG2      LYS  78  -6.744  11.656  12.032
  637    HG3  LYS  78           HG3      LYS  78  -6.825   9.915  11.791
  638    HD2  LYS  78           HD2      LYS  78  -4.781  10.377  12.906
  639    HD3  LYS  78           HD3      LYS  78  -4.375   9.985  11.236
  640    HE2  LYS  78           HE2      LYS  78  -4.061  12.303  10.704
  641    HE3  LYS  78           HE3      LYS  78  -4.677  12.796  12.281
  642    HZ1  LYS  78           HZ1      LYS  78  -2.784  11.871  13.340
  643    HZ2  LYS  78           HZ2      LYS  78  -2.213  12.837  12.070
  644    HZ3  LYS  78           HZ3      LYS  78  -2.236  11.146  11.912
  645    H    LEU  79           H        LEU  79  -4.873   8.375   7.512
  646    HA   LEU  79           HA       LEU  79  -2.388   9.829   7.604
  647    HB2  LEU  79           HB2      LEU  79  -1.379   8.039   6.447
  648    HB3  LEU  79           HB3      LEU  79  -2.488   7.315   7.582
  649    HG   LEU  79           HG       LEU  79  -2.713   6.000   5.705
  650   HD11  LEU  79          HD11      LEU  79  -4.873   6.427   4.647
  651   HD12  LEU  79          HD12      LEU  79  -4.902   8.025   5.389
  652   HD13  LEU  79          HD13      LEU  79  -4.920   6.576   6.403
  653   HD21  LEU  79          HD21      LEU  79  -2.895   6.795   3.399
  654   HD22  LEU  79          HD22      LEU  79  -1.382   7.281   4.166
  655   HD23  LEU  79          HD23      LEU  79  -2.687   8.451   3.968
  656    H    ASN  80           H        ASN  80  -5.091  10.397   6.226
  657    HA   ASN  80           HA       ASN  80  -5.889  11.613   4.500
  658    HB2  ASN  80           HB2      ASN  80  -2.992  12.433   4.213
  659    HB3  ASN  80           HB3      ASN  80  -4.326  13.170   3.331
  660   HD21  ASN  80          HD21      ASN  80  -2.764  12.825   6.405
  661   HD22  ASN  80          HD22      ASN  80  -3.621  14.096   7.211
  662    H    PHE  81           H        PHE  81  -6.332   9.479   3.604
  663    HA   PHE  81           HA       PHE  81  -4.670   8.401   1.576
  664    HB2  PHE  81           HB2      PHE  81  -7.008   7.325   0.903
  665    HB3  PHE  81           HB3      PHE  81  -6.084   6.760   2.285
  666    HD1  PHE  81           HD1      PHE  81  -8.875   9.018   1.326
  667    HD2  PHE  81           HD2      PHE  81  -7.015   6.751   4.409
  668    HE1  PHE  81           HE1      PHE  81 -10.811   9.420   2.789
  669    HE2  PHE  81           HE2      PHE  81  -8.949   7.152   5.876
  670    HZ   PHE  81           HZ       PHE  81 -10.850   8.488   5.065
  671    H    GLY  82           H        GLY  82  -6.927  10.986   1.650
  672    HA2  GLY  82           HA2      GLY  82  -7.532  11.058  -1.143
  673    HA3  GLY  82           HA3      GLY  82  -7.764  12.368   0.007
  674    H    MET  83           H        MET  83  -4.641  11.483   0.349
  675    HA   MET  83           HA       MET  83  -3.573  13.783  -0.787
  676    HB2  MET  83           HB2      MET  83  -2.519  12.579   1.050
  677    HB3  MET  83           HB3      MET  83  -2.252  11.192   0.005
  678    HG2  MET  83           HG2      MET  83  -0.764  12.531  -1.380
  679    HG3  MET  83           HG3      MET  83  -1.015  13.903  -0.307
  680    HE1  MET  83           HE1      MET  83  -0.669  10.103   0.643
  681    HE2  MET  83           HE2      MET  83   1.055   9.980   0.988
  682    HE3  MET  83           HE3      MET  83   0.505  10.284  -0.658
  683    H    LEU  84           H        LEU  84  -3.993  10.573  -2.037
  684    HA   LEU  84           HA       LEU  84  -2.862  11.474  -4.567
  685    HB2  LEU  84           HB2      LEU  84  -1.996   9.224  -5.043
  686    HB3  LEU  84           HB3      LEU  84  -1.204  10.018  -3.707
  687    HG   LEU  84           HG       LEU  84  -1.464   7.635  -3.305
  688   HD11  LEU  84          HD11      LEU  84  -2.174   7.719  -1.098
  689   HD12  LEU  84          HD12      LEU  84  -3.367   8.968  -1.431
  690   HD13  LEU  84          HD13      LEU  84  -1.652   9.370  -1.445
  691   HD21  LEU  84          HD21      LEU  84  -4.409   8.160  -3.580
  692   HD22  LEU  84          HD22      LEU  84  -3.725   6.683  -2.898
  693   HD23  LEU  84          HD23      LEU  84  -3.406   7.108  -4.580
  694    H    ARG  85           H        ARG  85  -5.614  10.525  -3.103
  695    HA   ARG  85           HA       ARG  85  -6.700   9.017  -5.329
  696    HB2  ARG  85           HB2      ARG  85  -8.086  10.166  -2.897
  697    HB3  ARG  85           HB3      ARG  85  -8.836   9.117  -4.090
  698    HG2  ARG  85           HG2      ARG  85  -7.092   7.393  -3.486
  699    HG3  ARG  85           HG3      ARG  85  -6.674   8.433  -2.122
  700    HD2  ARG  85           HD2      ARG  85  -9.316   7.099  -2.680
  701    HD3  ARG  85           HD3      ARG  85  -8.213   6.786  -1.341
  702    HE   ARG  85           HE       ARG  85  -8.801   9.367  -0.950
  703   HH11  ARG  85          HH11      ARG  85 -10.825   6.606  -1.620
  704   HH12  ARG  85          HH12      ARG  85 -12.206   7.223  -0.760
  705   HH21  ARG  85          HH21      ARG  85 -10.623  10.228   0.174
  706   HH22  ARG  85          HH22      ARG  85 -12.100   9.302   0.225
  707    H    LYS  86           H        LYS  86  -7.937   9.807  -6.931
  708    HA   LYS  86           HA       LYS  86  -8.847  11.295  -8.380
  709    HB2  LYS  86           HB2      LYS  86 -10.169  12.039  -6.347
  710    HB3  LYS  86           HB3      LYS  86  -8.963  13.297  -6.114
  711    HG2  LYS  86           HG2      LYS  86 -10.948  14.136  -7.260
  712    HG3  LYS  86           HG3      LYS  86  -9.509  14.253  -8.276
  713    HD2  LYS  86           HD2      LYS  86 -10.191  12.096  -9.343
  714    HD3  LYS  86           HD3      LYS  86 -11.704  12.193  -8.440
  715    HE2  LYS  86           HE2      LYS  86 -12.239  14.298  -9.518
  716    HE3  LYS  86           HE3      LYS  86 -10.697  14.273 -10.373
  717    HZ1  LYS  86           HZ1      LYS  86 -12.421  13.508 -11.821
  718    HZ2  LYS  86           HZ2      LYS  86 -12.930  12.345 -10.697
  719    HZ3  LYS  86           HZ3      LYS  86 -11.416  12.197 -11.445
  720    H    MET  87           H        MET  87  -5.977  11.256  -7.236
  721    HA   MET  87           HA       MET  87  -4.992  13.675  -8.575
  722    HB2  MET  87           HB2      MET  87  -4.188  13.297  -6.268
  723    HB3  MET  87           HB3      MET  87  -3.554  11.732  -6.751
  724    HG2  MET  87           HG2      MET  87  -1.756  13.297  -6.634
  725    HG3  MET  87           HG3      MET  87  -2.033  12.878  -8.324
  726    HE1  MET  87           HE1      MET  87  -3.448  16.826  -6.406
  727    HE2  MET  87           HE2      MET  87  -2.522  15.602  -5.534
  728    HE3  MET  87           HE3      MET  87  -4.169  15.253  -6.060
  729    H    GLY  88           H        GLY  88  -5.137  10.236  -8.648
  730    HA2  GLY  88           HA2      GLY  88  -3.889  10.261 -11.302
  731    HA3  GLY  88           HA3      GLY  88  -3.319   9.104 -10.105
  Start of MODEL   30
    1    H1   PHE   1           HT1      PHE   1  14.159 -11.951   3.096
    2    H2   PHE   1           HT2      PHE   1  14.378 -10.515   3.966
    3    H3   PHE   1           HT3      PHE   1  15.720 -11.332   3.337
    4    HA   PHE   1           HA       PHE   1  15.260  -9.436   1.991
    5    HB2  PHE   1           HB2      PHE   1  16.016 -11.532   0.874
    6    HB3  PHE   1           HB3      PHE   1  14.333 -11.954   0.582
    7    HD1  PHE   1           HD2      PHE   1  16.996  -9.537  -0.240
    8    HD2  PHE   1           HD1      PHE   1  13.132 -11.022  -1.226
    9    HE1  PHE   1           HE2      PHE   1  17.049  -8.266  -2.344
   10    HE2  PHE   1           HE1      PHE   1  13.177  -9.750  -3.331
   11    HZ   PHE   1           HZ       PHE   1  15.138  -8.373  -3.892
   12    H    LEU   2           H        LEU   2  12.468 -11.335   2.806
   13    HA   LEU   2           HA       LEU   2  10.490  -9.988   1.352
   14    HB2  LEU   2           HB2      LEU   2  10.051 -12.031   2.631
   15    HB3  LEU   2           HB3      LEU   2  10.373 -11.178   4.129
   16    HG   LEU   2           HG       LEU   2   8.410  -9.661   3.496
   17   HD11  LEU   2          HD11      LEU   2   6.734 -10.689   2.026
   18   HD12  LEU   2          HD12      LEU   2   7.890 -11.957   1.616
   19   HD13  LEU   2          HD13      LEU   2   8.220 -10.282   1.169
   20   HD21  LEU   2          HD21      LEU   2   8.303 -11.282   5.298
   21   HD22  LEU   2          HD22      LEU   2   7.916 -12.563   4.148
   22   HD23  LEU   2          HD23      LEU   2   6.779 -11.239   4.413
   23    H    LEU   3           H        LEU   3   9.375  -8.105   1.708
   24    HA   LEU   3           HA       LEU   3  10.605  -6.064   3.232
   25    HB2  LEU   3           HB2      LEU   3   7.987  -6.274   1.776
   26    HB3  LEU   3           HB3      LEU   3   8.334  -4.884   2.783
   27    HG   LEU   3           HG       LEU   3   8.818  -4.349   0.487
   28   HD11  LEU   3          HD11      LEU   3  11.346  -4.748   2.074
   29   HD12  LEU   3          HD12      LEU   3  10.261  -3.361   2.169
   30   HD13  LEU   3          HD13      LEU   3  11.161  -3.677   0.687
   31   HD21  LEU   3          HD21      LEU   3   9.189  -6.602  -0.360
   32   HD22  LEU   3          HD22      LEU   3  10.708  -6.694   0.529
   33   HD23  LEU   3          HD23      LEU   3  10.527  -5.537  -0.789
   34    HA   PRO   4           HA       PRO   4   8.787  -7.332   7.120
   35    HB2  PRO   4           HB2      PRO   4  10.197  -4.978   8.157
   36    HB3  PRO   4           HB3      PRO   4  10.402  -6.680   8.580
   37    HG2  PRO   4           HG2      PRO   4  12.257  -5.305   7.180
   38    HG3  PRO   4           HG3      PRO   4  11.969  -7.038   6.935
   39    HD2  PRO   4           HD2      PRO   4  11.055  -4.709   5.289
   40    HD3  PRO   4           HD3      PRO   4  11.643  -6.302   4.766
   41    HA   PRO   5           HA       PRO   5   5.248  -4.662   6.845
   42    HB2  PRO   5           HB2      PRO   5   4.829  -5.731   9.598
   43    HB3  PRO   5           HB3      PRO   5   3.713  -5.680   8.228
   44    HG2  PRO   5           HG2      PRO   5   4.873  -7.965   8.907
   45    HG3  PRO   5           HG3      PRO   5   4.694  -7.527   7.196
   46    HD2  PRO   5           HD2      PRO   5   7.120  -7.396   8.945
   47    HD3  PRO   5           HD3      PRO   5   6.982  -7.885   7.243
   48    H    SER   6           H        SER   6   5.250  -2.550   7.157
   49    HA   SER   6           HA       SER   6   5.314  -0.518   8.130
   50    HB2  SER   6           HB2      SER   6   5.586  -2.082  10.706
   51    HB3  SER   6           HB3      SER   6   5.350  -0.336  10.616
   52    HG   SER   6           HG       SER   6   3.376  -0.739   9.500
   53    H    THR   7           H        THR   7   7.709  -2.041   7.248
   54    HA   THR   7           HA       THR   7   9.723  -0.350   8.581
   55    HB   THR   7           HB       THR   7  10.286  -2.887   7.036
   56    HG1  THR   7           HG1      THR   7   9.002  -3.096   9.067
   57   HG21  THR   7          HG21      THR   7  12.459  -2.775   8.114
   58   HG22  THR   7          HG22      THR   7  11.970  -1.337   9.010
   59   HG23  THR   7          HG23      THR   7  12.146  -1.266   7.256
   60    H    ALA   8           H        ALA   8  10.038   1.403   7.341
   61    HA   ALA   8           HA       ALA   8   9.511   1.161   4.474
   62    HB1  ALA   8           HB1      ALA   8   9.289   3.573   4.468
   63    HB2  ALA   8           HB2      ALA   8   9.809   3.646   6.150
   64    HB3  ALA   8           HB3      ALA   8   8.282   2.868   5.733
   65    H    CYS   9           H        CYS   9  11.516   0.141   3.968
   66    HA   CYS   9           HA       CYS   9  13.242   2.122   2.882
   67    HB2  CYS   9           HB2      CYS   9  14.207   1.689   5.234
   68    HB3  CYS   9           HB3      CYS   9  14.684   0.114   4.600
   69    H    CYS  10           H        CYS  10  11.872   0.854   1.356
   70    HA   CYS  10           HA       CYS  10  12.916  -1.732   0.585
   71    HB2  CYS  10           HB2      CYS  10  10.557  -1.469   0.366
   72    HB3  CYS  10           HB3      CYS  10  10.740   0.059  -0.488
   73    H    THR  11           H        THR  11  14.586  -1.952  -0.699
   74    HA   THR  11           HA       THR  11  15.203   0.222  -2.579
   75    HB   THR  11           HB       THR  11  16.990  -0.055  -1.008
   76    HG1  THR  11           HG1      THR  11  17.353  -0.745  -3.654
   77   HG21  THR  11          HG21      THR  11  18.203  -2.201  -0.765
   78   HG22  THR  11          HG22      THR  11  16.956  -2.982  -1.740
   79   HG23  THR  11          HG23      THR  11  16.542  -2.268  -0.179
   80    H    GLN  12           H        GLN  12  13.613  -2.552  -2.570
   81    HA   GLN  12           HA       GLN  12  14.344  -3.126  -5.326
   82    HB2  GLN  12           HB2      GLN  12  13.767  -5.634  -4.651
   83    HB3  GLN  12           HB3      GLN  12  15.396  -4.987  -4.597
   84    HG2  GLN  12           HG2      GLN  12  15.031  -6.262  -2.624
   85    HG3  GLN  12           HG3      GLN  12  15.087  -4.564  -2.168
   86   HE21  GLN  12          HE21      GLN  12  13.326  -3.636  -1.257
   87   HE22  GLN  12          HE22      GLN  12  11.879  -4.483  -0.868
   88    H    LEU  13           H        LEU  13  12.627  -2.234  -6.217
   89    HA   LEU  13           HA       LEU  13   9.994  -2.427  -5.107
   90    HB2  LEU  13           HB2      LEU  13  10.904  -1.443  -7.814
   91    HB3  LEU  13           HB3      LEU  13   9.317  -1.185  -7.114
   92    HG   LEU  13           HG       LEU  13  11.853  -0.145  -5.856
   93   HD11  LEU  13          HD11      LEU  13  11.557   0.818  -8.094
   94   HD12  LEU  13          HD12      LEU  13  11.303   2.014  -6.823
   95   HD13  LEU  13          HD13      LEU  13   9.921   1.307  -7.658
   96   HD21  LEU  13          HD21      LEU  13   9.919  -0.404  -4.371
   97   HD22  LEU  13          HD22      LEU  13   8.955   0.588  -5.467
   98   HD23  LEU  13          HD23      LEU  13  10.334   1.291  -4.623
   99    H    TYR  14           H        TYR  14   8.248  -3.633  -5.795
  100    HA   TYR  14           HA       TYR  14   8.817  -6.047  -7.237
  101    HB2  TYR  14           HB2      TYR  14   7.116  -5.734  -5.335
  102    HB3  TYR  14           HB3      TYR  14   6.063  -5.017  -6.550
  103    HD1  TYR  14           HD2      TYR  14   8.213  -8.063  -6.237
  104    HD2  TYR  14           HD1      TYR  14   4.463  -6.431  -7.407
  105    HE1  TYR  14           HE2      TYR  14   7.441 -10.311  -6.858
  106    HE2  TYR  14           HE1      TYR  14   3.675  -8.679  -8.032
  107    HH   TYR  14           HH       TYR  14   5.399 -11.529  -7.166
  108    H    ARG  15           H        ARG  15   7.141  -3.029  -7.890
  109    HA   ARG  15           HA       ARG  15   6.837  -1.862  -9.811
  110    HB2  ARG  15           HB2      ARG  15   8.394  -4.124 -11.057
  111    HB3  ARG  15           HB3      ARG  15   7.867  -2.695 -11.936
  112    HG2  ARG  15           HG2      ARG  15   9.229  -1.280 -10.541
  113    HG3  ARG  15           HG3      ARG  15   9.674  -2.655  -9.526
  114    HD2  ARG  15           HD2      ARG  15  10.309  -2.375 -12.462
  115    HD3  ARG  15           HD3      ARG  15  11.438  -2.064 -11.144
  116    HE   ARG  15           HE       ARG  15  10.766  -4.561 -10.596
  117   HH11  ARG  15          HH11      ARG  15  11.557  -3.105 -13.685
  118   HH12  ARG  15          HH12      ARG  15  12.170  -4.584 -14.363
  119   HH21  ARG  15          HH21      ARG  15  11.587  -6.483 -11.460
  120   HH22  ARG  15          HH22      ARG  15  12.210  -6.512 -13.083
  121    H    LYS  16           H        LYS  16   5.720  -5.083  -9.519
  122    HA   LYS  16           HA       LYS  16   4.019  -4.912 -11.869
  123    HB2  LYS  16           HB2      LYS  16   4.348  -7.080  -9.798
  124    HB3  LYS  16           HB3      LYS  16   3.297  -7.192 -11.202
  125    HG2  LYS  16           HG2      LYS  16   5.308  -6.883 -12.641
  126    HG3  LYS  16           HG3      LYS  16   6.294  -6.996 -11.178
  127    HD2  LYS  16           HD2      LYS  16   5.335  -9.202 -10.714
  128    HD3  LYS  16           HD3      LYS  16   4.383  -9.093 -12.194
  129    HE2  LYS  16           HE2      LYS  16   6.474  -8.948 -13.491
  130    HE3  LYS  16           HE3      LYS  16   7.390  -9.137 -11.994
  131    HZ1  LYS  16           HZ1      LYS  16   7.234 -11.259 -13.017
  132    HZ2  LYS  16           HZ2      LYS  16   5.559 -11.117 -13.235
  133    HZ3  LYS  16           HZ3      LYS  16   6.197 -11.279 -11.676
  134    HA   PRO  17           HA       PRO  17   0.344  -3.823  -9.556
  135    HB2  PRO  17           HB2      PRO  17  -1.555  -4.846 -11.176
  136    HB3  PRO  17           HB3      PRO  17  -0.628  -3.407 -11.615
  137    HG2  PRO  17           HG2      PRO  17  -0.268  -6.238 -12.509
  138    HG3  PRO  17           HG3      PRO  17  -0.166  -4.744 -13.456
  139    HD2  PRO  17           HD2      PRO  17   2.018  -6.100 -12.518
  140    HD3  PRO  17           HD3      PRO  17   2.002  -4.354 -12.834
  141    H    LEU  18           H        LEU  18  -0.952  -4.769  -8.021
  142    HA   LEU  18           HA       LEU  18  -0.500  -7.629  -7.616
  143    HB2  LEU  18           HB2      LEU  18  -1.593  -5.531  -5.737
  144    HB3  LEU  18           HB3      LEU  18  -1.248  -7.198  -5.317
  145    HG   LEU  18           HG       LEU  18   0.806  -5.165  -6.195
  146   HD11  LEU  18          HD11      LEU  18   0.167  -6.286  -3.471
  147   HD12  LEU  18          HD12      LEU  18  -0.011  -4.613  -4.004
  148   HD13  LEU  18          HD13      LEU  18   1.595  -5.326  -3.859
  149   HD21  LEU  18          HD21      LEU  18   2.448  -6.842  -5.563
  150   HD22  LEU  18          HD22      LEU  18   1.389  -7.456  -6.832
  151   HD23  LEU  18          HD23      LEU  18   1.161  -7.976  -5.162
  152    H    SER  19           H        SER  19  -2.148  -9.093  -7.315
  153    HA   SER  19           HA       SER  19  -4.552  -8.590  -8.744
  154    HB2  SER  19           HB2      SER  19  -3.872 -10.937  -6.957
  155    HB3  SER  19           HB3      SER  19  -5.097 -10.898  -8.228
  156    HG   SER  19           HG       SER  19  -2.557 -11.554  -8.464
  157    H    ASP  20           H        ASP  20  -6.670  -8.449  -7.992
  158    HA   ASP  20           HA       ASP  20  -7.037  -6.915  -5.668
  159    HB2  ASP  20           HB2      ASP  20  -8.515  -6.957  -7.726
  160    HB3  ASP  20           HB3      ASP  20  -9.194  -8.456  -7.104
  161    H    LYS  21           H        LYS  21  -7.282 -10.351  -6.253
  162    HA   LYS  21           HA       LYS  21  -8.698 -11.083  -3.936
  163    HB2  LYS  21           HB2      LYS  21  -6.699 -12.595  -5.614
  164    HB3  LYS  21           HB3      LYS  21  -7.591 -13.327  -4.286
  165    HG2  LYS  21           HG2      LYS  21  -9.697 -12.813  -5.409
  166    HG3  LYS  21           HG3      LYS  21  -8.806 -12.070  -6.738
  167    HD2  LYS  21           HD2      LYS  21  -7.801 -14.173  -7.314
  168    HD3  LYS  21           HD3      LYS  21  -8.495 -14.946  -5.885
  169    HE2  LYS  21           HE2      LYS  21 -10.045 -13.777  -8.193
  170    HE3  LYS  21           HE3      LYS  21  -9.750 -15.493  -7.916
  171    HZ1  LYS  21           HZ1      LYS  21 -11.939 -14.866  -7.145
  172    HZ2  LYS  21           HZ2      LYS  21 -11.282 -13.673  -6.130
  173    HZ3  LYS  21           HZ3      LYS  21 -10.969 -15.312  -5.825
  174    H    LEU  22           H        LEU  22  -5.174 -10.873  -4.510
  175    HA   LEU  22           HA       LEU  22  -4.597 -11.481  -1.775
  176    HB2  LEU  22           HB2      LEU  22  -2.286 -10.974  -2.288
  177    HB3  LEU  22           HB3      LEU  22  -2.975 -12.008  -3.519
  178    HG   LEU  22           HG       LEU  22  -3.310  -9.769  -4.829
  179   HD11  LEU  22          HD11      LEU  22  -1.563  -8.128  -4.374
  180   HD12  LEU  22          HD12      LEU  22  -1.074  -9.038  -2.944
  181   HD13  LEU  22          HD13      LEU  22  -2.666  -8.282  -3.006
  182   HD21  LEU  22          HD21      LEU  22  -1.883 -11.613  -5.528
  183   HD22  LEU  22          HD22      LEU  22  -0.610 -11.054  -4.442
  184   HD23  LEU  22          HD23      LEU  22  -1.094 -10.063  -5.819
  185    H    LEU  23           H        LEU  23  -5.305  -8.626  -3.591
  186    HA   LEU  23           HA       LEU  23  -4.294  -6.695  -1.818
  187    HB2  LEU  23           HB2      LEU  23  -6.562  -6.609  -3.788
  188    HB3  LEU  23           HB3      LEU  23  -6.118  -5.222  -2.817
  189    HG   LEU  23           HG       LEU  23  -4.330  -6.612  -4.815
  190   HD11  LEU  23          HD11      LEU  23  -4.561  -4.535  -6.094
  191   HD12  LEU  23          HD12      LEU  23  -5.715  -3.935  -4.901
  192   HD13  LEU  23          HD13      LEU  23  -6.112  -5.347  -5.880
  193   HD21  LEU  23          HD21      LEU  23  -3.865  -4.144  -3.140
  194   HD22  LEU  23          HD22      LEU  23  -2.792  -4.754  -4.400
  195   HD23  LEU  23          HD23      LEU  23  -3.064  -5.705  -2.939
  196    H    ARG  24           H        ARG  24  -7.455  -8.353  -1.912
  197    HA   ARG  24           HA       ARG  24  -8.618  -6.800   0.145
  198    HB2  ARG  24           HB2      ARG  24 -10.347  -8.420   0.264
  199    HB3  ARG  24           HB3      ARG  24  -9.862  -8.317  -1.420
  200    HG2  ARG  24           HG2      ARG  24  -8.584 -10.369  -1.198
  201    HG3  ARG  24           HG3      ARG  24  -9.011 -10.462   0.512
  202    HD2  ARG  24           HD2      ARG  24 -10.896 -10.610  -1.835
  203    HD3  ARG  24           HD3      ARG  24 -10.450 -11.927  -0.752
  204    HE   ARG  24           HE       ARG  24 -11.498  -9.973   0.877
  205   HH11  ARG  24          HH11      ARG  24 -12.633 -11.896  -1.824
  206   HH12  ARG  24          HH12      ARG  24 -14.304 -11.814  -1.343
  207   HH21  ARG  24          HH21      ARG  24 -13.679  -9.888   1.528
  208   HH22  ARG  24          HH22      ARG  24 -14.900 -10.668   0.570
  209    H    LYS  25           H        LYS  25  -6.040  -8.794   0.340
  210    HA   LYS  25           HA       LYS  25  -6.470  -9.546   3.142
  211    HB2  LYS  25           HB2      LYS  25  -4.441 -10.429   1.088
  212    HB3  LYS  25           HB3      LYS  25  -4.394 -10.919   2.778
  213    HG2  LYS  25           HG2      LYS  25  -6.288 -12.227   2.588
  214    HG3  LYS  25           HG3      LYS  25  -6.864 -11.364   1.163
  215    HD2  LYS  25           HD2      LYS  25  -5.984 -13.685   0.751
  216    HD3  LYS  25           HD3      LYS  25  -5.264 -12.412  -0.232
  217    HE2  LYS  25           HE2      LYS  25  -3.291 -12.389   1.107
  218    HE3  LYS  25           HE3      LYS  25  -4.026 -13.449   2.310
  219    HZ1  LYS  25           HZ1      LYS  25  -3.493 -14.239  -0.505
  220    HZ2  LYS  25           HZ2      LYS  25  -4.028 -15.245   0.754
  221    HZ3  LYS  25           HZ3      LYS  25  -2.466 -14.591   0.799
  222    H    VAL  26           H        VAL  26  -5.284  -7.056   1.379
  223    HA   VAL  26           HA       VAL  26  -3.043  -6.372   3.106
  224    HB   VAL  26           HB       VAL  26  -4.428  -4.630   1.053
  225   HG11  VAL  26          HG11      VAL  26  -2.327  -3.385   1.032
  226   HG12  VAL  26          HG12      VAL  26  -1.680  -4.460   2.273
  227   HG13  VAL  26          HG13      VAL  26  -3.048  -3.409   2.643
  228   HG21  VAL  26          HG21      VAL  26  -3.627  -6.657  -0.037
  229   HG22  VAL  26          HG22      VAL  26  -2.031  -6.421   0.675
  230   HG23  VAL  26          HG23      VAL  26  -2.645  -5.267  -0.508
  231    H    ILE  27           H        ILE  27  -3.160  -4.871   4.775
  232    HA   ILE  27           HA       ILE  27  -5.902  -4.043   5.453
  233    HB   ILE  27           HB       ILE  27  -5.175  -4.097   7.835
  234   HG12  ILE  27          HG12      ILE  27  -2.743  -5.476   6.664
  235   HG13  ILE  27          HG13      ILE  27  -2.757  -3.936   7.517
  236   HG21  ILE  27          HG21      ILE  27  -6.481  -5.894   6.871
  237   HG22  ILE  27          HG22      ILE  27  -5.317  -6.547   8.025
  238   HG23  ILE  27          HG23      ILE  27  -5.014  -6.682   6.292
  239   HD11  ILE  27          HD11      ILE  27  -3.413  -6.628   8.688
  240   HD12  ILE  27          HD12      ILE  27  -3.487  -5.093   9.552
  241   HD13  ILE  27          HD13      ILE  27  -1.939  -5.695   8.953
  242    H    GLN  28           H        GLN  28  -2.660  -2.938   4.976
  243    HA   GLN  28           HA       GLN  28  -3.523  -0.212   5.582
  244    HB2  GLN  28           HB2      GLN  28  -1.190  -1.603   6.873
  245    HB3  GLN  28           HB3      GLN  28  -1.233   0.145   6.708
  246    HG2  GLN  28           HG2      GLN  28  -3.251  -1.537   8.178
  247    HG3  GLN  28           HG3      GLN  28  -1.967  -0.577   8.912
  248   HE21  GLN  28          HE21      GLN  28  -4.826  -0.370   9.314
  249   HE22  GLN  28          HE22      GLN  28  -5.266   1.243   8.858
  250    H    VAL  29           H        VAL  29  -2.224   1.428   4.635
  251    HA   VAL  29           HA       VAL  29  -0.321   0.493   2.581
  252    HB   VAL  29           HB       VAL  29  -1.789   3.137   2.533
  253   HG11  VAL  29          HG11      VAL  29   0.275   3.141   1.281
  254   HG12  VAL  29          HG12      VAL  29  -1.088   3.149   0.159
  255   HG13  VAL  29          HG13      VAL  29  -0.191   1.660   0.444
  256   HG21  VAL  29          HG21      VAL  29  -3.246   2.202   0.810
  257   HG22  VAL  29          HG22      VAL  29  -3.430   1.343   2.340
  258   HG23  VAL  29          HG23      VAL  29  -2.497   0.620   1.029
  259    H    GLU  30           H        GLU  30   1.742   1.050   2.979
  260    HA   GLU  30           HA       GLU  30   2.197   3.243   4.885
  261    HB2  GLU  30           HB2      GLU  30   4.398   1.898   5.323
  262    HB3  GLU  30           HB3      GLU  30   2.896   1.431   6.105
  263    HG2  GLU  30           HG2      GLU  30   2.601  -0.205   4.162
  264    HG3  GLU  30           HG3      GLU  30   4.296   0.120   3.800
  265    H    LEU  31           H        LEU  31   3.335   4.910   4.198
  266    HA   LEU  31           HA       LEU  31   4.372   4.776   1.478
  267    HB2  LEU  31           HB2      LEU  31   2.784   6.529   1.888
  268    HB3  LEU  31           HB3      LEU  31   3.684   7.094   3.281
  269    HG   LEU  31           HG       LEU  31   5.493   7.864   1.840
  270   HD11  LEU  31          HD11      LEU  31   3.787   6.875  -0.442
  271   HD12  LEU  31          HD12      LEU  31   5.322   6.183   0.082
  272   HD13  LEU  31          HD13      LEU  31   5.274   7.812  -0.590
  273   HD21  LEU  31          HD21      LEU  31   3.672   9.399   2.313
  274   HD22  LEU  31          HD22      LEU  31   2.776   8.791   0.922
  275   HD23  LEU  31          HD23      LEU  31   4.292   9.660   0.683
  276    H    GLN  32           H        GLN  32   6.416   4.560   1.107
  277    HA   GLN  32           HA       GLN  32   8.413   5.146   3.144
  278    HB2  GLN  32           HB2      GLN  32   8.640   3.050   2.019
  279    HB3  GLN  32           HB3      GLN  32   8.515   3.820   0.444
  280    HG2  GLN  32           HG2      GLN  32  10.642   4.926   0.792
  281    HG3  GLN  32           HG3      GLN  32  10.760   4.207   2.401
  282   HE21  GLN  32          HE21      GLN  32  12.438   3.945  -0.023
  283   HE22  GLN  32          HE22      GLN  32  12.527   2.243  -0.323
  284    H    GLU  33           H        GLU  33   9.394   7.034   3.189
  285    HA   GLU  33           HA       GLU  33   8.921   8.955   1.096
  286    HB2  GLU  33           HB2      GLU  33  10.478   9.193   3.676
  287    HB3  GLU  33           HB3      GLU  33  10.031  10.528   2.621
  288    HG2  GLU  33           HG2      GLU  33   7.677  10.093   3.032
  289    HG3  GLU  33           HG3      GLU  33   8.091   8.717   4.055
  290    H    ALA  34           H        ALA  34  10.594  10.148   0.031
  291    HA   ALA  34           HA       ALA  34  12.533   8.325  -1.048
  292    HB1  ALA  34           HB1      ALA  34  11.255   9.923  -2.435
  293    HB2  ALA  34           HB2      ALA  34  12.998  10.057  -2.655
  294    HB3  ALA  34           HB3      ALA  34  12.138  11.246  -1.677
  295    H    ASP  35           H        ASP  35  12.585  10.347   1.571
  296    HA   ASP  35           HA       ASP  35  15.495  10.372   1.660
  297    HB2  ASP  35           HB2      ASP  35  15.603  12.750   2.217
  298    HB3  ASP  35           HB3      ASP  35  14.860  12.537   0.635
  299    H    GLY  36           H        GLY  36  12.754   9.530   3.066
  300    HA2  GLY  36           HA2      GLY  36  13.002  10.676   5.687
  301    HA3  GLY  36           HA3      GLY  36  11.885   9.408   5.203
  302    H    ASP  37           H        ASP  37  12.584   7.238   5.231
  303    HA   ASP  37           HA       ASP  37  14.875   6.800   7.028
  304    HB2  ASP  37           HB2      ASP  37  12.476   5.033   6.482
  305    HB3  ASP  37           HB3      ASP  37  13.811   4.621   7.555
  306    H    CYS  38           H        CYS  38  14.319   6.887   3.913
  307    HA   CYS  38           HA       CYS  38  16.364   4.967   3.247
  308    HB2  CYS  38           HB2      CYS  38  13.819   3.998   3.230
  309    HB3  CYS  38           HB3      CYS  38  13.929   4.633   1.596
  310    H    HIS  39           H        HIS  39  17.149   5.315   1.060
  311    HA   HIS  39           HA       HIS  39  16.618   8.045   0.161
  312    HB2  HIS  39           HB2      HIS  39  18.630   7.722  -1.275
  313    HB3  HIS  39           HB3      HIS  39  18.947   7.525   0.440
  314    HD1  HIS  39           HD1      HIS  39  20.671   5.779   0.714
  315    HD2  HIS  39           HD2      HIS  39  17.985   4.815  -2.317
  316    HE1  HIS  39           HE1      HIS  39  21.387   3.525  -0.141
  317    HE2  HIS  39           HE2      HIS  39  19.871   3.052  -2.097
  318    H    LEU  40           H        LEU  40  14.548   6.273  -0.315
  319    HA   LEU  40           HA       LEU  40  14.289   6.410  -3.177
  320    HB2  LEU  40           HB2      LEU  40  15.554   4.276  -2.742
  321    HB3  LEU  40           HB3      LEU  40  14.178   3.704  -1.827
  322    HG   LEU  40           HG       LEU  40  13.765   4.523  -4.674
  323   HD11  LEU  40          HD11      LEU  40  15.756   3.108  -4.730
  324   HD12  LEU  40          HD12      LEU  40  14.362   2.275  -5.417
  325   HD13  LEU  40          HD13      LEU  40  14.913   1.876  -3.790
  326   HD21  LEU  40          HD21      LEU  40  12.586   2.357  -2.929
  327   HD22  LEU  40          HD22      LEU  40  12.100   2.732  -4.583
  328   HD23  LEU  40          HD23      LEU  40  11.838   3.912  -3.300
  329    H    GLN  41           H        GLN  41  12.139   6.584  -3.740
  330    HA   GLN  41           HA       GLN  41  10.243   6.600  -1.512
  331    HB2  GLN  41           HB2      GLN  41  10.330   8.600  -2.901
  332    HB3  GLN  41           HB3      GLN  41  10.000   7.646  -4.338
  333    HG2  GLN  41           HG2      GLN  41   7.791   7.104  -3.506
  334    HG3  GLN  41           HG3      GLN  41   8.119   7.976  -2.011
  335   HE21  GLN  41          HE21      GLN  41   8.153  10.225  -2.032
  336   HE22  GLN  41          HE22      GLN  41   7.504  11.148  -3.341
  337    H    ALA  42           H        ALA  42   8.684   5.137  -1.276
  338    HA   ALA  42           HA       ALA  42   7.896   3.466  -3.526
  339    HB1  ALA  42           HB1      ALA  42   8.234   1.389  -2.242
  340    HB2  ALA  42           HB2      ALA  42   9.032   2.324  -0.975
  341    HB3  ALA  42           HB3      ALA  42   9.750   2.223  -2.585
  342    H    PHE  43           H        PHE  43   5.905   2.453  -3.247
  343    HA   PHE  43           HA       PHE  43   4.401   3.281  -0.862
  344    HB2  PHE  43           HB2      PHE  43   3.596   2.858  -3.711
  345    HB3  PHE  43           HB3      PHE  43   2.417   2.540  -2.442
  346    HD1  PHE  43           HD1      PHE  43   4.517   5.138  -4.002
  347    HD2  PHE  43           HD2      PHE  43   1.385   4.291  -1.249
  348    HE1  PHE  43           HE1      PHE  43   3.960   7.532  -3.905
  349    HE2  PHE  43           HE2      PHE  43   0.825   6.683  -1.140
  350    HZ   PHE  43           HZ       PHE  43   2.112   8.310  -2.474
  351    H    VAL  44           H        VAL  44   4.556   1.681   0.564
  352    HA   VAL  44           HA       VAL  44   4.726  -1.063  -0.427
  353    HB   VAL  44           HB       VAL  44   5.251  -0.006   2.359
  354   HG11  VAL  44          HG11      VAL  44   6.379  -2.136   2.733
  355   HG12  VAL  44          HG12      VAL  44   5.948  -2.662   1.105
  356   HG13  VAL  44          HG13      VAL  44   4.686  -2.391   2.306
  357   HG21  VAL  44          HG21      VAL  44   7.639  -0.262   1.744
  358   HG22  VAL  44          HG22      VAL  44   6.804   0.971   0.798
  359   HG23  VAL  44          HG23      VAL  44   7.139  -0.604   0.084
  360    H    LEU  45           H        LEU  45   3.183  -2.552  -0.052
  361    HA   LEU  45           HA       LEU  45   0.768  -1.600   1.308
  362    HB2  LEU  45           HB2      LEU  45   1.203  -3.760  -0.741
  363    HB3  LEU  45           HB3      LEU  45  -0.309  -3.569   0.131
  364    HG   LEU  45           HG       LEU  45   0.956  -1.544  -1.712
  365   HD11  LEU  45          HD11      LEU  45  -1.581  -3.149  -1.949
  366   HD12  LEU  45          HD12      LEU  45  -0.101  -3.403  -2.875
  367   HD13  LEU  45          HD13      LEU  45  -1.026  -1.914  -3.081
  368   HD21  LEU  45          HD21      LEU  45  -1.028  -0.192  -1.301
  369   HD22  LEU  45          HD22      LEU  45  -0.129  -0.459   0.192
  370   HD23  LEU  45          HD23      LEU  45  -1.603  -1.376  -0.126
  371    H    HIS  46           H        HIS  46   0.217  -2.343   3.176
  372    HA   HIS  46           HA       HIS  46   1.798  -4.476   4.379
  373    HB2  HIS  46           HB2      HIS  46   1.478  -2.236   5.483
  374    HB3  HIS  46           HB3      HIS  46  -0.227  -2.623   5.653
  375    HD1  HIS  46           HD1      HIS  46   2.595  -2.453   7.633
  376    HD2  HIS  46           HD2      HIS  46  -0.298  -5.397   7.111
  377    HE1  HIS  46           HE1      HIS  46   2.650  -3.849   9.735
  378    HE2  HIS  46           HE2      HIS  46   0.800  -5.542   9.450
  379    H    LEU  47           H        LEU  47   0.908  -6.348   3.576
  380    HA   LEU  47           HA       LEU  47  -1.914  -6.877   3.749
  381    HB2  LEU  47           HB2      LEU  47   0.433  -8.729   3.291
  382    HB3  LEU  47           HB3      LEU  47  -1.242  -9.237   3.256
  383    HG   LEU  47           HG       LEU  47  -1.531  -7.493   1.382
  384   HD11  LEU  47          HD11      LEU  47   1.463  -7.826   1.317
  385   HD12  LEU  47          HD12      LEU  47   0.587  -6.338   1.675
  386   HD13  LEU  47          HD13      LEU  47   0.482  -7.059   0.069
  387   HD21  LEU  47          HD21      LEU  47  -0.792  -9.114  -0.298
  388   HD22  LEU  47          HD22      LEU  47  -1.656  -9.892   1.028
  389   HD23  LEU  47          HD23      LEU  47   0.105  -9.987   0.944
  390    H    ALA  48           H        ALA  48  -2.610  -8.877   5.030
  391    HA   ALA  48           HA       ALA  48  -2.219  -8.199   7.757
  392    HB1  ALA  48           HB1      ALA  48  -3.729 -10.044   8.244
  393    HB2  ALA  48           HB2      ALA  48  -3.568 -10.628   6.587
  394    HB3  ALA  48           HB3      ALA  48  -4.337  -9.073   6.903
  395    H    GLN  49           H        GLN  49  -0.516 -10.242   5.656
  396    HA   GLN  49           HA       GLN  49   0.673 -11.702   7.918
  397    HB2  GLN  49           HB2      GLN  49   0.747 -12.642   5.059
  398    HB3  GLN  49           HB3      GLN  49   1.047 -13.570   6.514
  399    HG2  GLN  49           HG2      GLN  49  -1.029 -14.319   5.845
  400    HG3  GLN  49           HG3      GLN  49  -1.417 -13.117   7.073
  401   HE21  GLN  49          HE21      GLN  49  -0.394 -12.338   3.797
  402   HE22  GLN  49          HE22      GLN  49  -1.900 -11.663   3.293
  403    H    ARG  50           H        ARG  50   1.297  -9.400   5.485
  404    HA   ARG  50           HA       ARG  50   4.156  -9.599   5.659
  405    HB2  ARG  50           HB2      ARG  50   4.436 -10.186   3.223
  406    HB3  ARG  50           HB3      ARG  50   3.837 -11.505   4.226
  407    HG2  ARG  50           HG2      ARG  50   1.544 -10.987   3.486
  408    HG3  ARG  50           HG3      ARG  50   2.191  -9.735   2.427
  409    HD2  ARG  50           HD2      ARG  50   1.715 -11.801   1.223
  410    HD3  ARG  50           HD3      ARG  50   3.434 -11.404   1.183
  411    HE   ARG  50           HE       ARG  50   3.127 -13.094   3.337
  412   HH11  ARG  50          HH11      ARG  50   2.470 -13.280  -0.112
  413   HH12  ARG  50          HH12      ARG  50   2.736 -14.998  -0.187
  414   HH21  ARG  50          HH21      ARG  50   3.455 -15.351   3.222
  415   HH22  ARG  50          HH22      ARG  50   3.297 -16.170   1.693
  416    H    SER  51           H        SER  51   5.148  -8.184   3.786
  417    HA   SER  51           HA       SER  51   3.258  -6.098   2.956
  418    HB2  SER  51           HB2      SER  51   5.988  -5.678   4.193
  419    HB3  SER  51           HB3      SER  51   5.143  -4.426   3.284
  420    HG   SER  51           HG       SER  51   4.275  -3.996   5.145
  421    H    ILE  52           H        ILE  52   3.512  -5.343   0.919
  422    HA   ILE  52           HA       ILE  52   5.684  -6.534  -0.689
  423    HB   ILE  52           HB       ILE  52   2.894  -5.787  -1.609
  424   HG12  ILE  52          HG12      ILE  52   4.201  -8.497  -1.271
  425   HG13  ILE  52          HG13      ILE  52   2.962  -7.822  -0.220
  426   HG21  ILE  52          HG21      ILE  52   4.537  -5.421  -3.366
  427   HG22  ILE  52          HG22      ILE  52   3.543  -6.827  -3.742
  428   HG23  ILE  52          HG23      ILE  52   5.180  -7.046  -3.126
  429   HD11  ILE  52          HD11      ILE  52   2.053  -9.457  -1.783
  430   HD12  ILE  52          HD12      ILE  52   2.608  -8.470  -3.137
  431   HD13  ILE  52          HD13      ILE  52   1.367  -7.854  -2.046
  432    H    CYS  53           H        CYS  53   6.733  -5.169  -2.180
  433    HA   CYS  53           HA       CYS  53   6.446  -2.336  -1.474
  434    HB2  CYS  53           HB2      CYS  53   8.632  -3.299  -1.021
  435    HB3  CYS  53           HB3      CYS  53   8.755  -3.869  -2.683
  436    H    ILE  54           H        ILE  54   5.573  -1.005  -2.899
  437    HA   ILE  54           HA       ILE  54   5.545  -1.815  -5.723
  438    HB   ILE  54           HB       ILE  54   3.405  -1.080  -3.939
  439   HG12  ILE  54          HG12      ILE  54   3.423  -1.974  -6.827
  440   HG13  ILE  54          HG13      ILE  54   3.442  -3.033  -5.421
  441   HG21  ILE  54          HG21      ILE  54   3.583   0.577  -6.446
  442   HG22  ILE  54          HG22      ILE  54   3.665   1.170  -4.787
  443   HG23  ILE  54          HG23      ILE  54   2.173   0.447  -5.393
  444   HD11  ILE  54          HD11      ILE  54   1.241  -2.203  -4.769
  445   HD12  ILE  54          HD12      ILE  54   1.228  -2.903  -6.387
  446   HD13  ILE  54          HD13      ILE  54   1.224  -1.152  -6.186
  447    H    HIS  55           H        HIS  55   5.959  -0.307  -7.276
  448    HA   HIS  55           HA       HIS  55   7.450   2.029  -6.508
  449    HB2  HIS  55           HB2      HIS  55   8.177   0.799  -8.467
  450    HB3  HIS  55           HB3      HIS  55   6.578   0.931  -9.198
  451    HD1  HIS  55           HD1      HIS  55   6.112   2.968 -10.595
  452    HD2  HIS  55           HD2      HIS  55   9.670   3.273  -8.469
  453    HE1  HIS  55           HE1      HIS  55   7.205   5.071 -11.417
  454    HE2  HIS  55           HE2      HIS  55   9.445   5.149 -10.240
  455    HA   PRO  56           HA       PRO  56   3.973   4.834  -6.230
  456    HB2  PRO  56           HB2      PRO  56   5.996   6.774  -7.245
  457    HB3  PRO  56           HB3      PRO  56   4.932   6.889  -5.838
  458    HG2  PRO  56           HG2      PRO  56   7.520   6.356  -5.536
  459    HG3  PRO  56           HG3      PRO  56   6.300   5.559  -4.525
  460    HD2  PRO  56           HD2      PRO  56   7.847   4.477  -6.836
  461    HD3  PRO  56           HD3      PRO  56   7.321   3.667  -5.346
  462    H    GLN  57           H        GLN  57   2.592   5.935  -7.631
  463    HA   GLN  57           HA       GLN  57   1.597   6.567  -9.556
  464    HB2  GLN  57           HB2      GLN  57   4.384   6.335 -10.597
  465    HB3  GLN  57           HB3      GLN  57   3.046   6.525 -11.723
  466    HG2  GLN  57           HG2      GLN  57   3.725   8.393  -9.463
  467    HG3  GLN  57           HG3      GLN  57   4.073   8.664 -11.171
  468   HE21  GLN  57          HE21      GLN  57   1.624   8.569  -8.724
  469   HE22  GLN  57          HE22      GLN  57   0.357   9.293  -9.654
  470    H    ASN  58           H        ASN  58   2.756   3.548  -8.916
  471    HA   ASN  58           HA       ASN  58   1.713   2.206 -11.224
  472    HB2  ASN  58           HB2      ASN  58   2.737   1.381  -8.558
  473    HB3  ASN  58           HB3      ASN  58   1.615   0.277  -9.347
  474   HD21  ASN  58          HD21      ASN  58   2.280  -0.882 -11.094
  475   HD22  ASN  58          HD22      ASN  58   3.904  -0.881 -11.683
  476    HA   PRO  59           HA       PRO  59  -2.541   3.062 -10.432
  477    HB2  PRO  59           HB2      PRO  59  -3.534   0.891 -11.860
  478    HB3  PRO  59           HB3      PRO  59  -3.112   2.462 -12.546
  479    HG2  PRO  59           HG2      PRO  59  -1.514  -0.060 -12.463
  480    HG3  PRO  59           HG3      PRO  59  -1.667   1.127 -13.772
  481    HD2  PRO  59           HD2      PRO  59   0.506   1.068 -12.222
  482    HD3  PRO  59           HD3      PRO  59  -0.189   2.615 -12.753
  483    H    SER  60           H        SER  60  -1.092  -0.042  -9.797
  484    HA   SER  60           HA       SER  60  -3.219  -1.333  -8.533
  485    HB2  SER  60           HB2      SER  60  -1.087  -2.407  -9.270
  486    HB3  SER  60           HB3      SER  60  -0.274  -1.640  -7.907
  487    HG   SER  60           HG       SER  60  -2.285  -2.802  -6.811
  488    H    LEU  61           H        LEU  61  -1.002   1.113  -7.373
  489    HA   LEU  61           HA       LEU  61  -1.684   0.710  -4.599
  490    HB2  LEU  61           HB2      LEU  61   0.490   1.733  -5.738
  491    HB3  LEU  61           HB3      LEU  61  -0.414   3.223  -5.579
  492    HG   LEU  61           HG       LEU  61   1.130   2.931  -3.726
  493   HD11  LEU  61          HD11      LEU  61  -0.441   3.231  -1.870
  494   HD12  LEU  61          HD12      LEU  61  -1.753   2.660  -2.900
  495   HD13  LEU  61          HD13      LEU  61  -0.908   4.155  -3.297
  496   HD21  LEU  61          HD21      LEU  61   0.797   1.141  -2.087
  497   HD22  LEU  61          HD22      LEU  61   1.244   0.517  -3.676
  498   HD23  LEU  61          HD23      LEU  61  -0.433   0.426  -3.133
  499    H    SER  62           H        SER  62  -2.260   3.307  -6.982
  500    HA   SER  62           HA       SER  62  -3.876   4.908  -5.354
  501    HB2  SER  62           HB2      SER  62  -4.097   4.695  -8.357
  502    HB3  SER  62           HB3      SER  62  -4.403   6.110  -7.347
  503    HG   SER  62           HG       SER  62  -2.351   6.554  -7.402
  504    H    GLN  63           H        GLN  63  -4.768   2.427  -7.743
  505    HA   GLN  63           HA       GLN  63  -7.548   2.663  -7.345
  506    HB2  GLN  63           HB2      GLN  63  -5.863   0.388  -8.381
  507    HB3  GLN  63           HB3      GLN  63  -7.622   0.319  -8.307
  508    HG2  GLN  63           HG2      GLN  63  -7.711   2.339  -9.733
  509    HG3  GLN  63           HG3      GLN  63  -5.957   2.269  -9.881
  510   HE21  GLN  63          HE21      GLN  63  -5.865  -0.628  -9.995
  511   HE22  GLN  63          HE22      GLN  63  -6.454  -1.071 -11.556
  512    H    TRP  64           H        TRP  64  -5.033   0.907  -5.649
  513    HA   TRP  64           HA       TRP  64  -6.762  -0.734  -4.140
  514    HB2  TRP  64           HB2      TRP  64  -4.394  -1.278  -4.260
  515    HB3  TRP  64           HB3      TRP  64  -3.981   0.241  -3.464
  516    HD1  TRP  64           HD1      TRP  64  -3.153  -0.380  -1.116
  517    HE1  TRP  64           HE1      TRP  64  -4.028  -1.846   0.809
  518    HE3  TRP  64           HE3      TRP  64  -7.166  -2.492  -3.463
  519    HZ2  TRP  64           HZ2      TRP  64  -6.152  -3.650   1.268
  520    HZ3  TRP  64           HZ3      TRP  64  -8.568  -4.062  -2.219
  521    HH2  TRP  64           HH2      TRP  64  -8.073  -4.635   0.098
  522    H    PHE  65           H        PHE  65  -5.611   2.542  -3.723
  523    HA   PHE  65           HA       PHE  65  -6.420   3.078  -1.139
  524    HB2  PHE  65           HB2      PHE  65  -6.105   4.643  -3.616
  525    HB3  PHE  65           HB3      PHE  65  -7.195   5.352  -2.438
  526    HD1  PHE  65           HD2      PHE  65  -3.949   3.535  -2.110
  527    HD2  PHE  65           HD1      PHE  65  -6.168   7.102  -1.401
  528    HE1  PHE  65           HE2      PHE  65  -2.018   4.501  -0.927
  529    HE2  PHE  65           HE1      PHE  65  -4.244   8.062  -0.215
  530    HZ   PHE  65           HZ       PHE  65  -2.163   6.770   0.021
  531    H    GLU  66           H        GLU  66  -8.409   3.331  -4.108
  532    HA   GLU  66           HA       GLU  66 -10.768   3.798  -2.527
  533    HB2  GLU  66           HB2      GLU  66 -10.499   3.293  -5.496
  534    HB3  GLU  66           HB3      GLU  66 -11.971   3.804  -4.681
  535    HG2  GLU  66           HG2      GLU  66 -10.790   5.864  -3.933
  536    HG3  GLU  66           HG3      GLU  66  -9.396   5.351  -4.882
  537    H    HIS  67           H        HIS  67  -9.291   1.040  -4.111
  538    HA   HIS  67           HA       HIS  67 -11.492  -0.722  -3.985
  539    HB2  HIS  67           HB2      HIS  67  -8.528  -1.152  -4.136
  540    HB3  HIS  67           HB3      HIS  67  -9.593  -2.519  -3.857
  541    HD1  HIS  67           HD1      HIS  67  -9.211  -3.671  -6.093
  542    HD2  HIS  67           HD2      HIS  67 -10.459   0.283  -6.474
  543    HE1  HIS  67           HE1      HIS  67  -9.653  -3.326  -8.545
  544    HE2  HIS  67           HE2      HIS  67 -10.258  -0.890  -8.773
  545    H    GLN  68           H        GLN  68  -8.878  -0.072  -1.651
  546    HA   GLN  68           HA       GLN  68  -9.701  -2.039   0.221
  547    HB2  GLN  68           HB2      GLN  68  -8.245  -0.913   1.817
  548    HB3  GLN  68           HB3      GLN  68  -7.445  -1.068   0.261
  549    HG2  GLN  68           HG2      GLN  68  -7.779   1.234  -0.229
  550    HG3  GLN  68           HG3      GLN  68  -8.839   1.437   1.163
  551   HE21  GLN  68          HE21      GLN  68  -5.931  -0.458   1.354
  552   HE22  GLN  68          HE22      GLN  68  -5.050   0.646   2.344
  553    H    GLU  69           H        GLU  69 -10.606   1.270  -0.366
  554    HA   GLU  69           HA       GLU  69 -11.934   1.913   1.983
  555    HB2  GLU  69           HB2      GLU  69 -11.561   3.471   0.094
  556    HB3  GLU  69           HB3      GLU  69 -12.782   2.612  -0.836
  557    HG2  GLU  69           HG2      GLU  69 -14.306   3.158   1.209
  558    HG3  GLU  69           HG3      GLU  69 -13.104   4.412   1.512
  559    H    ARG  70           H        ARG  70 -12.976  -0.065  -0.730
  560    HA   ARG  70           HA       ARG  70 -15.428  -0.707   0.766
  561    HB2  ARG  70           HB2      ARG  70 -16.369  -1.396  -1.454
  562    HB3  ARG  70           HB3      ARG  70 -16.045   0.324  -1.280
  563    HG2  ARG  70           HG2      ARG  70 -14.002   0.090  -2.571
  564    HG3  ARG  70           HG3      ARG  70 -14.273  -1.650  -2.704
  565    HD2  ARG  70           HD2      ARG  70 -16.313  -1.274  -3.937
  566    HD3  ARG  70           HD3      ARG  70 -16.155   0.468  -3.728
  567    HE   ARG  70           HE       ARG  70 -13.873  -0.129  -4.984
  568   HH11  ARG  70          HH11      ARG  70 -17.176  -1.088  -5.657
  569   HH12  ARG  70          HH12      ARG  70 -16.944  -1.137  -7.376
  570   HH21  ARG  70          HH21      ARG  70 -13.574  -0.185  -7.245
  571   HH22  ARG  70          HH22      ARG  70 -14.897  -0.639  -8.278
  572    H    LYS  71           H        LYS  71 -12.951  -2.019   1.328
  573    HA   LYS  71           HA       LYS  71 -13.722  -4.756   0.633
  574    HB2  LYS  71           HB2      LYS  71 -11.834  -3.573  -0.874
  575    HB3  LYS  71           HB3      LYS  71 -10.822  -4.149   0.442
  576    HG2  LYS  71           HG2      LYS  71 -11.511  -6.421   0.046
  577    HG3  LYS  71           HG3      LYS  71 -12.672  -5.892  -1.174
  578    HD2  LYS  71           HD2      LYS  71  -9.701  -5.431  -1.354
  579    HD3  LYS  71           HD3      LYS  71 -10.535  -6.791  -2.101
  580    HE2  LYS  71           HE2      LYS  71 -11.362  -3.955  -2.648
  581    HE3  LYS  71           HE3      LYS  71 -10.052  -4.723  -3.547
  582    HZ1  LYS  71           HZ1      LYS  71 -12.766  -5.901  -3.329
  583    HZ2  LYS  71           HZ2      LYS  71 -11.513  -6.353  -4.384
  584    HZ3  LYS  71           HZ3      LYS  71 -12.301  -4.867  -4.588
  585    H    LEU  72           H        LEU  72 -11.260  -5.884   1.716
  586    HA   LEU  72           HA       LEU  72 -10.451  -6.681   3.651
  587    HB2  LEU  72           HB2      LEU  72 -10.920  -3.821   4.448
  588    HB3  LEU  72           HB3      LEU  72 -10.216  -4.989   5.547
  589    HG   LEU  72           HG       LEU  72  -8.327  -5.310   4.006
  590   HD11  LEU  72          HD11      LEU  72  -9.471  -4.812   1.899
  591   HD12  LEU  72          HD12      LEU  72  -8.017  -3.834   2.100
  592   HD13  LEU  72          HD13      LEU  72  -9.605  -3.120   2.376
  593   HD21  LEU  72          HD21      LEU  72  -8.881  -2.431   4.669
  594   HD22  LEU  72          HD22      LEU  72  -7.297  -3.132   4.329
  595   HD23  LEU  72          HD23      LEU  72  -8.198  -3.634   5.764
  596    H    HIS  73           H        HIS  73 -12.556  -4.465   5.351
  597    HA   HIS  73           HA       HIS  73 -14.468  -6.550   6.013
  598    HB2  HIS  73           HB2      HIS  73 -12.478  -6.759   7.591
  599    HB3  HIS  73           HB3      HIS  73 -12.892  -5.166   8.202
  600    HD1  HIS  73           HD1      HIS  73 -13.666  -8.724   8.593
  601    HD2  HIS  73           HD2      HIS  73 -15.433  -5.097   9.610
  602    HE1  HIS  73           HE1      HIS  73 -15.414  -9.272  10.317
  603    HE2  HIS  73           HE2      HIS  73 -16.619  -7.100  10.728
  604    H    GLY  74           H        GLY  74 -13.976  -3.641   4.928
  605    HA2  GLY  74           HA2      GLY  74 -15.297  -1.736   4.876
  606    HA3  GLY  74           HA3      GLY  74 -16.283  -2.411   6.172
  607    H    THR  75           H        THR  75 -12.862  -2.341   6.454
  608    HA   THR  75           HA       THR  75 -12.949  -0.520   8.672
  609    HB   THR  75           HB       THR  75 -10.399  -0.916   8.544
  610    HG1  THR  75           HG1      THR  75 -10.129  -1.776   6.533
  611   HG21  THR  75          HG21      THR  75 -11.817  -1.988  10.213
  612   HG22  THR  75          HG22      THR  75 -10.608  -3.124   9.617
  613   HG23  THR  75          HG23      THR  75 -12.273  -3.234   9.048
  614    H    LEU  76           H        LEU  76 -10.851   0.998   8.562
  615    HA   LEU  76           HA       LEU  76  -9.833   2.820   7.684
  616    HB2  LEU  76           HB2      LEU  76 -10.812   1.571   5.132
  617    HB3  LEU  76           HB3      LEU  76 -10.023   3.137   5.138
  618    HG   LEU  76           HG       LEU  76  -8.642   0.870   6.484
  619   HD11  LEU  76          HD11      LEU  76  -9.389  -0.082   4.360
  620   HD12  LEU  76          HD12      LEU  76  -7.644   0.181   4.369
  621   HD13  LEU  76          HD13      LEU  76  -8.700   1.297   3.500
  622   HD21  LEU  76          HD21      LEU  76  -7.624   3.114   4.753
  623   HD22  LEU  76          HD22      LEU  76  -6.692   2.086   5.845
  624   HD23  LEU  76          HD23      LEU  76  -7.851   3.253   6.498
  625    HA   PRO  77           HA       PRO  77 -13.048   5.767   7.637
  626    HB2  PRO  77           HB2      PRO  77 -11.835   7.987   6.840
  627    HB3  PRO  77           HB3      PRO  77 -11.254   7.108   8.267
  628    HG2  PRO  77           HG2      PRO  77 -10.185   7.025   5.467
  629    HG3  PRO  77           HG3      PRO  77  -9.301   7.261   6.988
  630    HD2  PRO  77           HD2      PRO  77  -9.548   4.833   5.749
  631    HD3  PRO  77           HD3      PRO  77  -9.339   5.023   7.502
  632    H    LYS  78           H        LYS  78 -14.746   5.516   6.294
  633    HA   LYS  78           HA       LYS  78 -14.397   5.246   3.475
  634    HB2  LYS  78           HB2      LYS  78 -16.897   5.444   5.149
  635    HB3  LYS  78           HB3      LYS  78 -16.893   5.138   3.416
  636    HG2  LYS  78           HG2      LYS  78 -15.516   3.118   3.831
  637    HG3  LYS  78           HG3      LYS  78 -15.699   3.399   5.562
  638    HD2  LYS  78           HD2      LYS  78 -17.348   1.825   5.066
  639    HD3  LYS  78           HD3      LYS  78 -18.222   3.355   5.100
  640    HE2  LYS  78           HE2      LYS  78 -17.166   2.114   2.565
  641    HE3  LYS  78           HE3      LYS  78 -18.783   1.796   3.189
  642    HZ1  LYS  78           HZ1      LYS  78 -17.693   4.420   2.312
  643    HZ2  LYS  78           HZ2      LYS  78 -19.191   4.221   3.081
  644    HZ3  LYS  78           HZ3      LYS  78 -18.918   3.516   1.567
  645    H    LEU  79           H        LEU  79 -13.494   7.079   2.756
  646    HA   LEU  79           HA       LEU  79 -15.183   9.500   2.625
  647    HB2  LEU  79           HB2      LEU  79 -12.203   9.580   2.379
  648    HB3  LEU  79           HB3      LEU  79 -13.300  10.857   2.860
  649    HG   LEU  79           HG       LEU  79 -12.612   8.484   4.591
  650   HD11  LEU  79          HD11      LEU  79 -10.641   9.857   4.157
  651   HD12  LEU  79          HD12      LEU  79 -11.184  10.018   5.828
  652   HD13  LEU  79          HD13      LEU  79 -11.527  11.296   4.662
  653   HD21  LEU  79          HD21      LEU  79 -14.016  11.083   5.190
  654   HD22  LEU  79          HD22      LEU  79 -13.587   9.847   6.372
  655   HD23  LEU  79          HD23      LEU  79 -14.761   9.488   5.106
  656    H    ASN  80           H        ASN  80 -12.983  10.517   0.919
  657    HA   ASN  80           HA       ASN  80 -12.992   8.600  -1.293
  658    HB2  ASN  80           HB2      ASN  80 -12.444  10.688  -2.734
  659    HB3  ASN  80           HB3      ASN  80 -14.126  10.339  -2.346
  660   HD21  ASN  80          HD21      ASN  80 -11.724  11.823  -0.193
  661   HD22  ASN  80          HD22      ASN  80 -12.538  13.349  -0.081
  662    H    PHE  81           H        PHE  81 -11.020   7.886  -1.775
  663    HA   PHE  81           HA       PHE  81  -8.772   9.614  -1.676
  664    HB2  PHE  81           HB2      PHE  81  -7.445   8.177  -0.073
  665    HB3  PHE  81           HB3      PHE  81  -8.676   9.198   0.646
  666    HD1  PHE  81           HD1      PHE  81 -10.914   8.096   1.238
  667    HD2  PHE  81           HD2      PHE  81  -7.363   5.912   0.386
  668    HE1  PHE  81           HE1      PHE  81 -11.825   6.161   2.443
  669    HE2  PHE  81           HE2      PHE  81  -8.273   3.964   1.588
  670    HZ   PHE  81           HZ       PHE  81 -10.507   4.088   2.615
  671    H    GLY  82           H        GLY  82  -8.464   9.111  -3.767
  672    HA2  GLY  82           HA2      GLY  82  -7.656   6.377  -4.414
  673    HA3  GLY  82           HA3      GLY  82  -7.764   7.731  -5.543
  674    H    MET  83           H        MET  83  -6.404   9.609  -3.951
  675    HA   MET  83           HA       MET  83  -3.969   8.469  -2.940
  676    HB2  MET  83           HB2      MET  83  -3.963  10.026  -5.483
  677    HB3  MET  83           HB3      MET  83  -2.657  10.286  -4.336
  678    HG2  MET  83           HG2      MET  83  -2.548   7.666  -4.363
  679    HG3  MET  83           HG3      MET  83  -3.325   7.875  -5.927
  680    HE1  MET  83           HE1      MET  83   0.710   9.772  -4.793
  681    HE2  MET  83           HE2      MET  83  -0.271   8.793  -3.699
  682    HE3  MET  83           HE3      MET  83  -0.851  10.372  -4.229
  683    H    LEU  84           H        LEU  84  -4.670   9.312  -1.035
  684    HA   LEU  84           HA       LEU  84  -4.597  10.790   0.670
  685    HB2  LEU  84           HB2      LEU  84  -2.965  12.338  -1.322
  686    HB3  LEU  84           HB3      LEU  84  -3.192  12.845   0.342
  687    HG   LEU  84           HG       LEU  84  -1.742  10.427  -0.682
  688   HD11  LEU  84          HD11      LEU  84  -0.442  12.438  -0.577
  689   HD12  LEU  84          HD12      LEU  84   0.046  11.380   0.748
  690   HD13  LEU  84          HD13      LEU  84  -1.003  12.765   1.063
  691   HD21  LEU  84          HD21      LEU  84  -1.520   9.720   1.658
  692   HD22  LEU  84          HD22      LEU  84  -3.202   9.698   1.114
  693   HD23  LEU  84          HD23      LEU  84  -2.624  11.012   2.140
  694    H    ARG  85           H        ARG  85  -6.787  10.990  -1.341
  695    HA   ARG  85           HA       ARG  85  -7.548  13.672  -1.566
  696    HB2  ARG  85           HB2      ARG  85  -9.353  11.263  -1.337
  697    HB3  ARG  85           HB3      ARG  85  -9.730  12.806  -2.076
  698    HG2  ARG  85           HG2      ARG  85  -7.921  12.329  -3.752
  699    HG3  ARG  85           HG3      ARG  85  -7.849  10.697  -3.069
  700    HD2  ARG  85           HD2      ARG  85 -10.309  10.504  -3.535
  701    HD3  ARG  85           HD3      ARG  85 -10.203  12.029  -4.412
  702    HE   ARG  85           HE       ARG  85  -8.390  10.703  -5.738
  703   HH11  ARG  85          HH11      ARG  85 -11.432   9.488  -4.497
  704   HH12  ARG  85          HH12      ARG  85 -11.587   8.240  -5.695
  705   HH21  ARG  85          HH21      ARG  85  -8.571   9.043  -7.324
  706   HH22  ARG  85          HH22      ARG  85  -9.957   7.987  -7.299
  707    H    LYS  86           H        LYS  86  -7.384  14.824   0.226
  708    HA   LYS  86           HA       LYS  86  -8.631  15.934   1.888
  709    HB2  LYS  86           HB2      LYS  86  -9.596  13.179   2.659
  710    HB3  LYS  86           HB3      LYS  86  -9.845  14.601   3.660
  711    HG2  LYS  86           HG2      LYS  86 -10.812  14.372   0.818
  712    HG3  LYS  86           HG3      LYS  86 -11.787  13.961   2.228
  713    HD2  LYS  86           HD2      LYS  86 -10.537  16.667   1.750
  714    HD3  LYS  86           HD3      LYS  86 -12.201  16.252   1.345
  715    HE2  LYS  86           HE2      LYS  86 -11.020  16.074   4.114
  716    HE3  LYS  86           HE3      LYS  86 -11.965  17.436   3.518
  717    HZ1  LYS  86           HZ1      LYS  86 -13.281  15.845   4.828
  718    HZ2  LYS  86           HZ2      LYS  86 -12.957  14.640   3.684
  719    HZ3  LYS  86           HZ3      LYS  86 -13.860  16.005   3.243
  720    H    MET  87           H        MET  87  -6.301  13.596   1.836
  721    HA   MET  87           HA       MET  87  -5.230  14.453   4.437
  722    HB2  MET  87           HB2      MET  87  -4.558  12.159   2.609
  723    HB3  MET  87           HB3      MET  87  -3.427  12.687   3.844
  724    HG2  MET  87           HG2      MET  87  -4.662  10.856   4.719
  725    HG3  MET  87           HG3      MET  87  -5.202  12.314   5.546
  726    HE1  MET  87           HE1      MET  87  -7.613  10.028   2.341
  727    HE2  MET  87           HE2      MET  87  -6.087   9.472   3.030
  728    HE3  MET  87           HE3      MET  87  -6.114  10.879   1.967
  729    H    GLY  88           H        GLY  88  -4.935  14.830   1.054
  730    HA2  GLY  88           HA2      GLY  88  -2.835  16.823   1.468
  731    HA3  GLY  88           HA3      GLY  88  -2.562  15.563   0.268