*HEADER    CYTOKINE                                29-NOV-00   1GA3              
*TITLE     NMR STRUCTURE OF INTERLEUKIN-13                                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: INTERLEUKIN-13;                                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: INTERLEUKIN-13 (RESIDUES 21-132);                          
*COMPND   5 SYNONYM: IL-13;                                                      
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 GENE: IL13;                                                          
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21/DE3;                                  
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PMAL-IL-13                                
*KEYWDS    INTERLEUKIN-13,IL-13,IL13,CYTOKINE                                    
*EXPDTA    NMR                                                                   
*AUTHOR    E.Z.EISENMESSER, D.A.HORITA, A.S.ALTIERI, R.A.BYRD                    
*REVDAT   1   04-JUL-01 1GA3    0                                                
assign (resid   6 and name c)  (resid   7 and name n)
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assign (resid   7 and name n) (resid   7 and name ca)
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assign (resid   7 and name c)  (resid   8 and name n)
       (resid   8 and name ca) (resid   8 and name c)  1.0  -61.27  4.47 2
assign (resid   8 and name n) (resid   8 and name ca)
       (resid   8 and name c)  (resid   9 and name n)  1.0  -42.68  6.13 2
assign (resid   8 and name c)  (resid   9 and name n)
       (resid   9 and name ca) (resid   9 and name c)  1.0  -62.17  5.85 2
assign (resid   9 and name n) (resid   9 and name ca)
       (resid   9 and name c)  (resid  10 and name n)  1.0  -39.13  6.82 2
assign (resid   9 and name c)  (resid  10 and name n)
       (resid  10 and name ca) (resid  10 and name c)  1.0  -63.53  3.95 2
assign (resid  10 and name n) (resid  10 and name ca)
       (resid  10 and name c)  (resid  11 and name n)  1.0  -42.24  5.79 2
assign (resid  10 and name c)  (resid  11 and name n)
       (resid  11 and name ca) (resid  11 and name c)  1.0  -64.00  7.00 2
assign (resid  11 and name n) (resid  11 and name ca)
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assign (resid  11 and name c)  (resid  12 and name n)
       (resid  12 and name ca) (resid  12 and name c)  1.0  -64.00  7.00 2
assign (resid  12 and name n) (resid  12 and name ca)
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assign (resid  12 and name c)  (resid  13 and name n)
       (resid  13 and name ca) (resid  13 and name c)  1.0  -63.68  3.09 2
assign (resid  13 and name n) (resid  13 and name ca)
       (resid  13 and name c)  (resid  14 and name n)  1.0  -40.27  7.79 2
assign (resid  13 and name c)  (resid  14 and name n)
       (resid  14 and name ca) (resid  14 and name c)  1.0  -62.91  4.82 2
assign (resid  14 and name n) (resid  14 and name ca)
       (resid  14 and name c)  (resid  15 and name n)  1.0  -44.77  7.39 2
assign (resid  14 and name c)  (resid  15 and name n)
       (resid  15 and name ca) (resid  15 and name c)  1.0  -60.18  7.73 2
assign (resid  15 and name n) (resid  15 and name ca)
       (resid  15 and name c)  (resid  16 and name n)  1.0  -42.74  8.35 2
assign (resid  15 and name c)  (resid  16 and name n)
       (resid  16 and name ca) (resid  16 and name c)  1.0  -62.13  5.43 2
assign (resid  16 and name n) (resid  16 and name ca)
       (resid  16 and name c)  (resid  17 and name n)  1.0  -42.55  6.98 2
assign (resid  16 and name c)  (resid  17 and name n)
       (resid  17 and name ca) (resid  17 and name c)  1.0  -66.47  5.60 2
assign (resid  17 and name n) (resid  17 and name ca)
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assign (resid  17 and name c)  (resid  18 and name n)
       (resid  18 and name ca) (resid  18 and name c)  1.0  -64.62  4.91 2
assign (resid  18 and name n) (resid  18 and name ca)
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assign (resid  18 and name c)  (resid  19 and name n)
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assign (resid  19 and name n) (resid  19 and name ca)
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assign (resid  19 and name c)  (resid  20 and name n)
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assign (resid  20 and name n) (resid  20 and name ca)
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assign (resid  20 and name c)  (resid  21 and name n)
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assign (resid  21 and name n) (resid  21 and name ca)
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assign (resid  33 and name c)  (resid  34 and name n)
       (resid  34 and name ca) (resid  34 and name c)  1.0 -128.00 21.00 2
assign (resid  34 and name n) (resid  34 and name ca)
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assign (resid  42 and name c)  (resid  43 and name n)
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assign (resid  43 and name n) (resid  43 and name ca)
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assign (resid  43 and name c)  (resid  44 and name n)
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assign (resid  44 and name n) (resid  44 and name ca)
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assign (resid  44 and name c)  (resid  45 and name n)
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assign (resid  45 and name n) (resid  45 and name ca)
       (resid  45 and name c)  (resid  46 and name n)  1.0  -35.00  7.77 2
assign (resid  45 and name c)  (resid  46 and name n)
       (resid  46 and name ca) (resid  46 and name c)  1.0  -71.75 11.30 2
assign (resid  46 and name n) (resid  46 and name ca)
       (resid  46 and name c)  (resid  47 and name n)  1.0  -31.66 16.76 2
assign (resid  46 and name c)  (resid  47 and name n)
       (resid  47 and name ca) (resid  47 and name c)  1.0  -65.53  9.74 2
assign (resid  47 and name n) (resid  47 and name ca)
       (resid  47 and name c)  (resid  48 and name n)  1.0  -38.89 11.16 2
assign (resid  47 and name c)  (resid  48 and name n)
       (resid  48 and name ca) (resid  48 and name c)  1.0  -61.71  3.62 2
assign (resid  48 and name n) (resid  48 and name ca)
       (resid  48 and name c)  (resid  49 and name n)  1.0  -40.88  5.83 2
assign (resid  48 and name c)  (resid  49 and name n)
       (resid  49 and name ca) (resid  49 and name c)  1.0  -64.06  7.21 2
assign (resid  49 and name n) (resid  49 and name ca)
       (resid  49 and name c)  (resid  50 and name n)  1.0  -44.19  7.71 2
assign (resid  49 and name c)  (resid  50 and name n)
       (resid  50 and name ca) (resid  50 and name c)  1.0  -65.26 11.48 2
assign (resid  50 and name n) (resid  50 and name ca)
       (resid  50 and name c)  (resid  51 and name n)  1.0  -36.78 10.02 2
assign (resid  50 and name c)  (resid  51 and name n)
       (resid  51 and name ca) (resid  51 and name c)  1.0  -61.33  8.11 2
assign (resid  51 and name n) (resid  51 and name ca)
       (resid  51 and name c)  (resid  52 and name n)  1.0  -29.64 10.17 2
assign (resid  51 and name c)  (resid  52 and name n)
       (resid  52 and name ca) (resid  52 and name c)  1.0  -80.18 14.04 2
assign (resid  52 and name n) (resid  52 and name ca)
       (resid  52 and name c)  (resid  53 and name n)  1.0  -30.91 19.17 2
assign (resid  53 and name c)  (resid  54 and name n)
       (resid  54 and name ca) (resid  54 and name c)  1.0  -92.00 26.00 2
assign (resid  54 and name n) (resid  54 and name ca)
       (resid  54 and name c)  (resid  55 and name n)  1.0  120.00 20.00 2
assign (resid  58 and name c)  (resid  59 and name n)
       (resid  59 and name ca) (resid  59 and name c)  1.0  -71.00  8.00 2
assign (resid  59 and name n) (resid  59 and name ca)
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assign (resid  61 and name c)  (resid  62 and name n)
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assign (resid  62 and name n) (resid  62 and name ca)
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assign (resid  62 and name c)  (resid  63 and name n)
       (resid  63 and name ca) (resid  63 and name c)  1.0  -64.36  5.90 2
assign (resid  63 and name n) (resid  63 and name ca)
       (resid  63 and name c)  (resid  64 and name n)  1.0  -45.31  5.95 2
assign (resid  63 and name c)  (resid  64 and name n)
       (resid  64 and name ca) (resid  64 and name c)  1.0  -65.40  5.51 2
assign (resid  64 and name n) (resid  64 and name ca)
       (resid  64 and name c)  (resid  65 and name n)  1.0  -38.46  9.29 2
assign (resid  64 and name c)  (resid  65 and name n)
       (resid  65 and name ca) (resid  65 and name c)  1.0  -65.12  4.51 2
assign (resid  65 and name n) (resid  65 and name ca)
       (resid  65 and name c)  (resid  66 and name n)  1.0  -40.44  8.55 2
assign (resid  65 and name c)  (resid  66 and name n)
       (resid  66 and name ca) (resid  66 and name c)  1.0  -64.77  5.33 2
assign (resid  66 and name n) (resid  66 and name ca)
       (resid  66 and name c)  (resid  67 and name n)  1.0  -44.27  6.54 2
assign (resid  66 and name c)  (resid  67 and name n)
       (resid  67 and name ca) (resid  67 and name c)  1.0  -62.86  3.87 2
assign (resid  67 and name n) (resid  67 and name ca)
       (resid  67 and name c)  (resid  68 and name n)  1.0  -43.25  6.14 2
assign (resid  67 and name c)  (resid  68 and name n)
       (resid  68 and name ca) (resid  68 and name c)  1.0  -67.17  8.96 2
assign (resid  68 and name n) (resid  68 and name ca)
       (resid  68 and name c)  (resid  69 and name n)  1.0  -39.64  8.76 2
assign (resid  74 and name c)  (resid  75 and name n)
       (resid  75 and name ca) (resid  75 and name c)  1.0 -110.00 14.00 2
assign (resid  75 and name n) (resid  75 and name ca)
       (resid  75 and name c)  (resid  76 and name n)  1.0  136.00 13.00 2
assign (resid  75 and name c)  (resid  76 and name n)
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assign (resid  76 and name n) (resid  76 and name ca)
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assign (resid  87 and name c)  (resid  88 and name n)
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assign (resid  88 and name n) (resid  88 and name ca)
       (resid  88 and name c)  (resid  89 and name n)  1.0  129.00 24.00 2
assign (resid  88 and name c)  (resid  89 and name n)
       (resid  89 and name ca) (resid  89 and name c)  1.0 -101.00 19.00 2
assign (resid  89 and name n) (resid  89 and name ca)
       (resid  89 and name c)  (resid  90 and name n)  1.0  142.00 21.00 2
assign (resid  89 and name c)  (resid  90 and name n)
       (resid  90 and name ca) (resid  90 and name c)  1.0 -135.00  9.00 2
assign (resid  90 and name n) (resid  90 and name ca)
       (resid  90 and name c)  (resid  91 and name n)  1.0  158.00  7.00 2
assign (resid  90 and name c)  (resid  91 and name n)
       (resid  91 and name ca) (resid  91 and name c)  1.0  -89.13 24.25 2
assign (resid  91 and name n) (resid  91 and name ca)
       (resid  91 and name c)  (resid  92 and name n)  1.0  136.97 32.12 2
assign (resid  91 and name c)  (resid  92 and name n)
       (resid  92 and name ca) (resid  92 and name c)  1.0  -60.74  3.93 2
assign (resid  92 and name n) (resid  92 and name ca)
       (resid  92 and name c)  (resid  93 and name n)  1.0  -44.65  6.73 2
assign (resid  92 and name c)  (resid  93 and name n)
       (resid  93 and name ca) (resid  93 and name c)  1.0  -59.21  6.42 2
assign (resid  93 and name n) (resid  93 and name ca)
       (resid  93 and name c)  (resid  94 and name n)  1.0  -41.68  6.30 2
assign (resid  93 and name c)  (resid  94 and name n)
       (resid  94 and name ca) (resid  94 and name c)  1.0  -63.27  3.40 2
assign (resid  94 and name n) (resid  94 and name ca)
       (resid  94 and name c)  (resid  95 and name n)  1.0  -42.54  6.14 2
assign (resid  94 and name c)  (resid  95 and name n)
       (resid  95 and name ca) (resid  95 and name c)  1.0  -60.56  6.10 2
assign (resid  95 and name n) (resid  95 and name ca)
       (resid  95 and name c)  (resid  96 and name n)  1.0  -41.69  4.81 2
assign (resid  95 and name c)  (resid  96 and name n)
       (resid  96 and name ca) (resid  96 and name c)  1.0  -62.60  4.98 2
assign (resid  96 and name n) (resid  96 and name ca)
       (resid  96 and name c)  (resid  97 and name n)  1.0  -46.07  6.84 2
assign (resid  96 and name c)  (resid  97 and name n)
       (resid  97 and name ca) (resid  97 and name c)  1.0  -59.49  5.93 2
assign (resid  97 and name n) (resid  97 and name ca)
       (resid  97 and name c)  (resid  98 and name n)  1.0  -40.13  6.42 2
assign (resid  97 and name c)  (resid  98 and name n)
       (resid  98 and name ca) (resid  98 and name c)  1.0  -61.96  5.08 2
assign (resid  98 and name n) (resid  98 and name ca)
       (resid  98 and name c)  (resid  99 and name n)  1.0  -42.60  5.47 2
assign (resid  98 and name c)  (resid  99 and name n)
       (resid  99 and name ca) (resid  99 and name c)  1.0  -64.58  7.48 2
assign (resid  99 and name n) (resid  99 and name ca)
       (resid  99 and name c)  (resid 100 and name n)  1.0  -42.50  5.91 2
assign (resid  99 and name c)  (resid 100 and name n)
       (resid 100 and name ca) (resid 100 and name c)  1.0  -62.37  4.43 2
assign (resid 100 and name n) (resid 100 and name ca)
       (resid 100 and name c)  (resid 101 and name n)  1.0  -39.68  7.64 2
assign (resid 100 and name c)  (resid 101 and name n)
       (resid 101 and name ca) (resid 101 and name c)  1.0  -63.73  5.32 2
assign (resid 101 and name n) (resid 101 and name ca)
       (resid 101 and name c)  (resid 102 and name n)  1.0  -42.57  4.61 2
assign (resid 101 and name c)  (resid 102 and name n)
       (resid 102 and name ca) (resid 102 and name c)  1.0  -64.71  5.42 2
assign (resid 102 and name n) (resid 102 and name ca)
       (resid 102 and name c)  (resid 103 and name n)  1.0  -44.29  7.47 2
assign (resid 102 and name c)  (resid 103 and name n)
       (resid 103 and name ca) (resid 103 and name c)  1.0  -62.10  4.27 2
assign (resid 103 and name n) (resid 103 and name ca)
       (resid 103 and name c)  (resid 104 and name n)  1.0  -42.89  7.30 2
assign (resid 103 and name c)  (resid 104 and name n)
       (resid 104 and name ca) (resid 104 and name c)  1.0  -62.13  7.34 2
assign (resid 104 and name n) (resid 104 and name ca)
       (resid 104 and name c)  (resid 105 and name n)  1.0  -41.77  4.42 2
assign (resid 104 and name c)  (resid 105 and name n)
       (resid 105 and name ca) (resid 105 and name c)  1.0  -61.86  3.10 2
assign (resid 105 and name n) (resid 105 and name ca)
       (resid 105 and name c)  (resid 106 and name n)  1.0  -42.42  5.28 2
assign (resid 105 and name c)  (resid 106 and name n)
       (resid 106 and name ca) (resid 106 and name c)  1.0  -63.86  5.44 2
assign (resid 106 and name n) (resid 106 and name ca)
       (resid 106 and name c)  (resid 107 and name n)  1.0  -42.30  7.53 2
assign (resid 106 and name c)  (resid 107 and name n)
       (resid 107 and name ca) (resid 107 and name c)  1.0  -62.27  8.15 2
assign (resid 107 and name n) (resid 107 and name ca)
       (resid 107 and name c)  (resid 108 and name n)  1.0  -40.28  6.43 2
assign (resid 107 and name c)  (resid 108 and name n)
       (resid 108 and name ca) (resid 108 and name c)  1.0  -68.23 10.33 2
assign (resid 108 and name n) (resid 108 and name ca)
       (resid 108 and name c)  (resid 109 and name n)  1.0  -29.98 11.77 2
assign (resid 108 and name c)  (resid 109 and name n)
       (resid 109 and name ca) (resid 109 and name c)  1.0  -86.54 13.42 2
assign (resid 109 and name n) (resid 109 and name ca)
       (resid 109 and name c)  (resid 110 and name n)  1.0   -4.07 17.16 2
! From hnhb and hn(co)hb
! EZE Note: All rotameric states defined only when the value
!           in either the hnhb and/or hn(co)hb was close to or more
!           than the average.  I believe this is a conservative estimate
!           since the average didn't include all the "weak" couplings
!           that did not give rise to intensities (i.e. "small" couplings),
!           and would thus lower the average.
! Following assignments had to be switched
assign (resid  12 and name n) (resid  12 and name ca)
       (resid  12 and name cb)  (resid  12 and name cg)   1.0  -60.00 45.00 2
assign (resid  17 and name n) (resid  17 and name ca)
       (resid  17 and name cb)  (resid  17 and name cg)   1.0  -60.00 45.00 2
assign (resid  33 and name n) (resid  33 and name ca)
       (resid  33 and name cb)  (resid  33 and name cg)   1.0  -60.00 45.00 2
assign (resid  39 and name n) (resid  39 and name ca)
       (resid  39 and name cb)  (resid  39 and name cg)   1.0  -60.00 45.00 2
assign (resid  51 and name n) (resid  51 and name ca)
       (resid  51 and name cb)  (resid  51 and name cg)   1.0  -60.00 45.00 2
assign (resid  64 and name n) (resid  64 and name ca)
       (resid  64 and name cb)  (resid  64 and name cg)   1.0  -60.00 45.00 2
assign (resid  67 and name n) (resid  67 and name ca)
       (resid  67 and name cb)  (resid  67 and name cg)   1.0  -60.00 45.00 2
assign (resid  83 and name n) (resid  83 and name ca)
       (resid  83 and name cb)  (resid  83 and name cg)   1.0  -60.00 45.00 2
assign (resid  89 and name n) (resid  89 and name ca)
       (resid  89 and name cb)  (resid  89 and name cg)   1.0  -60.00 45.00 2
assign (resid  94 and name n) (resid  94 and name ca)
       (resid  94 and name cb)  (resid  94 and name cg)   1.0  180.00 45.00 2
assign (resid  98 and name n) (resid  98 and name ca)
       (resid  98 and name cb)  (resid  98 and name cg)   1.0  -60.00 45.00 2
assign (resid 103 and name n) (resid 103 and name ca)
       (resid 103 and name cb)  (resid 103 and name cg)   1.0  -60.00 45.00 2
assign (resid 112 and name n) (resid 112 and name ca)
       (resid 112 and name cb)  (resid 112 and name cg)   1.0  +60.00 45.00 2

! Following assignments did not need to be switched
assign (resid  10 and name n) (resid  10 and name ca)
       (resid  10 and name cb)  (resid  10 and name cg)   1.0  180.00 45.00 2
assign (resid  13 and name n) (resid  13 and name ca)
       (resid  13 and name cb)  (resid  13 and name cg)   1.0  180.00 45.00 2
assign (resid  16 and name n) (resid  16 and name ca)
       (resid  16 and name cb)  (resid  16 and name cg)   1.0  180.00 45.00 2
assign (resid  23 and name n) (resid  23 and name ca)
       (resid  23 and name cb)  (resid  23 and name cg)   1.0  -60.00 45.00 2
assign (resid  24 and name n) (resid  24 and name ca)
       (resid  24 and name cb)  (resid  24 and name cg)   1.0  -60.00 45.00 2
assign (resid  35 and name n) (resid  35 and name ca)
       (resid  35 and name cb)  (resid  35 and name cg)   1.0  -60.00 45.00 2
assign (resid  48 and name n) (resid  48 and name ca)
       (resid  48 and name cb)  (resid  48 and name cg)   1.0  180.00 45.00 2
assign (resid  53 and name n) (resid  53 and name ca)
       (resid  53 and name cb)  (resid  53 and name cg)   1.0  -60.00 45.00 2
assign (resid  87 and name n) (resid  87 and name ca)
       (resid  87 and name cb)  (resid  87 and name cg)   1.0  -60.00 45.00 2
assign (resid  95 and name n) (resid  95 and name ca)
       (resid  95 and name cb)  (resid  95 and name cg)   1.0  180.00 45.00 2
assign (resid  99 and name n) (resid  99 and name ca)
       (resid  99 and name cb)  (resid  99 and name cg)   1.0  180.00 45.00 2
assign (resid 100 and name n) (resid 100 and name ca)
       (resid 100 and name cb)  (resid 100 and name cg)   1.0  180.00 45.00 2
assign (resid 109 and name n) (resid 109 and name ca)
       (resid 109 and name cb)  (resid 109 and name cg)   1.0  -60.00 45.00 2
assign (resid 111 and name n) (resid 111 and name ca)
       (resid 111 and name cb)  (resid 111 and name cg)   1.0  -60.00 45.00 2

! Put in since now ya have stereo spec. ass.
! Following were Valines w/zero intensity in either hnhb & hncohb
 assign (resid  18 and name n) (resid  18 and name ca)
        (resid  18 and name cb)  (resid  18 and name cg1)  1.0  180.00 45.00 2
 assign (resid  54 and name n) (resid  54 and name ca)
        (resid  54 and name cb)  (resid  54 and name cg1)  1.0  180.00 45.00 2

! Following were Thr or Ile determined from hnhb & hncohb
assign (resid  20 and name n) (resid  20 and name ca)
       (resid  20 and name cb)  (resid  20 and name cg1)  1.0  +60.00 45.00 2
assign (resid  21 and name n) (resid  21 and name ca)
       (resid  21 and name cb)  (resid  21 and name cg2)  1.0  +60.00 45.00 2
assign (resid  52 and name n) (resid  52 and name ca)
       (resid  52 and name cb)  (resid  52 and name cg1)  1.0  180.00 45.00 2

 ASSI { 3589}
   (( segid "IL13" and resid 2    and name HA1 ))
   (( segid "IL13" and resid 3    and name HD2 ))
      3.500     3.500     0.000 peak  3589 weight  0.10000E+01 volume -0.12220E+01 ppm1      4.208 ppm2      3.656
 ASSI { 3588}
   (( segid "IL13" and resid 2    and name HA2 ))
   (( segid "IL13" and resid 3    and name HD1 ))
      3.500     3.500     0.000 peak  3588 weight  0.10000E+01 volume -0.24690E+01 ppm1      4.147 ppm2      3.656
 OR { 3588}
   (( segid "IL13" and resid 2    and name HA2 ))
   (( segid "IL13" and resid 3    and name HD2 ))
 ASSI { 4430}
   (( segid "IL13" and resid 3    and name HA  ))
   (( segid "IL13" and resid 3    and name HB1 ))
      3.500     3.500     0.000 peak  4430 weight  0.10000E+01 volume  0.16030E+01 ppm1      4.494 ppm2      2.266
 ASSI { 4431}
   (( segid "IL13" and resid 3    and name HA  ))
   (( segid "IL13" and resid 3    and name HB2 ))
      5.000     5.000     0.000 peak  4431 weight  0.10000E+01 volume  0.54500E+00 ppm1      4.496 ppm2      1.912
 ASSI { 4432}
   (( segid "IL13" and resid 3    and name HA  ))
   (( segid "IL13" and resid 3    and name HG2 ))
      5.000     5.000     0.000 peak  4432 weight  0.10000E+01 volume  0.47200E+00 ppm1      4.489 ppm2      2.028
 OR { 4432}
   (( segid "IL13" and resid 3    and name HA  ))
   (( segid "IL13" and resid 3    and name HG1 ))
 ASSI { 3591}
   (( segid "IL13" and resid 3    and name HD2 ))
   (( segid "IL13" and resid 2    and name HA2 ))
      3.500     3.500     0.000 peak  3591 weight  0.10000E+01 volume  0.26770E+01 ppm1      3.649 ppm2      4.160
 ASSI { 4267}
   (( segid "IL13" and resid 3    and name HD2 ))
   (( segid "IL13" and resid 3    and name HG2 ))
      3.500     3.500     0.000 peak  4267 weight  0.10000E+01 volume  0.31220E+01 ppm1      3.650 ppm2      2.028
 OR { 4267}
   (( segid "IL13" and resid 3    and name HD1 ))
   (( segid "IL13" and resid 3    and name HG1 ))
 ASSI { 3981}
   (( segid "IL13" and resid 4    and name HA  ))
   (  segid "IL13" and resid 4    and name HG2%)
      5.000     5.000     0.000 peak  3981 weight  0.10000E+01 volume  0.54200E+00 ppm1      4.447 ppm2      0.986
 ASSI { 3975}
   (( segid "IL13" and resid 4    and name HA  ))
   (( segid "IL13" and resid 5    and name HD1 ))
      3.500     3.500     0.000 peak  3975 weight  0.10000E+01 volume  0.31900E+01 ppm1      4.445 ppm2      3.918
 ASSI { 3976}
   (( segid "IL13" and resid 4    and name HA  ))
   (( segid "IL13" and resid 5    and name HD2 ))
      3.500     3.500     0.000 peak  3976 weight  0.10000E+01 volume  0.19070E+01 ppm1      4.445 ppm2      3.633
 ASSI { 4216}
   (( segid "IL13" and resid 4    and name HB  ))
   (  segid "IL13" and resid 4    and name HG2%)
      5.000     5.000     0.000 peak  4216 weight  0.10000E+01 volume -0.77700E+00 ppm1      2.068 ppm2      0.993
 OR { 4216}
   (( segid "IL13" and resid 4    and name HB  ))
   (  segid "IL13" and resid 4    and name HG1%)
 ASSI { 4312}
   (( segid "IL13" and resid 5    and name HA  ))
   (( segid "IL13" and resid 5    and name HB1 ))
      5.000     5.000     0.000 peak  4312 weight  0.10000E+01 volume  0.98900E+00 ppm1      4.688 ppm2      2.308
 ASSI { 4313}
   (( segid "IL13" and resid 5    and name HA  ))
   (( segid "IL13" and resid 5    and name HB2 ))
      5.000     5.000     0.000 peak  4313 weight  0.10000E+01 volume  0.64500E+00 ppm1      4.680 ppm2      1.822
 ASSI { 4298}
   (( segid "IL13" and resid 5    and name HA  ))
   (( segid "IL13" and resid 6    and name HD1 ))
      3.500     3.500     0.000 peak  4298 weight  0.10000E+01 volume  0.25840E+01 ppm1      4.681 ppm2      3.856
 ASSI { 4299}
   (( segid "IL13" and resid 5    and name HA  ))
   (( segid "IL13" and resid 6    and name HD2 ))
      3.500     3.500     0.000 peak  4299 weight  0.10000E+01 volume  0.16160E+01 ppm1      4.684 ppm2      3.701
 ASSI { 4088}
   (( segid "IL13" and resid 5    and name HB2 ))
   (( segid "IL13" and resid 5    and name HB1 ))
      3.500     3.500     0.000 peak  4088 weight  0.10000E+01 volume -0.26010E+01 ppm1      1.824 ppm2      2.313
 ASSI { 3971}
   (( segid "IL13" and resid 5    and name HD2 ))
   (  segid "IL13" and resid 4    and name HG2%)
      5.000     5.000     0.000 peak  3971 weight  0.10000E+01 volume  0.24100E+00 ppm1      3.636 ppm2      0.999
 ASSI { 3969}
   (( segid "IL13" and resid 5    and name HD2 ))
   (( segid "IL13" and resid 5    and name HD1 ))
      2.700     2.700     0.000 peak  3969 weight  0.10000E+01 volume  0.56280E+01 ppm1      3.637 ppm2      3.927
 ASSI { 4319}
   (( segid "IL13" and resid 6    and name HA  ))
   (( segid "IL13" and resid 6    and name HB1 ))
      3.500     3.500     0.000 peak  4319 weight  0.10000E+01 volume  0.17920E+01 ppm1      4.443 ppm2      2.334
 ASSI { 4317}
   (( segid "IL13" and resid 6    and name HA  ))
   (( segid "IL13" and resid 6    and name HB2 ))
      5.000     5.000     0.000 peak  4317 weight  0.10000E+01 volume  0.82100E+00 ppm1      4.441 ppm2      1.931
 ASSI { 4320}
   (( segid "IL13" and resid 6    and name HA  ))
   (( segid "IL13" and resid 6    and name HD1 ))
      5.000     5.000     0.000 peak  4320 weight  0.10000E+01 volume  0.56600E+00 ppm1      4.439 ppm2      3.844
 ASSI { 4318}
   (( segid "IL13" and resid 6    and name HA  ))
   (( segid "IL13" and resid 6    and name HG1 ))
      5.000     5.000     0.000 peak  4318 weight  0.10000E+01 volume  0.59700E+00 ppm1      4.447 ppm2      2.061
 ASSI { 4308}
   (( segid "IL13" and resid 6    and name HD1 ))
   (( segid "IL13" and resid 6    and name HB1 ))
      5.000     5.000     0.000 peak  4308 weight  0.10000E+01 volume  0.43800E+00 ppm1      3.855 ppm2      2.318
 ASSI { 4316}
   (( segid "IL13" and resid 6    and name HD2 ))
   (( segid "IL13" and resid 6    and name HB1 ))
      5.000     5.000     0.000 peak  4316 weight  0.10000E+01 volume  0.45300E+00 ppm1      3.717 ppm2      2.315
 ASSI { 4270}
   (( segid "IL13" and resid 6    and name HD1 ))
   (( segid "IL13" and resid 6    and name HG1 ))
      3.500     3.500     0.000 peak  4270 weight  0.10000E+01 volume  0.20320E+01 ppm1      3.854 ppm2      2.053
 OR { 4270}
   (( segid "IL13" and resid 6    and name HD1 ))
   (( segid "IL13" and resid 6    and name HG2 ))
 ASSI { 4275}
   (( segid "IL13" and resid 7    and name HA  ))
   (( segid "IL13" and resid 7    and name HB2 ))
      5.000     5.000     0.000 peak  4275 weight  0.10000E+01 volume  0.84000E+00 ppm1      3.965 ppm2      3.331
 ASSI { 4281}
   (( segid "IL13" and resid 7    and name HB2 ))
   (( segid "IL13" and resid 7    and name HB1 ))
      3.500     3.500     0.000 peak  4281 weight  0.10000E+01 volume  0.24510E+01 ppm1      3.331 ppm2      3.793
 ASSI { 4057}
   (( segid "IL13" and resid 8    and name HA  ))
   (( segid "IL13" and resid 8    and name HB  ))
      3.500     3.500     0.000 peak  4057 weight  0.10000E+01 volume  0.25130E+01 ppm1      3.998 ppm2      4.211
 ASSI { 3681}
   (( segid "IL13" and resid 8    and name HA  ))
   (  segid "IL13" and resid 8    and name HG2%)
      5.000     5.000     0.000 peak  3681 weight  0.10000E+01 volume  0.63200E+00 ppm1      3.998 ppm2      1.232
 ASSI { 3680}
   (( segid "IL13" and resid 8    and name HB  ))
   (  segid "IL13" and resid 8    and name HG2%)
      3.500     3.500     0.000 peak  3680 weight  0.10000E+01 volume  0.12490E+01 ppm1      4.219 ppm2      1.234
 ASSI { 4506}
   (( segid "IL13" and resid 9    and name HA  ))
   (  segid "IL13" and resid 9    and name HB% )
      3.500     3.500     0.000 peak  4506 weight  0.10000E+01 volume  0.10440E+01 ppm1      4.215 ppm2      1.369
 ASSI { 5229}
   (( segid "IL13" and resid 10   and name HA  ))
   (  segid "IL13" and resid 10   and name HD1%)
      5.000     5.000     0.000 peak  5229 weight  0.10000E+01 volume  0.55300E+00 ppm1      4.401 ppm2      1.125
 ASSI { 5391}
   (  segid "IL13" and resid 10   and name HD2%)
   (  segid "IL13" and resid 14   and name HD1%)
      5.000     5.000     0.000 peak  5391 weight  0.10000E+01 volume -0.14000E-01 ppm1      1.115 ppm2      0.602
 ASSI { 5350}
   (  segid "IL13" and resid 10   and name HD2%)
   (( segid "IL13" and resid 10   and name HB2 ))
      5.000     5.000     0.000 peak  5350 weight  0.10000E+01 volume -0.17700E+00 ppm1      1.139 ppm2      1.873
 ASSI { 3837}
   (( segid "IL13" and resid 11   and name HA  ))
   (( segid "IL13" and resid 11   and name HB2 ))
      3.500     3.500     0.000 peak  3837 weight  0.10000E+01 volume  0.15070E+01 ppm1      3.571 ppm2      1.973
 OR { 3837}
   (( segid "IL13" and resid 11   and name HA  ))
   (( segid "IL13" and resid 11   and name HB1 ))
 ASSI { 3836}
   (( segid "IL13" and resid 11   and name HA  ))
   (( segid "IL13" and resid 11   and name HG1 ))
      3.500     3.500     0.000 peak  3836 weight  0.10000E+01 volume  0.12690E+01 ppm1      3.570 ppm2      1.532
 OR { 3836}
   (( segid "IL13" and resid 11   and name HA  ))
   (( segid "IL13" and resid 11   and name HG2 ))
 ASSI { 3838}
   (( segid "IL13" and resid 11   and name HA  ))
   (( segid "IL13" and resid 14   and name HB  ))
      3.500     3.500     0.000 peak  3838 weight  0.10000E+01 volume  0.11970E+01 ppm1      3.569 ppm2      1.831
 ASSI { 3839}
   (( segid "IL13" and resid 11   and name HA  ))
   (  segid "IL13" and resid 14   and name HD1%)
      5.000     5.000     0.000 peak  3839 weight  0.10000E+01 volume  0.27000E+00 ppm1      3.569 ppm2      0.600
 ASSI { 3840}
   (( segid "IL13" and resid 11   and name HA  ))
   (  segid "IL13" and resid 14   and name HG2%)
      5.000     5.000     0.000 peak  3840 weight  0.10000E+01 volume  0.13900E+00 ppm1      3.569 ppm2      0.740
 ASSI { 3849}
   (( segid "IL13" and resid 11   and name HG1 ))
   (( segid "IL13" and resid 11   and name HB2 ))
      5.000     5.000     0.000 peak  3849 weight  0.10000E+01 volume -0.66200E+00 ppm1      1.530 ppm2      1.970
 OR { 3849}
   (( segid "IL13" and resid 11   and name HG2 ))
   (( segid "IL13" and resid 11   and name HB2 ))
 ASSI { 4278}
   (( segid "IL13" and resid 12   and name HA  ))
   (( segid "IL13" and resid 12   and name HB2 ))
      3.500     3.500     0.000 peak  4278 weight  0.10000E+01 volume  0.27180E+01 ppm1      3.974 ppm2      2.029
 ASSI { 4276}
   (( segid "IL13" and resid 12   and name HA  ))
   (( segid "IL13" and resid 12   and name HG1 ))
      5.000     5.000     0.000 peak  4276 weight  0.10000E+01 volume  0.56300E+00 ppm1      3.968 ppm2      2.575
 ASSI { 4277}
   (( segid "IL13" and resid 12   and name HA  ))
   (( segid "IL13" and resid 12   and name HG2 ))
      3.500     3.500     0.000 peak  4277 weight  0.10000E+01 volume  0.17110E+01 ppm1      3.971 ppm2      2.257
 ASSI { 4087}
   (( segid "IL13" and resid 13   and name HA  ))
   (( segid "IL13" and resid 13   and name HB1 ))
      5.000     5.000     0.000 peak  4087 weight  0.10000E+01 volume  0.90200E+00 ppm1      4.542 ppm2      2.239
 ASSI { 4085}
   (( segid "IL13" and resid 13   and name HA  ))
   (( segid "IL13" and resid 13   and name HB2 ))
      5.000     5.000     0.000 peak  4085 weight  0.10000E+01 volume  0.90800E+00 ppm1      4.552 ppm2      1.757
 ASSI { 1236}
   (( segid "IL13" and resid 13   and name HA  ))
   (  segid "IL13" and resid 13   and name HD2%)
      5.000     5.000     0.000 peak  1236 weight  0.10000E+01 volume  0.16400E+00 ppm1      4.551 ppm2      0.812
 ASSI { 6090}
   (( segid "IL13" and resid 13   and name HA  ))
   (( segid "IL13" and resid 13   and name HG  ))
      5.000     5.000     0.000 peak  6090 weight  0.10000E+01 volume  0.33800E+00 ppm1      4.542 ppm2      1.527
 ASSI { 4082}
   (( segid "IL13" and resid 13   and name HA  ))
   (  segid "IL13" and resid 66   and name HE% )
      5.000     5.000     0.000 peak  4082 weight  0.10000E+01 volume  0.32500E+00 ppm1      4.546 ppm2      2.108
 ASSI { 4091}
   (( segid "IL13" and resid 13   and name HB2 ))
   (( segid "IL13" and resid 13   and name HB1 ))
      3.500     3.500     0.000 peak  4091 weight  0.10000E+01 volume -0.18790E+01 ppm1      1.763 ppm2      2.239
 ASSI { 4101}
   (  segid "IL13" and resid 13   and name HD1%)
   (( segid "IL13" and resid 13   and name HB1 ))
      3.500     3.500     0.000 peak  4101 weight  0.10000E+01 volume -0.19170E+01 ppm1      1.066 ppm2      2.215
 ASSI { 4108}
   (  segid "IL13" and resid 13   and name HD1%)
   (( segid "IL13" and resid 13   and name HB2 ))
      5.000     5.000     0.000 peak  4108 weight  0.10000E+01 volume -0.39500E+00 ppm1      1.066 ppm2      1.751
 ASSI { 4107}
   (  segid "IL13" and resid 13   and name HD1%)
   (( segid "IL13" and resid 13   and name HG  ))
      5.000     5.000     0.000 peak  4107 weight  0.10000E+01 volume -0.76800E+00 ppm1      1.066 ppm2      1.531
 ASSI { 4093}
   (  segid "IL13" and resid 13   and name HD2%)
   (( segid "IL13" and resid 13   and name HB2 ))
      5.000     5.000     0.000 peak  4093 weight  0.10000E+01 volume -0.36400E+00 ppm1      0.809 ppm2      1.751
 ASSI { 4094}
   (  segid "IL13" and resid 13   and name HD2%)
   (  segid "IL13" and resid 13   and name HD1%)
      5.000     5.000     0.000 peak  4094 weight  0.10000E+01 volume -0.43800E+00 ppm1      0.809 ppm2      1.066
 ASSI { 4095}
   (  segid "IL13" and resid 13   and name HD2%)
   (( segid "IL13" and resid 13   and name HG  ))
      5.000     5.000     0.000 peak  4095 weight  0.10000E+01 volume -0.76900E+00 ppm1      0.809 ppm2      1.531
 ASSI { 6081}
   (  segid "IL13" and resid 13   and name HD2%)
   (  segid "IL13" and resid 44   and name HD% )
      5.000     5.000     0.000 peak  6081 weight  0.10000E+01 volume -0.45000E-01 ppm1      0.809 ppm2      6.906
 ASSI { 6093}
   (  segid "IL13" and resid 13   and name HD2%)
   (  segid "IL13" and resid 44   and name HE% )
      5.000     5.000     0.000 peak  6093 weight  0.10000E+01 volume -0.12400E+00 ppm1      0.809 ppm2      6.466
 ASSI { 3718}
   (( segid "IL13" and resid 14   and name HA  ))
   (( segid "IL13" and resid 14   and name HB  ))
      3.500     3.500     0.000 peak  3718 weight  0.10000E+01 volume  0.10350E+01 ppm1      3.374 ppm2      1.814
 ASSI { 3715}
   (( segid "IL13" and resid 14   and name HA  ))
   (  segid "IL13" and resid 14   and name HG2%)
      5.000     5.000     0.000 peak  3715 weight  0.10000E+01 volume  0.75100E+00 ppm1      3.373 ppm2      0.740
 ASSI { 3830}
   (( segid "IL13" and resid 14   and name HB  ))
   (( segid "IL13" and resid 14   and name HG12))
      3.500     3.500     0.000 peak  3830 weight  0.10000E+01 volume -0.18780E+01 ppm1      1.836 ppm2      0.724
 ASSI {  469}
   (  segid "IL13" and resid 14   and name HD1%)
   (( segid "IL13" and resid 14   and name HA  ))
      5.000     5.000     0.000 peak   469 weight  0.10000E+01 volume  0.91000E-01 ppm1      0.609 ppm2      3.362
 ASSI { 3741}
   (  segid "IL13" and resid 14   and name HD1%)
   (( segid "IL13" and resid 14   and name HB  ))
      3.500     3.500     0.000 peak  3741 weight  0.10000E+01 volume  0.10860E+01 ppm1      0.604 ppm2      1.814
 ASSI { 3841}
   (  segid "IL13" and resid 14   and name HD1%)
   (( segid "IL13" and resid 104  and name HA  ))
      5.000     5.000     0.000 peak  3841 weight  0.10000E+01 volume  0.32500E+00 ppm1      0.603 ppm2      3.954
 ASSI { 3843}
   (  segid "IL13" and resid 14   and name HD1%)
   (( segid "IL13" and resid 107  and name HB1 ))
      5.000     5.000     0.000 peak  3843 weight  0.10000E+01 volume  0.27200E+00 ppm1      0.603 ppm2      3.153
 ASSI { 3613}
   (  segid "IL13" and resid 14   and name HD1%)
   (  segid "IL13" and resid 107  and name HD% )
      5.000     5.000     0.000 peak  3613 weight  0.10000E+01 volume  0.15100E+00 ppm1      0.610 ppm2      7.226
 ASSI { 3827}
   (( segid "IL13" and resid 14   and name HG11))
   (( segid "IL13" and resid 14   and name HA  ))
      5.000     5.000     0.000 peak  3827 weight  0.10000E+01 volume -0.49200E+00 ppm1      1.787 ppm2      3.388
 ASSI { 3835}
   (( segid "IL13" and resid 14   and name HG12))
   (( segid "IL13" and resid 14   and name HA  ))
      5.000     5.000     0.000 peak  3835 weight  0.10000E+01 volume -0.44900E+00 ppm1      0.736 ppm2      3.363
 ASSI { 3829}
   (( segid "IL13" and resid 14   and name HG11))
   (  segid "IL13" and resid 14   and name HD1%)
      5.000     5.000     0.000 peak  3829 weight  0.10000E+01 volume -0.37300E+00 ppm1      1.799 ppm2      0.602
 ASSI { 3833}
   (( segid "IL13" and resid 14   and name HG12))
   (  segid "IL13" and resid 14   and name HD1%)
      5.000     5.000     0.000 peak  3833 weight  0.10000E+01 volume -0.32400E+00 ppm1      0.736 ppm2      0.602
 ASSI { 3834}
   (( segid "IL13" and resid 14   and name HG12))
   (( segid "IL13" and resid 14   and name HG11))
      3.500     3.500     0.000 peak  3834 weight  0.10000E+01 volume -0.12930E+01 ppm1      0.724 ppm2      1.799
 ASSI { 3724}
   (  segid "IL13" and resid 14   and name HG2%)
   (  segid "IL13" and resid 14   and name HD1%)
      5.000     5.000     0.000 peak  3724 weight  0.10000E+01 volume  0.32400E+00 ppm1      0.733 ppm2      0.617
 ASSI { 4152}
   (( segid "IL13" and resid 15   and name HA  ))
   (( segid "IL13" and resid 15   and name HB1 ))
      3.500     3.500     0.000 peak  4152 weight  0.10000E+01 volume  0.22850E+01 ppm1      3.846 ppm2      2.052
 OR { 4152}
   (( segid "IL13" and resid 15   and name HA  ))
   (( segid "IL13" and resid 15   and name HB2 ))
 ASSI { 3907}
   (( segid "IL13" and resid 15   and name HA  ))
   (( segid "IL13" and resid 15   and name HG1 ))
      5.000     5.000     0.000 peak  3907 weight  0.10000E+01 volume  0.56400E+00 ppm1      3.846 ppm2      2.450
 ASSI { 5028}
   (( segid "IL13" and resid 16   and name HA  ))
   (( segid "IL13" and resid 16   and name HB1 ))
      5.000     5.000     0.000 peak  5028 weight  0.10000E+01 volume  0.83400E+00 ppm1      4.668 ppm2      2.118
 ASSI { 5027}
   (( segid "IL13" and resid 16   and name HA  ))
   (( segid "IL13" and resid 16   and name HB2 ))
      5.000     5.000     0.000 peak  5027 weight  0.10000E+01 volume  0.94900E+00 ppm1      4.663 ppm2      1.980
 ASSI { 4016}
   (( segid "IL13" and resid 16   and name HA  ))
   (( segid "IL13" and resid 19   and name HB1 ))
      3.500     3.500     0.000 peak  4016 weight  0.10000E+01 volume  0.15370E+01 ppm1      4.663 ppm2      3.104
 OR { 4016}
   (( segid "IL13" and resid 16   and name HA  ))
   (( segid "IL13" and resid 19   and name HB2 ))
 ASSI { 5907}
   (( segid "IL13" and resid 17   and name HA  ))
   (( segid "IL13" and resid 17   and name HB2 ))
      5.000     5.000     0.000 peak  5907 weight  0.10000E+01 volume  0.70000E+00 ppm1      4.127 ppm2      1.276
 ASSI { 5198}
   (( segid "IL13" and resid 17   and name HA  ))
   (  segid "IL13" and resid 17   and name HD2%)
      5.000     5.000     0.000 peak  5198 weight  0.10000E+01 volume  0.79800E+00 ppm1      4.123 ppm2      0.967
 ASSI { 3701}
   (( segid "IL13" and resid 17   and name HB1 ))
   (( segid "IL13" and resid 17   and name HB2 ))
      3.500     3.500     0.000 peak  3701 weight  0.10000E+01 volume -0.14110E+01 ppm1      2.240 ppm2      1.262
 ASSI { 3909}
   (  segid "IL13" and resid 17   and name HD2%)
   (( segid "IL13" and resid 17   and name HG  ))
      3.500     3.500     0.000 peak  3909 weight  0.10000E+01 volume -0.10810E+01 ppm1      0.956 ppm2      2.166
 ASSI { 4445}
   (( segid "IL13" and resid 17   and name HG  ))
   (  segid "IL13" and resid 17   and name HD1%)
      5.000     5.000     0.000 peak  4445 weight  0.10000E+01 volume -0.29500E+00 ppm1      2.166 ppm2      0.798
 ASSI { 3719}
   (( segid "IL13" and resid 18   and name HA  ))
   (( segid "IL13" and resid 18   and name HB  ))
      3.500     3.500     0.000 peak  3719 weight  0.10000E+01 volume  0.11560E+01 ppm1      3.366 ppm2      2.211
 ASSI { 3717}
   (( segid "IL13" and resid 18   and name HA  ))
   (  segid "IL13" and resid 18   and name HG1%)
      3.500     3.500     0.000 peak  3717 weight  0.10000E+01 volume  0.10510E+01 ppm1      3.362 ppm2      1.046
 ASSI { 3714}
   (( segid "IL13" and resid 18   and name HA  ))
   (  segid "IL13" and resid 18   and name HG2%)
      3.500     3.500     0.000 peak  3714 weight  0.10000E+01 volume  0.11280E+01 ppm1      3.361 ppm2      0.869
 ASSI { 4154}
   (( segid "IL13" and resid 18   and name HB  ))
   (  segid "IL13" and resid 18   and name HG1%)
      5.000     5.000     0.000 peak  4154 weight  0.10000E+01 volume -0.10160E+01 ppm1      2.203 ppm2      1.042
 ASSI { 4041}
   (  segid "IL13" and resid 18   and name HG2%)
   (( segid "IL13" and resid 18   and name HB  ))
      5.000     5.000     0.000 peak  4041 weight  0.10000E+01 volume -0.87700E+00 ppm1      0.870 ppm2      2.215
 ASSI { 4042}
   (  segid "IL13" and resid 18   and name HG2%)
   (  segid "IL13" and resid 18   and name HG1%)
      5.000     5.000     0.000 peak  4042 weight  0.10000E+01 volume -0.46700E+00 ppm1      0.870 ppm2      1.042
 ASSI { 4177}
   (( segid "IL13" and resid 20   and name HA  ))
   (( segid "IL13" and resid 20   and name HB  ))
      3.500     3.500     0.000 peak  4177 weight  0.10000E+01 volume  0.16190E+01 ppm1      4.346 ppm2      2.184
 ASSI { 4174}
   (( segid "IL13" and resid 20   and name HB  ))
   (  segid "IL13" and resid 20   and name HD1%)
      5.000     5.000     0.000 peak  4174 weight  0.10000E+01 volume -0.32900E+00 ppm1      2.191 ppm2      0.969
 ASSI { 4175}
   (( segid "IL13" and resid 20   and name HB  ))
   (( segid "IL13" and resid 20   and name HG11))
      5.000     5.000     0.000 peak  4175 weight  0.10000E+01 volume -0.42100E+00 ppm1      2.191 ppm2      1.751
 ASSI { 4172}
   (( segid "IL13" and resid 20   and name HB  ))
   (( segid "IL13" and resid 20   and name HG12))
      5.000     5.000     0.000 peak  4172 weight  0.10000E+01 volume -0.67700E+00 ppm1      2.191 ppm2      1.482
 ASSI { 4173}
   (( segid "IL13" and resid 20   and name HB  ))
   (  segid "IL13" and resid 20   and name HG2%)
      5.000     5.000     0.000 peak  4173 weight  0.10000E+01 volume -0.50700E+00 ppm1      2.191 ppm2      1.140
 ASSI { 4266}
   (  segid "IL13" and resid 20   and name HD1%)
   (( segid "IL13" and resid 17   and name HA  ))
      5.000     5.000     0.000 peak  4266 weight  0.10000E+01 volume  0.69000E-01 ppm1      0.988 ppm2      4.124
 ASSI { 4078}
   (  segid "IL13" and resid 20   and name HD1%)
   (( segid "IL13" and resid 20   and name HG12))
      5.000     5.000     0.000 peak  4078 weight  0.10000E+01 volume  0.66500E+00 ppm1      0.988 ppm2      1.486
 ASSI { 1570}
   (  segid "IL13" and resid 20   and name HG2%)
   (( segid "IL13" and resid 20   and name HG11))
      5.000     5.000     0.000 peak  1570 weight  0.10000E+01 volume  0.22700E+00 ppm1      1.150 ppm2      1.756
 ASSI { 4180}
   (  segid "IL13" and resid 20   and name HG2%)
   (( segid "IL13" and resid 20   and name HG12))
      5.000     5.000     0.000 peak  4180 weight  0.10000E+01 volume  0.33400E+00 ppm1      1.148 ppm2      1.491
 ASSI { 3983}
   (( segid "IL13" and resid 21   and name HA  ))
   (( segid "IL13" and resid 21   and name HB  ))
      3.500     3.500     0.000 peak  3983 weight  0.10000E+01 volume  0.18500E+01 ppm1      4.469 ppm2      4.296
 ASSI { 3568}
   (( segid "IL13" and resid 21   and name HB  ))
   (  segid "IL13" and resid 21   and name HG2%)
      3.500     3.500     0.000 peak  3568 weight  0.10000E+01 volume  0.10410E+01 ppm1      4.298 ppm2      1.287
 ASSI { 4187}
   (( segid "IL13" and resid 22   and name HA  ))
   (( segid "IL13" and resid 22   and name HB1 ))
      3.500     3.500     0.000 peak  4187 weight  0.10000E+01 volume  0.29310E+01 ppm1      4.368 ppm2      2.127
 OR { 4187}
   (( segid "IL13" and resid 22   and name HA  ))
   (( segid "IL13" and resid 22   and name HB2 ))
 ASSI { 4188}
   (( segid "IL13" and resid 22   and name HB2 ))
   (( segid "IL13" and resid 22   and name HG1 ))
      3.500     3.500     0.000 peak  4188 weight  0.10000E+01 volume -0.33920E+01 ppm1      2.130 ppm2      2.508
 OR { 4188}
   (( segid "IL13" and resid 22   and name HB1 ))
   (( segid "IL13" and resid 22   and name HG2 ))
 OR { 4188}
   (( segid "IL13" and resid 22   and name HB1 ))
   (( segid "IL13" and resid 22   and name HG1 ))
 ASSI { 4017}
   (( segid "IL13" and resid 23   and name HA  ))
   (( segid "IL13" and resid 23   and name HB1 ))
      3.500     3.500     0.000 peak  4017 weight  0.10000E+01 volume  0.17280E+01 ppm1      4.734 ppm2      2.999
 ASSI { 4018}
   (( segid "IL13" and resid 23   and name HA  ))
   (( segid "IL13" and resid 23   and name HB2 ))
      3.500     3.500     0.000 peak  4018 weight  0.10000E+01 volume  0.14310E+01 ppm1      4.735 ppm2      2.865
 ASSI { 4019}
   (( segid "IL13" and resid 23   and name HB2 ))
   (( segid "IL13" and resid 23   and name HB1 ))
      2.700     2.700     0.000 peak  4019 weight  0.10000E+01 volume -0.87770E+01 ppm1      2.863 ppm2      2.997
 ASSI { 4398}
   (( segid "IL13" and resid 24   and name HA  ))
   (( segid "IL13" and resid 24   and name HB1 ))
      3.500     3.500     0.000 peak  4398 weight  0.10000E+01 volume  0.10960E+01 ppm1      4.387 ppm2      2.240
 ASSI { 4401}
   (( segid "IL13" and resid 24   and name HA  ))
   (( segid "IL13" and resid 24   and name HB2 ))
      5.000     5.000     0.000 peak  4401 weight  0.10000E+01 volume  0.81500E+00 ppm1      4.389 ppm2      2.010
 ASSI { 4399}
   (( segid "IL13" and resid 24   and name HA  ))
   (( segid "IL13" and resid 24   and name HG2 ))
      5.000     5.000     0.000 peak  4399 weight  0.10000E+01 volume  0.74100E+00 ppm1      4.390 ppm2      2.368
 ASSI { 4650}
   (( segid "IL13" and resid 25   and name HA  ))
   (( segid "IL13" and resid 25   and name HB1 ))
      3.500     3.500     0.000 peak  4650 weight  0.10000E+01 volume  0.17160E+01 ppm1      4.280 ppm2      1.950
 ASSI { 4651}
   (( segid "IL13" and resid 25   and name HA  ))
   (( segid "IL13" and resid 25   and name HB2 ))
      5.000     5.000     0.000 peak  4651 weight  0.10000E+01 volume  0.96600E+00 ppm1      4.280 ppm2      1.815
 ASSI {  786}
   (( segid "IL13" and resid 26   and name HA  ))
   (  segid "IL13" and resid 26   and name HB% )
      5.000     5.000     0.000 peak   786 weight  0.10000E+01 volume  0.86800E+00 ppm1      4.710 ppm2      1.378
 ASSI { 4379}
   (( segid "IL13" and resid 26   and name HA  ))
   (( segid "IL13" and resid 27   and name HD1 ))
      3.500     3.500     0.000 peak  4379 weight  0.10000E+01 volume  0.23590E+01 ppm1      4.712 ppm2      3.806
 ASSI { 4380}
   (( segid "IL13" and resid 26   and name HA  ))
   (( segid "IL13" and resid 27   and name HD2 ))
      3.500     3.500     0.000 peak  4380 weight  0.10000E+01 volume  0.15370E+01 ppm1      4.713 ppm2      3.604
 ASSI { 3546}
   (  segid "IL13" and resid 26   and name HB% )
   (( segid "IL13" and resid 27   and name HD1 ))
      5.000     5.000     0.000 peak  3546 weight  0.10000E+01 volume  0.16000E+00 ppm1      1.373 ppm2      3.813
 ASSI { 3812}
   (  segid "IL13" and resid 26   and name HB% )
   (( segid "IL13" and resid 27   and name HD2 ))
      5.000     5.000     0.000 peak  3812 weight  0.10000E+01 volume  0.32700E+00 ppm1      1.375 ppm2      3.605
 ASSI { 3814}
   (( segid "IL13" and resid 27   and name HA  ))
   (( segid "IL13" and resid 27   and name HB1 ))
      3.500     3.500     0.000 peak  3814 weight  0.10000E+01 volume  0.19080E+01 ppm1      4.340 ppm2      2.330
 ASSI { 3817}
   (( segid "IL13" and resid 27   and name HB2 ))
   (( segid "IL13" and resid 27   and name HA  ))
      3.500     3.500     0.000 peak  3817 weight  0.10000E+01 volume -0.11550E+01 ppm1      1.689 ppm2      4.341
 ASSI { 3816}
   (( segid "IL13" and resid 27   and name HB2 ))
   (( segid "IL13" and resid 27   and name HB1 ))
      3.500     3.500     0.000 peak  3816 weight  0.10000E+01 volume -0.31200E+01 ppm1      1.689 ppm2      2.337
 ASSI { 3653}
   (( segid "IL13" and resid 28   and name HB2 ))
   (( segid "IL13" and resid 28   and name HA  ))
      5.000     5.000     0.000 peak  3653 weight  0.10000E+01 volume -0.80300E+00 ppm1      1.592 ppm2      4.243
 OR { 3653}
   (( segid "IL13" and resid 28   and name HB1 ))
   (( segid "IL13" and resid 28   and name HA  ))
 ASSI {  480}
   (  segid "IL13" and resid 28   and name HD1%)
   (( segid "IL13" and resid 20   and name HB  ))
      5.000     5.000     0.000 peak   480 weight  0.10000E+01 volume -0.41000E-01 ppm1      0.919 ppm2      2.190
 ASSI {  969}
   (( segid "IL13" and resid 29   and name HA  ))
   (( segid "IL13" and resid 29   and name HB1 ))
      3.500     3.500     0.000 peak   969 weight  0.10000E+01 volume  0.12940E+01 ppm1      4.601 ppm2      3.525
 ASSI { 4239}
   (( segid "IL13" and resid 29   and name HA  ))
   (( segid "IL13" and resid 29   and name HB2 ))
      5.000     5.000     0.000 peak  4239 weight  0.10000E+01 volume  0.86300E+00 ppm1      4.595 ppm2      2.916
 ASSI { 3912}
   (( segid "IL13" and resid 29   and name HB2 ))
   (( segid "IL13" and resid 29   and name HB1 ))
      3.500     3.500     0.000 peak  3912 weight  0.10000E+01 volume -0.25090E+01 ppm1      2.912 ppm2      3.534
 ASSI {  696}
   (( segid "IL13" and resid 29   and name HB2 ))
   (  segid "IL13" and resid 92   and name HG1%)
      5.000     5.000     0.000 peak   696 weight  0.10000E+01 volume -0.31100E+00 ppm1      2.912 ppm2      0.871
 ASSI { 3913}
   (( segid "IL13" and resid 29   and name HB1 ))
   (  segid "IL13" and resid 92   and name HG2%)
      5.000     5.000     0.000 peak  3913 weight  0.10000E+01 volume -0.24700E+00 ppm1      3.535 ppm2      0.895
 ASSI { 4024}
   (( segid "IL13" and resid 30   and name HA  ))
   (( segid "IL13" and resid 30   and name HB1 ))
      3.500     3.500     0.000 peak  4024 weight  0.10000E+01 volume  0.12230E+01 ppm1      4.332 ppm2      3.062
 ASSI { 4023}
   (( segid "IL13" and resid 30   and name HA  ))
   (( segid "IL13" and resid 30   and name HB2 ))
      3.500     3.500     0.000 peak  4023 weight  0.10000E+01 volume  0.12700E+01 ppm1      4.333 ppm2      2.808
 ASSI { 4027}
   (( segid "IL13" and resid 30   and name HB2 ))
   (( segid "IL13" and resid 30   and name HB1 ))
      2.700     2.700     0.000 peak  4027 weight  0.10000E+01 volume -0.66720E+01 ppm1      2.814 ppm2      3.070
 ASSI { 4764}
   (( segid "IL13" and resid 32   and name HB1 ))
   (( segid "IL13" and resid 32   and name HA  ))
      3.500     3.500     0.000 peak  4764 weight  0.10000E+01 volume  0.13930E+01 ppm1      3.877 ppm2      4.429
 OR { 4764}
   (( segid "IL13" and resid 32   and name HB2 ))
   (( segid "IL13" and resid 32   and name HA  ))
 ASSI { 3911}
   (( segid "IL13" and resid 32   and name HB2 ))
   (  segid "IL13" and resid 92   and name HG2%)
      5.000     5.000     0.000 peak  3911 weight  0.10000E+01 volume  0.44500E+00 ppm1      3.819 ppm2      0.900
 ASSI { 3994}
   (( segid "IL13" and resid 33   and name HA  ))
   (( segid "IL13" and resid 33   and name HB1 ))
      5.000     5.000     0.000 peak  3994 weight  0.10000E+01 volume  0.75800E+00 ppm1      5.080 ppm2      1.790
 ASSI { 3995}
   (( segid "IL13" and resid 33   and name HA  ))
   (( segid "IL13" and resid 33   and name HB2 ))
      5.000     5.000     0.000 peak  3995 weight  0.10000E+01 volume  0.10030E+01 ppm1      5.083 ppm2      1.530
 ASSI { 3993}
   (( segid "IL13" and resid 33   and name HA  ))
   (( segid "IL13" and resid 33   and name HG2 ))
      5.000     5.000     0.000 peak  3993 weight  0.10000E+01 volume  0.66100E+00 ppm1      5.088 ppm2      2.378
 ASSI { 3996}
   (( segid "IL13" and resid 33   and name HA  ))
   (( segid "IL13" and resid 91   and name HA  ))
      3.500     3.500     0.000 peak  3996 weight  0.10000E+01 volume  0.15060E+01 ppm1      5.085 ppm2      4.546
 ASSI { 3988}
   (( segid "IL13" and resid 33   and name HB2 ))
   (( segid "IL13" and resid 33   and name HB1 ))
      3.500     3.500     0.000 peak  3988 weight  0.10000E+01 volume -0.15000E+01 ppm1      1.530 ppm2      1.775
 ASSI {  609}
   (  segid "IL13" and resid 33   and name HE% )
   (( segid "IL13" and resid 33   and name HG1 ))
      5.000     5.000     0.000 peak   609 weight  0.10000E+01 volume  0.32800E+00 ppm1      1.895 ppm2      2.604
 ASSI {  610}
   (  segid "IL13" and resid 33   and name HE% )
   (( segid "IL13" and resid 91   and name HG2 ))
      5.000     5.000     0.000 peak   610 weight  0.10000E+01 volume  0.32900E+00 ppm1      1.890 ppm2      2.430
 ASSI {  448}
   (( segid "IL13" and resid 33   and name HG1 ))
   (( segid "IL13" and resid 33   and name HA  ))
      5.000     5.000     0.000 peak   448 weight  0.10000E+01 volume -0.35800E+00 ppm1      2.619 ppm2      5.074
 ASSI { 4000}
   (( segid "IL13" and resid 33   and name HG1 ))
   (( segid "IL13" and resid 33   and name HB1 ))
      5.000     5.000     0.000 peak  4000 weight  0.10000E+01 volume -0.90000E+00 ppm1      2.606 ppm2      1.775
 ASSI { 4001}
   (( segid "IL13" and resid 33   and name HG1 ))
   (( segid "IL13" and resid 33   and name HB2 ))
      5.000     5.000     0.000 peak  4001 weight  0.10000E+01 volume -0.63600E+00 ppm1      2.606 ppm2      1.531
 ASSI { 3999}
   (( segid "IL13" and resid 33   and name HG1 ))
   (( segid "IL13" and resid 33   and name HG2 ))
      2.700     2.700     0.000 peak  3999 weight  0.10000E+01 volume -0.52700E+01 ppm1      2.606 ppm2      2.386
 ASSI { 4120}
   (( segid "IL13" and resid 34   and name HA  ))
   (( segid "IL13" and resid 34   and name HB  ))
      3.500     3.500     0.000 peak  4120 weight  0.10000E+01 volume  0.19410E+01 ppm1      4.447 ppm2      2.078
 ASSI { 4118}
   (( segid "IL13" and resid 34   and name HA  ))
   (  segid "IL13" and resid 34   and name HG2%)
      5.000     5.000     0.000 peak  4118 weight  0.10000E+01 volume  0.22500E+00 ppm1      4.447 ppm2      0.245
 ASSI { 4122}
   (( segid "IL13" and resid 34   and name HB  ))
   (  segid "IL13" and resid 34   and name HG1%)
      5.000     5.000     0.000 peak  4122 weight  0.10000E+01 volume -0.45800E+00 ppm1      2.081 ppm2      0.480
 ASSI { 4123}
   (( segid "IL13" and resid 34   and name HB  ))
   (  segid "IL13" and resid 34   and name HG2%)
      5.000     5.000     0.000 peak  4123 weight  0.10000E+01 volume -0.45000E+00 ppm1      2.081 ppm2      0.260
 ASSI { 4113}
   (  segid "IL13" and resid 34   and name HG1%)
   (  segid "IL13" and resid 34   and name HG2%)
      5.000     5.000     0.000 peak  4113 weight  0.10000E+01 volume -0.20900E+00 ppm1      0.491 ppm2      0.260
 ASSI { 4110}
   (  segid "IL13" and resid 34   and name HG1%)
   (  segid "IL13" and resid 54   and name HG2%)
      5.000     5.000     0.000 peak  4110 weight  0.10000E+01 volume -0.33000E-01 ppm1      0.491 ppm2      0.798
 ASSI {  562}
   (  segid "IL13" and resid 34   and name HG1%)
   (( segid "IL13" and resid 92   and name HB  ))
      5.000     5.000     0.000 peak   562 weight  0.10000E+01 volume -0.32000E-01 ppm1      0.491 ppm2      1.922
 ASSI { 3889}
   (  segid "IL13" and resid 34   and name HG2%)
   (( segid "IL13" and resid 92   and name HA  ))
      5.000     5.000     0.000 peak  3889 weight  0.10000E+01 volume  0.92000E-01 ppm1      0.257 ppm2      3.641
 ASSI { 3894}
   (  segid "IL13" and resid 34   and name HG2%)
   (  segid "IL13" and resid 92   and name HG1%)
      5.000     5.000     0.000 peak  3894 weight  0.10000E+01 volume  0.90000E-02 ppm1      0.256 ppm2      0.920
 ASSI { 3890}
   (  segid "IL13" and resid 34   and name HG2%)
   (( segid "IL13" and resid 95   and name HB1 ))
      5.000     5.000     0.000 peak  3890 weight  0.10000E+01 volume  0.16000E+00 ppm1      0.261 ppm2      3.437
 ASSI { 3891}
   (  segid "IL13" and resid 34   and name HG2%)
   (( segid "IL13" and resid 95   and name HB2 ))
      5.000     5.000     0.000 peak  3891 weight  0.10000E+01 volume  0.16700E+00 ppm1      0.252 ppm2      2.807
 ASSI { 4734}
   (  segid "IL13" and resid 34   and name HG2%)
   (  segid "IL13" and resid 95   and name HD% )
      5.000     5.000     0.000 peak  4734 weight  0.10000E+01 volume  0.22600E+00 ppm1      0.252 ppm2      7.101
 ASSI { 4344}
   (( segid "IL13" and resid 35   and name HA  ))
   (( segid "IL13" and resid 35   and name HB1 ))
      5.000     5.000     0.000 peak  4344 weight  0.10000E+01 volume  0.75600E+00 ppm1      4.822 ppm2      3.310
 ASSI { 4343}
   (( segid "IL13" and resid 35   and name HA  ))
   (( segid "IL13" and resid 35   and name HB2 ))
      5.000     5.000     0.000 peak  4343 weight  0.10000E+01 volume  0.52100E+00 ppm1      4.822 ppm2      2.971
 ASSI { 4361}
   (( segid "IL13" and resid 35   and name HA  ))
   (( segid "IL13" and resid 35   and name HE3 ))
      5.000     5.000     0.000 peak  4361 weight  0.10000E+01 volume  0.55100E+00 ppm1      4.829 ppm2      7.466
 ASSI { 6311}
   (( segid "IL13" and resid 35   and name HA  ))
   (( segid "IL13" and resid 89   and name HG1 ))
      5.000     5.000     0.000 peak  6311 weight  0.10000E+01 volume  0.37000E+00 ppm1      4.826 ppm2      0.820
 ASSI { 4342}
   (( segid "IL13" and resid 35   and name HA  ))
   (( segid "IL13" and resid 89   and name HG2 ))
      5.000     5.000     0.000 peak  4342 weight  0.10000E+01 volume  0.47200E+00 ppm1      4.832 ppm2      0.226
 ASSI { 4323}
   (( segid "IL13" and resid 35   and name HB2 ))
   (( segid "IL13" and resid 35   and name HB1 ))
      3.500     3.500     0.000 peak  4323 weight  0.10000E+01 volume -0.16380E+01 ppm1      2.973 ppm2      3.314
 ASSI { 4350}
   (( segid "IL13" and resid 35   and name HH2 ))
   (( segid "IL13" and resid 35   and name HZ2 ))
      3.500     3.500     0.000 peak  4350 weight  0.10000E+01 volume  0.13590E+01 ppm1      7.113 ppm2      7.374
 ASSI { 4351}
   (( segid "IL13" and resid 35   and name HH2 ))
   (( segid "IL13" and resid 35   and name HZ3 ))
      5.000     5.000     0.000 peak  4351 weight  0.10000E+01 volume  0.70000E+00 ppm1      7.114 ppm2      6.806
 ASSI { 4285}
   (( segid "IL13" and resid 36   and name HA  ))
   (( segid "IL13" and resid 36   and name HB2 ))
      3.500     3.500     0.000 peak  4285 weight  0.10000E+01 volume  0.16100E+01 ppm1      4.553 ppm2      3.970
 ASSI { 6085}
   (( segid "IL13" and resid 36   and name HA  ))
   (  segid "IL13" and resid 95   and name HE% )
      5.000     5.000     0.000 peak  6085 weight  0.10000E+01 volume  0.34900E+00 ppm1      4.555 ppm2      7.403
 ASSI {  538}
   (( segid "IL13" and resid 36   and name HB1 ))
   (( segid "IL13" and resid 36   and name HA  ))
      3.500     3.500     0.000 peak   538 weight  0.10000E+01 volume  0.12110E+01 ppm1      4.035 ppm2      4.546
 ASSI { 4142}
   (( segid "IL13" and resid 36   and name HB1 ))
   (  segid "IL13" and resid 90   and name HD1%)
      5.000     5.000     0.000 peak  4142 weight  0.10000E+01 volume  0.37500E+00 ppm1      4.035 ppm2      0.959
 ASSI {  478}
   (( segid "IL13" and resid 36   and name HB1 ))
   (( segid "IL13" and resid 90   and name HG12))
      5.000     5.000     0.000 peak   478 weight  0.10000E+01 volume  0.46500E+00 ppm1      4.038 ppm2      1.216
 ASSI {  477}
   (( segid "IL13" and resid 36   and name HB2 ))
   (( segid "IL13" and resid 90   and name HG12))
      5.000     5.000     0.000 peak   477 weight  0.10000E+01 volume  0.40600E+00 ppm1      3.949 ppm2      1.221
 ASSI { 3598}
   (( segid "IL13" and resid 36   and name HB2 ))
   (  segid "IL13" and resid 90   and name HG2%)
      5.000     5.000     0.000 peak  3598 weight  0.10000E+01 volume  0.43600E+00 ppm1      3.954 ppm2      0.959
 ASSI { 3728}
   (( segid "IL13" and resid 37   and name HA  ))
   (( segid "IL13" and resid 37   and name HB  ))
      3.500     3.500     0.000 peak  3728 weight  0.10000E+01 volume  0.13400E+01 ppm1      4.767 ppm2      1.816
 ASSI { 3730}
   (( segid "IL13" and resid 37   and name HB  ))
   (  segid "IL13" and resid 37   and name HD1%)
      5.000     5.000     0.000 peak  3730 weight  0.10000E+01 volume -0.59100E+00 ppm1      1.824 ppm2      0.749
 ASSI { 3731}
   (( segid "IL13" and resid 37   and name HB  ))
   (  segid "IL13" and resid 37   and name HG2%)
      5.000     5.000     0.000 peak  3731 weight  0.10000E+01 volume -0.57300E+00 ppm1      1.824 ppm2      0.969
 ASSI { 4394}
   (  segid "IL13" and resid 37   and name HD1%)
   (( segid "IL13" and resid 37   and name HG11))
      5.000     5.000     0.000 peak  4394 weight  0.10000E+01 volume  0.64500E+00 ppm1      0.744 ppm2      1.195
 ASSI { 4730}
   (  segid "IL13" and resid 37   and name HD1%)
   (  segid "IL13" and resid 39   and name HD2%)
      5.000     5.000     0.000 peak  4730 weight  0.10000E+01 volume  0.26000E-01 ppm1      0.738 ppm2      0.513
 ASSI { 4393}
   (  segid "IL13" and resid 37   and name HD1%)
   (  segid "IL13" and resid 46   and name HB% )
      5.000     5.000     0.000 peak  4393 weight  0.10000E+01 volume  0.14600E+00 ppm1      0.744 ppm2      1.459
 ASSI { 4390}
   (  segid "IL13" and resid 37   and name HD1%)
   (( segid "IL13" and resid 47   and name HA  ))
      5.000     5.000     0.000 peak  4390 weight  0.10000E+01 volume  0.26000E+00 ppm1      0.750 ppm2      4.364
 ASSI { 4392}
   (  segid "IL13" and resid 37   and name HD1%)
   (  segid "IL13" and resid 47   and name HB% )
      5.000     5.000     0.000 peak  4392 weight  0.10000E+01 volume  0.16800E+00 ppm1      0.746 ppm2      1.629
 ASSI { 3611}
   (  segid "IL13" and resid 37   and name HD1%)
   (( segid "IL13" and resid 95   and name HZ  ))
      5.000     5.000     0.000 peak  3611 weight  0.10000E+01 volume  0.34400E+00 ppm1      0.747 ppm2      7.401
 ASSI { 3804}
   (( segid "IL13" and resid 37   and name HG12))
   (  segid "IL13" and resid 37   and name HD1%)
      5.000     5.000     0.000 peak  3804 weight  0.10000E+01 volume -0.42700E+00 ppm1      1.005 ppm2      0.749
 ASSI { 4030}
   (( segid "IL13" and resid 38   and name HA  ))
   (( segid "IL13" and resid 38   and name HB1 ))
      3.500     3.500     0.000 peak  4030 weight  0.10000E+01 volume  0.14700E+01 ppm1      4.696 ppm2      2.755
 ASSI { 4029}
   (( segid "IL13" and resid 38   and name HA  ))
   (( segid "IL13" and resid 38   and name HB2 ))
      3.500     3.500     0.000 peak  4029 weight  0.10000E+01 volume  0.16410E+01 ppm1      4.696 ppm2      2.683
 ASSI { 4138}
   (( segid "IL13" and resid 39   and name HA  ))
   (( segid "IL13" and resid 39   and name HB2 ))
      5.000     5.000     0.000 peak  4138 weight  0.10000E+01 volume  0.58000E+00 ppm1      3.965 ppm2      1.314
 ASSI { 4141}
   (( segid "IL13" and resid 39   and name HA  ))
   (  segid "IL13" and resid 39   and name HD1%)
      5.000     5.000     0.000 peak  4141 weight  0.10000E+01 volume  0.26900E+00 ppm1      3.972 ppm2      0.641
 ASSI { 4139}
   (( segid "IL13" and resid 39   and name HA  ))
   (( segid "IL13" and resid 39   and name HG  ))
      5.000     5.000     0.000 peak  4139 weight  0.10000E+01 volume  0.48900E+00 ppm1      3.968 ppm2      1.440
 ASSI { 3949}
   (( segid "IL13" and resid 39   and name HB1 ))
   (( segid "IL13" and resid 39   and name HB2 ))
      3.500     3.500     0.000 peak  3949 weight  0.10000E+01 volume -0.14550E+01 ppm1      0.577 ppm2      1.311
 ASSI { 4137}
   (  segid "IL13" and resid 39   and name HD1%)
   (( segid "IL13" and resid 39   and name HB2 ))
      5.000     5.000     0.000 peak  4137 weight  0.10000E+01 volume -0.35700E+00 ppm1      0.650 ppm2      1.311
 ASSI { 4136}
   (  segid "IL13" and resid 39   and name HD1%)
   (( segid "IL13" and resid 39   and name HG  ))
      5.000     5.000     0.000 peak  4136 weight  0.10000E+01 volume -0.41000E+00 ppm1      0.650 ppm2      1.433
 ASSI {  589}
   (  segid "IL13" and resid 39   and name HD1%)
   (( segid "IL13" and resid 102  and name HB2 ))
      5.000     5.000     0.000 peak   589 weight  0.10000E+01 volume -0.55000E-01 ppm1      0.662 ppm2      3.094
 ASSI { 4126}
   (  segid "IL13" and resid 39   and name HD2%)
   (( segid "IL13" and resid 39   and name HG  ))
      5.000     5.000     0.000 peak  4126 weight  0.10000E+01 volume -0.48900E+00 ppm1      0.504 ppm2      1.433
 ASSI { 4054}
   (( segid "IL13" and resid 40   and name HA  ))
   (  segid "IL13" and resid 40   and name HG2%)
      5.000     5.000     0.000 peak  4054 weight  0.10000E+01 volume  0.48100E+00 ppm1      4.370 ppm2      1.105
 ASSI { 3567}
   (( segid "IL13" and resid 40   and name HB  ))
   (  segid "IL13" and resid 40   and name HG2%)
      3.500     3.500     0.000 peak  3567 weight  0.10000E+01 volume  0.13660E+01 ppm1      4.309 ppm2      1.112
 ASSI { 4238}
   (( segid "IL13" and resid 41   and name HA  ))
   (  segid "IL13" and resid 41   and name HB% )
      3.500     3.500     0.000 peak  4238 weight  0.10000E+01 volume  0.13270E+01 ppm1      4.344 ppm2      1.413
 ASSI { 4368}
   (( segid "IL13" and resid 43   and name HA  ))
   (( segid "IL13" and resid 43   and name HB2 ))
      3.500     3.500     0.000 peak  4368 weight  0.10000E+01 volume  0.11540E+01 ppm1      4.283 ppm2      2.151
 ASSI { 4369}
   (( segid "IL13" and resid 43   and name HA  ))
   (( segid "IL13" and resid 43   and name HG1 ))
      5.000     5.000     0.000 peak  4369 weight  0.10000E+01 volume  0.85300E+00 ppm1      4.281 ppm2      1.999
 OR { 4369}
   (( segid "IL13" and resid 43   and name HA  ))
   (( segid "IL13" and resid 43   and name HG2 ))
 ASSI { 5062}
   (( segid "IL13" and resid 43   and name HA  ))
   (  segid "IL13" and resid 46   and name HB% )
      5.000     5.000     0.000 peak  5062 weight  0.10000E+01 volume  0.27100E+00 ppm1      4.284 ppm2      1.451
 ASSI {  604}
   (( segid "IL13" and resid 43   and name HB2 ))
   (  segid "IL13" and resid 43   and name HE% )
      5.000     5.000     0.000 peak   604 weight  0.10000E+01 volume -0.10400E+00 ppm1      2.166 ppm2      1.457
 ASSI {  598}
   (  segid "IL13" and resid 43   and name HE% )
   (( segid "IL13" and resid 43   and name HG1 ))
      5.000     5.000     0.000 peak   598 weight  0.10000E+01 volume  0.14700E+00 ppm1      1.472 ppm2      2.005
 ASSI {  591}
   (  segid "IL13" and resid 43   and name HE% )
   (  segid "IL13" and resid 44   and name HE% )
      5.000     5.000     0.000 peak   591 weight  0.10000E+01 volume  0.43000E-01 ppm1      1.479 ppm2      6.466
 ASSI {  602}
   (  segid "IL13" and resid 43   and name HE% )
   (( segid "IL13" and resid 102  and name HD2 ))
      5.000     5.000     0.000 peak   602 weight  0.10000E+01 volume  0.15300E+00 ppm1      1.470 ppm2      6.615
 ASSI { 4243}
   (( segid "IL13" and resid 44   and name HA  ))
   (( segid "IL13" and resid 44   and name HB1 ))
      5.000     5.000     0.000 peak  4243 weight  0.10000E+01 volume  0.86600E+00 ppm1      4.040 ppm2      2.969
 OR { 4243}
   (( segid "IL13" and resid 44   and name HA  ))
   (( segid "IL13" and resid 44   and name HB2 ))
 ASSI { 3550}
   (( segid "IL13" and resid 44   and name HA  ))
   (  segid "IL13" and resid 44   and name HD% )
      5.000     5.000     0.000 peak  3550 weight  0.10000E+01 volume  0.85100E+00 ppm1      4.034 ppm2      6.950
 ASSI { 3744}
   (( segid "IL13" and resid 44   and name HA  ))
   (  segid "IL13" and resid 47   and name HB% )
      5.000     5.000     0.000 peak  3744 weight  0.10000E+01 volume  0.17800E+00 ppm1      4.037 ppm2      1.627
 ASSI { 3553}
   (( segid "IL13" and resid 44   and name HB2 ))
   (  segid "IL13" and resid 44   and name HD% )
      3.500     3.500     0.000 peak  3553 weight  0.10000E+01 volume -0.11860E+01 ppm1      2.973 ppm2      6.955
 OR { 3553}
   (( segid "IL13" and resid 44   and name HB1 ))
   (  segid "IL13" and resid 44   and name HD% )
 ASSI { 3622}
   (  segid "IL13" and resid 44   and name HD% )
   (  segid "IL13" and resid 67   and name HD2%)
      5.000     5.000     0.000 peak  3622 weight  0.10000E+01 volume -0.70000E-01 ppm1      6.946 ppm2      1.091
 ASSI { 3552}
   (  segid "IL13" and resid 44   and name HE% )
   (  segid "IL13" and resid 44   and name HD% )
      3.500     3.500     0.000 peak  3552 weight  0.10000E+01 volume  0.17310E+01 ppm1      6.465 ppm2      6.950
 ASSI {  369}
   (  segid "IL13" and resid 44   and name HE% )
   (  segid "IL13" and resid 67   and name HD2%)
      5.000     5.000     0.000 peak   369 weight  0.10000E+01 volume  0.17900E+00 ppm1      6.466 ppm2      1.107
 ASSI { 4778}
   (( segid "IL13" and resid 45   and name HA  ))
   (( segid "IL13" and resid 71   and name HB1 ))
      5.000     5.000     0.000 peak  4778 weight  0.10000E+01 volume  0.55300E+00 ppm1      4.464 ppm2      3.308
 ASSI { 4777}
   (( segid "IL13" and resid 45   and name HA  ))
   (( segid "IL13" and resid 71   and name HB2 ))
      5.000     5.000     0.000 peak  4777 weight  0.10000E+01 volume  0.96600E+00 ppm1      4.464 ppm2      2.459
 ASSI { 3879}
   (( segid "IL13" and resid 45   and name HB1 ))
   (( segid "IL13" and resid 45   and name HA  ))
      5.000     5.000     0.000 peak  3879 weight  0.10000E+01 volume -0.88500E+00 ppm1      3.193 ppm2      4.463
 OR { 3879}
   (( segid "IL13" and resid 45   and name HB2 ))
   (( segid "IL13" and resid 45   and name HA  ))
 ASSI { 5418}
   (  segid "IL13" and resid 46   and name HB% )
   (( segid "IL13" and resid 37   and name HB  ))
      5.000     5.000     0.000 peak  5418 weight  0.10000E+01 volume  0.18300E+00 ppm1      1.452 ppm2      1.809
 ASSI { 3619}
   (( segid "IL13" and resid 47   and name HA  ))
   (( segid "IL13" and resid 95   and name HZ  ))
      3.500     3.500     0.000 peak  3619 weight  0.10000E+01 volume  0.16200E+01 ppm1      4.371 ppm2      7.400
 ASSI { 3592}
   (  segid "IL13" and resid 47   and name HB% )
   (( segid "IL13" and resid 95   and name HZ  ))
      5.000     5.000     0.000 peak  3592 weight  0.10000E+01 volume  0.40700E+00 ppm1      1.631 ppm2      7.405
 ASSI { 4251}
   (( segid "IL13" and resid 48   and name HA  ))
   (( segid "IL13" and resid 48   and name HB2 ))
      3.500     3.500     0.000 peak  4251 weight  0.10000E+01 volume  0.17290E+01 ppm1      4.099 ppm2      1.628
 ASSI { 4250}
   (( segid "IL13" and resid 48   and name HA  ))
   (  segid "IL13" and resid 48   and name HD1%)
      5.000     5.000     0.000 peak  4250 weight  0.10000E+01 volume  0.91800E+00 ppm1      4.099 ppm2      1.073
 ASSI { 3688}
   (( segid "IL13" and resid 48   and name HB1 ))
   (( segid "IL13" and resid 48   and name HA  ))
      5.000     5.000     0.000 peak  3688 weight  0.10000E+01 volume -0.75900E+00 ppm1      2.240 ppm2      4.096
 ASSI { 3698}
   (( segid "IL13" and resid 48   and name HB2 ))
   (( segid "IL13" and resid 48   and name HB1 ))
      3.500     3.500     0.000 peak  3698 weight  0.10000E+01 volume -0.19470E+01 ppm1      1.628 ppm2      2.239
 ASSI { 3702}
   (( segid "IL13" and resid 48   and name HB1 ))
   (  segid "IL13" and resid 48   and name HD2%)
      5.000     5.000     0.000 peak  3702 weight  0.10000E+01 volume -0.76500E+00 ppm1      2.240 ppm2      1.042
 ASSI { 3705}
   (( segid "IL13" and resid 48   and name HB2 ))
   (  segid "IL13" and resid 48   and name HD2%)
      5.000     5.000     0.000 peak  3705 weight  0.10000E+01 volume -0.53200E+00 ppm1      1.628 ppm2      1.042
 ASSI { 4106}
   (  segid "IL13" and resid 48   and name HD1%)
   (( segid "IL13" and resid 48   and name HG  ))
      5.000     5.000     0.000 peak  4106 weight  0.10000E+01 volume -0.10180E+01 ppm1      1.078 ppm2      1.604
 ASSI { 4247}
   (  segid "IL13" and resid 48   and name HD2%)
   (( segid "IL13" and resid 48   and name HA  ))
      5.000     5.000     0.000 peak  4247 weight  0.10000E+01 volume -0.30300E+00 ppm1      1.041 ppm2      4.096
 ASSI { 4248}
   (  segid "IL13" and resid 48   and name HD2%)
   (( segid "IL13" and resid 48   and name HG  ))
      3.500     3.500     0.000 peak  4248 weight  0.10000E+01 volume -0.12610E+01 ppm1      1.041 ppm2      1.628
 ASSI { 4246}
   (  segid "IL13" and resid 48   and name HD2%)
   (( segid "IL13" and resid 68   and name HA  ))
      5.000     5.000     0.000 peak  4246 weight  0.10000E+01 volume -0.47900E+00 ppm1      1.041 ppm2      4.267
 ASSI { 4436}
   (( segid "IL13" and resid 48   and name HG  ))
   (( segid "IL13" and resid 48   and name HB1 ))
      5.000     5.000     0.000 peak  4436 weight  0.10000E+01 volume -0.76900E+00 ppm1      1.628 ppm2      2.239
 ASSI { 3908}
   (( segid "IL13" and resid 49   and name HA  ))
   (( segid "IL13" and resid 49   and name HG1 ))
      5.000     5.000     0.000 peak  3908 weight  0.10000E+01 volume  0.46200E+00 ppm1      3.841 ppm2      2.605
 ASSI { 3943}
   (( segid "IL13" and resid 49   and name HA  ))
   (  segid "IL13" and resid 52   and name HG2%)
      5.000     5.000     0.000 peak  3943 weight  0.10000E+01 volume  0.59500E+00 ppm1      3.848 ppm2      0.902
 ASSI { 5910}
   (( segid "IL13" and resid 49   and name HB2 ))
   (( segid "IL13" and resid 49   and name HA  ))
      5.000     5.000     0.000 peak  5910 weight  0.10000E+01 volume -0.47700E+00 ppm1      2.215 ppm2      3.852
 OR { 5910}
   (( segid "IL13" and resid 49   and name HB1 ))
   (( segid "IL13" and resid 49   and name HA  ))
 ASSI {  463}
   (( segid "IL13" and resid 49   and name HG1 ))
   (  segid "IL13" and resid 75   and name HG1%)
      5.000     5.000     0.000 peak   463 weight  0.10000E+01 volume -0.12600E+00 ppm1      2.619 ppm2      0.969
 ASSI { 5416}
   (( segid "IL13" and resid 49   and name HG2 ))
   (  segid "IL13" and resid 75   and name HG1%)
      5.000     5.000     0.000 peak  5416 weight  0.10000E+01 volume -0.14900E+00 ppm1      2.337 ppm2      0.944
 ASSI {  281}
   (( segid "IL13" and resid 50   and name HB2 ))
   (( segid "IL13" and resid 50   and name HA  ))
      3.500     3.500     0.000 peak   281 weight  0.10000E+01 volume  0.23110E+01 ppm1      3.768 ppm2      4.373
 ASSI { 4170}
   (( segid "IL13" and resid 51   and name HA  ))
   (  segid "IL13" and resid 34   and name HG1%)
      5.000     5.000     0.000 peak  4170 weight  0.10000E+01 volume  0.19600E+00 ppm1      3.992 ppm2      0.478
 ASSI { 4199}
   (( segid "IL13" and resid 51   and name HA  ))
   (( segid "IL13" and resid 51   and name HB1 ))
      5.000     5.000     0.000 peak  4199 weight  0.10000E+01 volume  0.95900E+00 ppm1      3.990 ppm2      1.778
 ASSI { 4198}
   (( segid "IL13" and resid 51   and name HA  ))
   (( segid "IL13" and resid 51   and name HB2 ))
      5.000     5.000     0.000 peak  4198 weight  0.10000E+01 volume  0.78100E+00 ppm1      3.990 ppm2      1.418
 ASSI { 4169}
   (( segid "IL13" and resid 51   and name HA  ))
   (  segid "IL13" and resid 51   and name HD2%)
      5.000     5.000     0.000 peak  4169 weight  0.10000E+01 volume  0.55600E+00 ppm1      3.991 ppm2      0.603
 ASSI { 4166}
   (( segid "IL13" and resid 51   and name HA  ))
   (  segid "IL13" and resid 54   and name HG2%)
      5.000     5.000     0.000 peak  4166 weight  0.10000E+01 volume  0.55100E+00 ppm1      3.989 ppm2      0.806
 ASSI { 4201}
   (( segid "IL13" and resid 51   and name HB2 ))
   (( segid "IL13" and resid 51   and name HB1 ))
      3.500     3.500     0.000 peak  4201 weight  0.10000E+01 volume -0.27480E+01 ppm1      1.420 ppm2      1.799
 ASSI { 4202}
   (( segid "IL13" and resid 51   and name HB1 ))
   (  segid "IL13" and resid 51   and name HD1%)
      5.000     5.000     0.000 peak  4202 weight  0.10000E+01 volume -0.34500E+00 ppm1      1.799 ppm2      0.773
 ASSI { 4203}
   (( segid "IL13" and resid 51   and name HB2 ))
   (  segid "IL13" and resid 51   and name HD1%)
      5.000     5.000     0.000 peak  4203 weight  0.10000E+01 volume -0.29000E+00 ppm1      1.420 ppm2      0.773
 ASSI { 4204}
   (( segid "IL13" and resid 51   and name HB1 ))
   (  segid "IL13" and resid 51   and name HD2%)
      5.000     5.000     0.000 peak  4204 weight  0.10000E+01 volume -0.15500E+00 ppm1      1.799 ppm2      0.602
 ASSI { 4205}
   (( segid "IL13" and resid 51   and name HB2 ))
   (  segid "IL13" and resid 51   and name HD2%)
      5.000     5.000     0.000 peak  4205 weight  0.10000E+01 volume -0.19400E+00 ppm1      1.420 ppm2      0.602
 ASSI { 5128}
   (  segid "IL13" and resid 51   and name HD1%)
   (( segid "IL13" and resid 51   and name HA  ))
      5.000     5.000     0.000 peak  5128 weight  0.10000E+01 volume -0.17100E+00 ppm1      0.748 ppm2      3.974
 ASSI { 4443}
   (  segid "IL13" and resid 51   and name HD1%)
   (( segid "IL13" and resid 51   and name HG  ))
      5.000     5.000     0.000 peak  4443 weight  0.10000E+01 volume -0.64800E+00 ppm1      0.772 ppm2      1.775
 ASSI { 3617}
   (  segid "IL13" and resid 51   and name HD1%)
   (  segid "IL13" and resid 95   and name HE% )
      5.000     5.000     0.000 peak  3617 weight  0.10000E+01 volume -0.21900E+00 ppm1      0.772 ppm2      7.419
 ASSI { 4194}
   (  segid "IL13" and resid 51   and name HD2%)
   (( segid "IL13" and resid 51   and name HG  ))
      5.000     5.000     0.000 peak  4194 weight  0.10000E+01 volume -0.58500E+00 ppm1      0.601 ppm2      1.775
 ASSI { 5142}
   (  segid "IL13" and resid 51   and name HD2%)
   (  segid "IL13" and resid 54   and name HG1%)
      5.000     5.000     0.000 peak  5142 weight  0.10000E+01 volume -0.17800E+00 ppm1      0.601 ppm2      0.920
 ASSI { 5425}
   (  segid "IL13" and resid 51   and name HD2%)
   (  segid "IL13" and resid 95   and name HD% )
      5.000     5.000     0.000 peak  5425 weight  0.10000E+01 volume -0.50000E-01 ppm1      0.601 ppm2      7.102
 ASSI { 3746}
   (( segid "IL13" and resid 52   and name HA  ))
   (( segid "IL13" and resid 52   and name HB  ))
      3.500     3.500     0.000 peak  3746 weight  0.10000E+01 volume  0.13680E+01 ppm1      4.180 ppm2      2.005
 ASSI { 5157}
   (( segid "IL13" and resid 52   and name HA  ))
   (  segid "IL13" and resid 52   and name HD1%)
      5.000     5.000     0.000 peak  5157 weight  0.10000E+01 volume  0.59500E+00 ppm1      4.181 ppm2      0.856
 ASSI { 3742}
   (( segid "IL13" and resid 52   and name HA  ))
   (( segid "IL13" and resid 52   and name HG11))
      5.000     5.000     0.000 peak  3742 weight  0.10000E+01 volume  0.79100E+00 ppm1      4.179 ppm2      1.510
 ASSI { 3745}
   (( segid "IL13" and resid 52   and name HA  ))
   (( segid "IL13" and resid 52   and name HG12))
      5.000     5.000     0.000 peak  3745 weight  0.10000E+01 volume  0.44200E+00 ppm1      4.175 ppm2      1.345
 ASSI { 3753}
   (( segid "IL13" and resid 52   and name HB  ))
   (  segid "IL13" and resid 48   and name HD1%)
      5.000     5.000     0.000 peak  3753 weight  0.10000E+01 volume -0.77000E-01 ppm1      2.019 ppm2      1.066
 ASSI { 3751}
   (( segid "IL13" and resid 52   and name HB  ))
   (( segid "IL13" and resid 52   and name HG11))
      5.000     5.000     0.000 peak  3751 weight  0.10000E+01 volume -0.68400E+00 ppm1      2.007 ppm2      1.506
 ASSI { 3750}
   (( segid "IL13" and resid 52   and name HB  ))
   (( segid "IL13" and resid 52   and name HG12))
      5.000     5.000     0.000 peak  3750 weight  0.10000E+01 volume -0.80200E+00 ppm1      2.007 ppm2      1.360
 ASSI { 3763}
   (  segid "IL13" and resid 52   and name HD1%)
   (( segid "IL13" and resid 52   and name HB  ))
      5.000     5.000     0.000 peak  3763 weight  0.10000E+01 volume  0.52900E+00 ppm1      0.848 ppm2      2.010
 ASSI { 3764}
   (  segid "IL13" and resid 52   and name HD1%)
   (( segid "IL13" and resid 52   and name HG11))
      5.000     5.000     0.000 peak  3764 weight  0.10000E+01 volume  0.59200E+00 ppm1      0.845 ppm2      1.506
 ASSI { 3765}
   (  segid "IL13" and resid 52   and name HD1%)
   (( segid "IL13" and resid 52   and name HG12))
      5.000     5.000     0.000 peak  3765 weight  0.10000E+01 volume  0.69200E+00 ppm1      0.843 ppm2      1.350
 ASSI { 3766}
   (  segid "IL13" and resid 52   and name HD1%)
   (  segid "IL13" and resid 75   and name HG2%)
      5.000     5.000     0.000 peak  3766 weight  0.10000E+01 volume  0.67000E-01 ppm1      0.841 ppm2      1.060
 ASSI { 3756}
   (( segid "IL13" and resid 52   and name HG12))
   (( segid "IL13" and resid 52   and name HG11))
      3.500     3.500     0.000 peak  3756 weight  0.10000E+01 volume -0.44500E+01 ppm1      1.347 ppm2      1.506
 ASSI { 3600}
   (  segid "IL13" and resid 52   and name HG2%)
   (( segid "IL13" and resid 52   and name HB  ))
      5.000     5.000     0.000 peak  3600 weight  0.10000E+01 volume  0.71400E+00 ppm1      0.897 ppm2      2.010
 ASSI { 3770}
   (  segid "IL13" and resid 52   and name HG2%)
   (( segid "IL13" and resid 52   and name HG11))
      5.000     5.000     0.000 peak  3770 weight  0.10000E+01 volume  0.23800E+00 ppm1      0.893 ppm2      1.512
 ASSI { 3771}
   (  segid "IL13" and resid 52   and name HG2%)
   (( segid "IL13" and resid 52   and name HG12))
      5.000     5.000     0.000 peak  3771 weight  0.10000E+01 volume  0.38600E+00 ppm1      0.894 ppm2      1.336
 ASSI { 3772}
   (  segid "IL13" and resid 52   and name HG2%)
   (( segid "IL13" and resid 77   and name HA  ))
      5.000     5.000     0.000 peak  3772 weight  0.10000E+01 volume  0.54600E+00 ppm1      0.896 ppm2      4.086
 ASSI { 4033}
   (( segid "IL13" and resid 53   and name HA  ))
   (( segid "IL13" and resid 53   and name HB1 ))
      3.500     3.500     0.000 peak  4033 weight  0.10000E+01 volume  0.14140E+01 ppm1      4.657 ppm2      2.993
 ASSI { 4034}
   (( segid "IL13" and resid 53   and name HA  ))
   (( segid "IL13" and resid 53   and name HB2 ))
      5.000     5.000     0.000 peak  4034 weight  0.10000E+01 volume  0.94200E+00 ppm1      4.655 ppm2      2.669
 ASSI { 4096}
   (( segid "IL13" and resid 53   and name HA  ))
   (  segid "IL13" and resid 77   and name HB% )
      5.000     5.000     0.000 peak  4096 weight  0.10000E+01 volume  0.20800E+00 ppm1      4.657 ppm2      1.362
 ASSI { 3961}
   (( segid "IL13" and resid 53   and name HB2 ))
   (( segid "IL13" and resid 53   and name HB1 ))
      3.500     3.500     0.000 peak  3961 weight  0.10000E+01 volume -0.44860E+01 ppm1      2.667 ppm2      2.997
 ASSI { 3116}
   (( segid "IL13" and resid 54   and name HA  ))
   (( segid "IL13" and resid 54   and name HB  ))
      5.000     5.000     0.000 peak  3116 weight  0.10000E+01 volume  0.58900E+00 ppm1      4.050 ppm2      2.162
 ASSI { 4272}
   (( segid "IL13" and resid 54   and name HA  ))
   (  segid "IL13" and resid 54   and name HG1%)
      5.000     5.000     0.000 peak  4272 weight  0.10000E+01 volume  0.64300E+00 ppm1      4.047 ppm2      0.963
 ASSI { 4273}
   (( segid "IL13" and resid 54   and name HA  ))
   (  segid "IL13" and resid 54   and name HG2%)
      5.000     5.000     0.000 peak  4273 weight  0.10000E+01 volume  0.57200E+00 ppm1      4.046 ppm2      0.807
 ASSI {  211}
   (  segid "IL13" and resid 54   and name HG1%)
   (( segid "IL13" and resid 29   and name HB1 ))
      5.000     5.000     0.000 peak   211 weight  0.10000E+01 volume -0.13400E+00 ppm1      0.968 ppm2      3.534
 ASSI { 3903}
   (  segid "IL13" and resid 54   and name HG1%)
   (( segid "IL13" and resid 32   and name HB2 ))
      5.000     5.000     0.000 peak  3903 weight  0.10000E+01 volume -0.24600E+00 ppm1      0.968 ppm2      3.803
 ASSI { 3902}
   (  segid "IL13" and resid 54   and name HG1%)
   (( segid "IL13" and resid 57   and name HB2 ))
      5.000     5.000     0.000 peak  3902 weight  0.10000E+01 volume -0.19700E+00 ppm1      0.968 ppm2      3.046
 ASSI {  360}
   (  segid "IL13" and resid 54   and name HG2%)
   (( segid "IL13" and resid 32   and name HB2 ))
      5.000     5.000     0.000 peak   360 weight  0.10000E+01 volume -0.12700E+00 ppm1      0.809 ppm2      3.827
 OR {  360}
   (  segid "IL13" and resid 54   and name HG2%)
   (( segid "IL13" and resid 32   and name HB1 ))
 ASSI { 3910}
   (  segid "IL13" and resid 54   and name HG2%)
   (( segid "IL13" and resid 54   and name HB  ))
      5.000     5.000     0.000 peak  3910 weight  0.10000E+01 volume -0.52200E+00 ppm1      0.809 ppm2      2.141
 ASSI { 4294}
   (( segid "IL13" and resid 55   and name HA  ))
   (( segid "IL13" and resid 55   and name HB1 ))
      3.500     3.500     0.000 peak  4294 weight  0.10000E+01 volume  0.35690E+01 ppm1      4.751 ppm2      3.811
 OR { 4294}
   (( segid "IL13" and resid 55   and name HA  ))
   (( segid "IL13" and resid 55   and name HB2 ))
 ASSI { 4405}
   (( segid "IL13" and resid 57   and name HA  ))
   (( segid "IL13" and resid 57   and name HB1 ))
      3.500     3.500     0.000 peak  4405 weight  0.10000E+01 volume  0.11930E+01 ppm1      4.843 ppm2      3.174
 ASSI { 4404}
   (( segid "IL13" and resid 57   and name HA  ))
   (( segid "IL13" and resid 57   and name HB2 ))
      3.500     3.500     0.000 peak  4404 weight  0.10000E+01 volume  0.17680E+01 ppm1      4.843 ppm2      3.050
 ASSI { 4424}
   (( segid "IL13" and resid 58   and name HA  ))
   (( segid "IL13" and resid 58   and name HB2 ))
      2.700     2.700     0.000 peak  4424 weight  0.10000E+01 volume  0.50590E+01 ppm1      4.218 ppm2      3.935
 OR { 4424}
   (( segid "IL13" and resid 58   and name HA  ))
   (( segid "IL13" and resid 58   and name HB1 ))
 ASSI { 4288}
   (( segid "IL13" and resid 59   and name HA  ))
   (  segid "IL13" and resid 59   and name HB% )
      3.500     3.500     0.000 peak  4288 weight  0.10000E+01 volume  0.16030E+01 ppm1      4.261 ppm2      1.479
 ASSI { 3773}
   (( segid "IL13" and resid 60   and name HA  ))
   (( segid "IL13" and resid 60   and name HB  ))
      3.500     3.500     0.000 peak  3773 weight  0.10000E+01 volume  0.16480E+01 ppm1      4.582 ppm2      2.019
 ASSI { 3774}
   (( segid "IL13" and resid 60   and name HA  ))
   (( segid "IL13" and resid 60   and name HG11))
      5.000     5.000     0.000 peak  3774 weight  0.10000E+01 volume  0.53500E+00 ppm1      4.580 ppm2      1.488
 ASSI { 3775}
   (( segid "IL13" and resid 60   and name HA  ))
   (  segid "IL13" and resid 60   and name HG2%)
      3.500     3.500     0.000 peak  3775 weight  0.10000E+01 volume  0.12740E+01 ppm1      4.582 ppm2      0.970
 ASSI { 3541}
   (( segid "IL13" and resid 60   and name HB  ))
   (( segid "IL13" and resid 60   and name HG11))
      5.000     5.000     0.000 peak  3541 weight  0.10000E+01 volume -0.55300E+00 ppm1      2.019 ppm2      1.506
 ASSI { 4797}
   (( segid "IL13" and resid 60   and name HB  ))
   (( segid "IL13" and resid 60   and name HG12))
      5.000     5.000     0.000 peak  4797 weight  0.10000E+01 volume -0.61600E+00 ppm1      2.032 ppm2      1.360
 ASSI { 5144}
   (  segid "IL13" and resid 60   and name HD1%)
   (  segid "IL13" and resid 51   and name HD2%)
      5.000     5.000     0.000 peak  5144 weight  0.10000E+01 volume  0.24000E-01 ppm1      0.947 ppm2      0.605
 ASSI { 3782}
   (  segid "IL13" and resid 60   and name HD1%)
   (( segid "IL13" and resid 60   and name HA  ))
      5.000     5.000     0.000 peak  3782 weight  0.10000E+01 volume  0.26800E+00 ppm1      0.959 ppm2      4.583
 ASSI { 3784}
   (  segid "IL13" and resid 60   and name HD1%)
   (( segid "IL13" and resid 60   and name HB  ))
      5.000     5.000     0.000 peak  3784 weight  0.10000E+01 volume  0.34000E+00 ppm1      0.955 ppm2      2.021
 ASSI { 3787}
   (  segid "IL13" and resid 60   and name HD1%)
   (( segid "IL13" and resid 60   and name HG11))
      5.000     5.000     0.000 peak  3787 weight  0.10000E+01 volume  0.53000E+00 ppm1      0.953 ppm2      1.502
 ASSI { 3786}
   (  segid "IL13" and resid 60   and name HD1%)
   (( segid "IL13" and resid 60   and name HG12))
      5.000     5.000     0.000 peak  3786 weight  0.10000E+01 volume  0.60400E+00 ppm1      0.952 ppm2      1.378
 ASSI { 3779}
   (( segid "IL13" and resid 60   and name HG11))
   (( segid "IL13" and resid 60   and name HG12))
      3.500     3.500     0.000 peak  3779 weight  0.10000E+01 volume -0.22360E+01 ppm1      1.506 ppm2      1.360
 ASSI { 3780}
   (( segid "IL13" and resid 60   and name HG11))
   (  segid "IL13" and resid 60   and name HG2%)
      5.000     5.000     0.000 peak  3780 weight  0.10000E+01 volume -0.60400E+00 ppm1      1.506 ppm2      0.969
 ASSI { 3781}
   (( segid "IL13" and resid 60   and name HG12))
   (  segid "IL13" and resid 60   and name HG2%)
      5.000     5.000     0.000 peak  3781 weight  0.10000E+01 volume -0.53200E+00 ppm1      1.372 ppm2      0.969
 ASSI { 4418}
   (( segid "IL13" and resid 61   and name HA  ))
   (( segid "IL13" and resid 61   and name HB1 ))
      3.500     3.500     0.000 peak  4418 weight  0.10000E+01 volume  0.20830E+01 ppm1      4.166 ppm2      2.121
 OR { 4418}
   (( segid "IL13" and resid 61   and name HA  ))
   (( segid "IL13" and resid 61   and name HB2 ))
 ASSI { 4419}
   (( segid "IL13" and resid 61   and name HA  ))
   (( segid "IL13" and resid 61   and name HG1 ))
      5.000     5.000     0.000 peak  4419 weight  0.10000E+01 volume  0.94800E+00 ppm1      4.168 ppm2      2.567
 ASSI { 4252}
   (( segid "IL13" and resid 61   and name HA  ))
   (( segid "IL13" and resid 61   and name HG2 ))
      3.500     3.500     0.000 peak  4252 weight  0.10000E+01 volume  0.11830E+01 ppm1      4.166 ppm2      2.278
 ASSI { 5905}
   (( segid "IL13" and resid 61   and name HA  ))
   (( segid "IL13" and resid 64   and name HB2 ))
      5.000     5.000     0.000 peak  5905 weight  0.10000E+01 volume  0.49700E+00 ppm1      4.173 ppm2      1.902
 ASSI { 4410}
   (( segid "IL13" and resid 61   and name HG1 ))
   (( segid "IL13" and resid 58   and name HA  ))
      3.500     3.500     0.000 peak  4410 weight  0.10000E+01 volume -0.13860E+01 ppm1      2.557 ppm2      4.194
 ASSI { 4331}
   (( segid "IL13" and resid 62   and name HB1 ))
   (( segid "IL13" and resid 62   and name HA  ))
      3.500     3.500     0.000 peak  4331 weight  0.10000E+01 volume -0.11780E+01 ppm1      1.971 ppm2      3.999
 ASSI { 4332}
   (( segid "IL13" and resid 62   and name HB2 ))
   (( segid "IL13" and resid 62   and name HA  ))
      3.500     3.500     0.000 peak  4332 weight  0.10000E+01 volume -0.11460E+01 ppm1      1.873 ppm2      3.999
 ASSI { 3679}
   (( segid "IL13" and resid 63   and name HB  ))
   (( segid "IL13" and resid 60   and name HB  ))
      5.000     5.000     0.000 peak  3679 weight  0.10000E+01 volume  0.43700E+00 ppm1      4.196 ppm2      2.027
 ASSI { 3678}
   (( segid "IL13" and resid 63   and name HB  ))
   (  segid "IL13" and resid 63   and name HG2%)
      3.500     3.500     0.000 peak  3678 weight  0.10000E+01 volume  0.11550E+01 ppm1      4.194 ppm2      0.987
 ASSI { 4062}
   (( segid "IL13" and resid 64   and name HB1 ))
   (( segid "IL13" and resid 61   and name HA  ))
      5.000     5.000     0.000 peak  4062 weight  0.10000E+01 volume -0.62500E+00 ppm1      2.655 ppm2      4.170
 ASSI { 5912}
   (( segid "IL13" and resid 64   and name HB2 ))
   (( segid "IL13" and resid 64   and name HA  ))
      5.000     5.000     0.000 peak  5912 weight  0.10000E+01 volume -0.57600E+00 ppm1      1.897 ppm2      3.730
 ASSI { 4064}
   (( segid "IL13" and resid 64   and name HB2 ))
   (( segid "IL13" and resid 64   and name HB1 ))
      3.500     3.500     0.000 peak  4064 weight  0.10000E+01 volume -0.23700E+01 ppm1      1.909 ppm2      2.655
 ASSI { 5965}
   (( segid "IL13" and resid 64   and name HG1 ))
   (( segid "IL13" and resid 64   and name HA  ))
      5.000     5.000     0.000 peak  5965 weight  0.10000E+01 volume -0.45400E+00 ppm1      2.582 ppm2      3.730
 ASSI { 5964}
   (( segid "IL13" and resid 64   and name HG2 ))
   (( segid "IL13" and resid 64   and name HA  ))
      5.000     5.000     0.000 peak  5964 weight  0.10000E+01 volume -0.46400E+00 ppm1      1.848 ppm2      3.730
 ASSI { 4338}
   (( segid "IL13" and resid 64   and name HG2 ))
   (( segid "IL13" and resid 64   and name HG1 ))
      3.500     3.500     0.000 peak  4338 weight  0.10000E+01 volume -0.23970E+01 ppm1      1.848 ppm2      2.581
 ASSI { 3854}
   (( segid "IL13" and resid 65   and name HB1 ))
   (( segid "IL13" and resid 65   and name HA  ))
      3.500     3.500     0.000 peak  3854 weight  0.10000E+01 volume -0.13470E+01 ppm1      2.081 ppm2      4.047
 ASSI { 3656}
   (( segid "IL13" and resid 65   and name HD2 ))
   (( segid "IL13" and resid 65   and name HB2 ))
      5.000     5.000     0.000 peak  3656 weight  0.10000E+01 volume -0.68500E+00 ppm1      3.205 ppm2      1.995
 ASSI { 3657}
   (( segid "IL13" and resid 65   and name HD2 ))
   (( segid "IL13" and resid 65   and name HG1 ))
      5.000     5.000     0.000 peak  3657 weight  0.10000E+01 volume -0.67500E+00 ppm1      3.205 ppm2      1.873
 ASSI { 4438}
   (( segid "IL13" and resid 65   and name HG2 ))
   (( segid "IL13" and resid 65   and name HA  ))
      5.000     5.000     0.000 peak  4438 weight  0.10000E+01 volume -0.58600E+00 ppm1      1.653 ppm2      4.047
 ASSI { 4437}
   (( segid "IL13" and resid 65   and name HG2 ))
   (( segid "IL13" and resid 65   and name HD2 ))
      5.000     5.000     0.000 peak  4437 weight  0.10000E+01 volume -0.93500E+00 ppm1      1.653 ppm2      3.241
 OR { 4437}
   (( segid "IL13" and resid 65   and name HG2 ))
   (( segid "IL13" and resid 65   and name HD1 ))
 ASSI { 4003}
   (( segid "IL13" and resid 66   and name HA  ))
   (( segid "IL13" and resid 66   and name HG1 ))
      5.000     5.000     0.000 peak  4003 weight  0.10000E+01 volume  0.62900E+00 ppm1      4.105 ppm2      2.967
 ASSI { 3579}
   (( segid "IL13" and resid 66   and name HA  ))
   (( segid "IL13" and resid 66   and name HG2 ))
      5.000     5.000     0.000 peak  3579 weight  0.10000E+01 volume  0.10020E+01 ppm1      4.099 ppm2      2.476
 ASSI { 4009}
   (( segid "IL13" and resid 66   and name HB1 ))
   (( segid "IL13" and resid 66   and name HA  ))
      5.000     5.000     0.000 peak  4009 weight  0.10000E+01 volume -0.62000E+00 ppm1      2.203 ppm2      4.096
 ASSI { 4010}
   (( segid "IL13" and resid 66   and name HB2 ))
   (( segid "IL13" and resid 66   and name HG1 ))
      5.000     5.000     0.000 peak  4010 weight  0.10000E+01 volume -0.51600E+00 ppm1      2.191 ppm2      2.948
 OR { 4010}
   (( segid "IL13" and resid 66   and name HB1 ))
   (( segid "IL13" and resid 66   and name HG1 ))
 ASSI { 5411}
   (  segid "IL13" and resid 66   and name HE% )
   (( segid "IL13" and resid 66   and name HG1 ))
      5.000     5.000     0.000 peak  5411 weight  0.10000E+01 volume  0.51000E+00 ppm1      2.095 ppm2      2.952
 ASSI { 4008}
   (( segid "IL13" and resid 66   and name HG1 ))
   (( segid "IL13" and resid 66   and name HB1 ))
      5.000     5.000     0.000 peak  4008 weight  0.10000E+01 volume -0.98700E+00 ppm1      2.973 ppm2      2.215
 ASSI { 4004}
   (( segid "IL13" and resid 66   and name HG2 ))
   (( segid "IL13" and resid 66   and name HG1 ))
      3.500     3.500     0.000 peak  4004 weight  0.10000E+01 volume -0.19490E+01 ppm1      2.472 ppm2      2.972
 ASSI { 4370}
   (( segid "IL13" and resid 67   and name HA  ))
   (( segid "IL13" and resid 67   and name HB1 ))
      5.000     5.000     0.000 peak  4370 weight  0.10000E+01 volume  0.74000E+00 ppm1      4.234 ppm2      2.196
 ASSI { 4372}
   (( segid "IL13" and resid 67   and name HA  ))
   (( segid "IL13" and resid 67   and name HB2 ))
      5.000     5.000     0.000 peak  4372 weight  0.10000E+01 volume  0.72600E+00 ppm1      4.215 ppm2      1.579
 ASSI { 4373}
   (( segid "IL13" and resid 67   and name HA  ))
   (  segid "IL13" and resid 67   and name HD2%)
      5.000     5.000     0.000 peak  4373 weight  0.10000E+01 volume  0.65900E+00 ppm1      4.228 ppm2      1.096
 ASSI { 3638}
   (( segid "IL13" and resid 67   and name HA  ))
   (  segid "IL13" and resid 70   and name HD% )
      5.000     5.000     0.000 peak  3638 weight  0.10000E+01 volume  0.27000E+00 ppm1      4.229 ppm2      6.922
 ASSI { 3646}
   (( segid "IL13" and resid 67   and name HB1 ))
   (( segid "IL13" and resid 67   and name HB2 ))
      3.500     3.500     0.000 peak  3646 weight  0.10000E+01 volume -0.19840E+01 ppm1      2.203 ppm2      1.579
 ASSI { 3648}
   (( segid "IL13" and resid 67   and name HB1 ))
   (  segid "IL13" and resid 67   and name HD1%)
      5.000     5.000     0.000 peak  3648 weight  0.10000E+01 volume -0.27200E+00 ppm1      2.203 ppm2      0.871
 ASSI { 3647}
   (( segid "IL13" and resid 67   and name HB1 ))
   (  segid "IL13" and resid 67   and name HD2%)
      5.000     5.000     0.000 peak  3647 weight  0.10000E+01 volume -0.37800E+00 ppm1      2.203 ppm2      1.091
 ASSI { 3650}
   (( segid "IL13" and resid 67   and name HB2 ))
   (  segid "IL13" and resid 67   and name HD2%)
      5.000     5.000     0.000 peak  3650 weight  0.10000E+01 volume -0.40600E+00 ppm1      1.579 ppm2      1.091
 ASSI { 3652}
   (( segid "IL13" and resid 67   and name HB1 ))
   (( segid "IL13" and resid 67   and name HG  ))
      5.000     5.000     0.000 peak  3652 weight  0.10000E+01 volume -0.51500E+00 ppm1      2.191 ppm2      2.019
 ASSI { 3651}
   (( segid "IL13" and resid 67   and name HB2 ))
   (( segid "IL13" and resid 67   and name HG  ))
      5.000     5.000     0.000 peak  3651 weight  0.10000E+01 volume -0.48100E+00 ppm1      1.567 ppm2      2.019
 ASSI { 4385}
   (  segid "IL13" and resid 67   and name HD1%)
   (( segid "IL13" and resid 67   and name HG  ))
      5.000     5.000     0.000 peak  4385 weight  0.10000E+01 volume -0.32800E+00 ppm1      0.870 ppm2      1.995
 ASSI { 4046}
   (( segid "IL13" and resid 67   and name HG  ))
   (  segid "IL13" and resid 67   and name HD2%)
      5.000     5.000     0.000 peak  4046 weight  0.10000E+01 volume -0.24000E+00 ppm1      1.995 ppm2      1.091
 ASSI { 4389}
   (( segid "IL13" and resid 68   and name HB1 ))
   (( segid "IL13" and resid 68   and name HA  ))
      3.500     3.500     0.000 peak  4389 weight  0.10000E+01 volume  0.17510E+01 ppm1      4.111 ppm2      4.245
 ASSI { 4388}
   (( segid "IL13" and resid 68   and name HB2 ))
   (( segid "IL13" and resid 68   and name HA  ))
      3.500     3.500     0.000 peak  4388 weight  0.10000E+01 volume  0.18550E+01 ppm1      4.032 ppm2      4.258
 ASSI { 3670}
   (( segid "IL13" and resid 69   and name HA2 ))
   (( segid "IL13" and resid 69   and name HA1 ))
      3.500     3.500     0.000 peak  3670 weight  0.10000E+01 volume -0.31610E+01 ppm1      3.658 ppm2      3.999
 ASSI { 3945}
   (( segid "IL13" and resid 70   and name HA  ))
   (( segid "IL13" and resid 70   and name HB1 ))
      3.500     3.500     0.000 peak  3945 weight  0.10000E+01 volume  0.10280E+01 ppm1      4.305 ppm2      2.611
 OR { 3945}
   (( segid "IL13" and resid 70   and name HA  ))
   (( segid "IL13" and resid 70   and name HB2 ))
 ASSI { 4253}
   (( segid "IL13" and resid 70   and name HA  ))
   (  segid "IL13" and resid 70   and name HD% )
      5.000     5.000     0.000 peak  4253 weight  0.10000E+01 volume  0.55400E+00 ppm1      4.313 ppm2      6.916
 ASSI { 4321}
   (( segid "IL13" and resid 71   and name HA  ))
   (( segid "IL13" and resid 71   and name HB1 ))
      5.000     5.000     0.000 peak  4321 weight  0.10000E+01 volume  0.57100E+00 ppm1      5.218 ppm2      3.319
 ASSI { 4322}
   (( segid "IL13" and resid 71   and name HA  ))
   (( segid "IL13" and resid 71   and name HB2 ))
      5.000     5.000     0.000 peak  4322 weight  0.10000E+01 volume  0.78000E+00 ppm1      5.221 ppm2      2.456
 ASSI { 4307}
   (( segid "IL13" and resid 71   and name HA  ))
   (( segid "IL13" and resid 72   and name HD1 ))
      3.500     3.500     0.000 peak  4307 weight  0.10000E+01 volume  0.13110E+01 ppm1      5.218 ppm2      3.875
 ASSI { 4306}
   (( segid "IL13" and resid 71   and name HA  ))
   (( segid "IL13" and resid 72   and name HD2 ))
      3.500     3.500     0.000 peak  4306 weight  0.10000E+01 volume  0.14260E+01 ppm1      5.215 ppm2      3.779
 ASSI { 3585}
   (( segid "IL13" and resid 71   and name HB1 ))
   (  segid "IL13" and resid 48   and name HD2%)
      5.000     5.000     0.000 peak  3585 weight  0.10000E+01 volume -0.19400E+00 ppm1      3.340 ppm2      1.042
 ASSI { 3583}
   (( segid "IL13" and resid 71   and name HB2 ))
   (  segid "IL13" and resid 48   and name HD2%)
      5.000     5.000     0.000 peak  3583 weight  0.10000E+01 volume -0.18000E+00 ppm1      2.460 ppm2      1.042
 ASSI { 3582}
   (( segid "IL13" and resid 71   and name HB2 ))
   (( segid "IL13" and resid 71   and name HB1 ))
      3.500     3.500     0.000 peak  3582 weight  0.10000E+01 volume -0.23310E+01 ppm1      2.460 ppm2      3.339
 ASSI { 4149}
   (( segid "IL13" and resid 72   and name HA  ))
   (( segid "IL13" and resid 72   and name HB1 ))
      3.500     3.500     0.000 peak  4149 weight  0.10000E+01 volume  0.21010E+01 ppm1      4.564 ppm2      2.216
 ASSI { 4148}
   (( segid "IL13" and resid 72   and name HA  ))
   (( segid "IL13" and resid 72   and name HB2 ))
      3.500     3.500     0.000 peak  4148 weight  0.10000E+01 volume  0.15750E+01 ppm1      4.564 ppm2      2.058
 ASSI { 4150}
   (( segid "IL13" and resid 72   and name HB1 ))
   (( segid "IL13" and resid 72   and name HD1 ))
      3.500     3.500     0.000 peak  4150 weight  0.10000E+01 volume -0.12430E+01 ppm1      2.215 ppm2      3.852
 ASSI { 4292}
   (( segid "IL13" and resid 72   and name HG1 ))
   (( segid "IL13" and resid 72   and name HG2 ))
      3.500     3.500     0.000 peak  4292 weight  0.10000E+01 volume -0.32640E+01 ppm1      2.068 ppm2      1.824
 ASSI { 6095}
   (( segid "IL13" and resid 73   and name HA  ))
   (( segid "IL13" and resid 73   and name HB1 ))
      3.500     3.500     0.000 peak  6095 weight  0.10000E+01 volume  0.31930E+01 ppm1      4.936 ppm2      3.173
 ASSI { 6428}
   (( segid "IL13" and resid 73   and name HD2 ))
   (( segid "IL13" and resid 73   and name HB2 ))
      5.000     5.000     0.000 peak  6428 weight  0.10000E+01 volume  0.33900E+00 ppm1      7.156 ppm2      3.166
 ASSI { 4654}
   (( segid "IL13" and resid 74   and name HA  ))
   (( segid "IL13" and resid 74   and name HG1 ))
      5.000     5.000     0.000 peak  4654 weight  0.10000E+01 volume  0.57500E+00 ppm1      4.333 ppm2      1.459
 ASSI { 3987}
   (( segid "IL13" and resid 74   and name HB2 ))
   (( segid "IL13" and resid 74   and name HG1 ))
      3.500     3.500     0.000 peak  3987 weight  0.10000E+01 volume -0.22400E+01 ppm1      1.812 ppm2      1.482
 OR { 3987}
   (( segid "IL13" and resid 74   and name HB1 ))
   (( segid "IL13" and resid 74   and name HG1 ))
 ASSI { 3923}
   (( segid "IL13" and resid 75   and name HA  ))
   (( segid "IL13" and resid 75   and name HB  ))
      5.000     5.000     0.000 peak  3923 weight  0.10000E+01 volume  0.69500E+00 ppm1      4.427 ppm2      2.010
 ASSI { 3922}
   (( segid "IL13" and resid 75   and name HA  ))
   (  segid "IL13" and resid 75   and name HG2%)
      5.000     5.000     0.000 peak  3922 weight  0.10000E+01 volume  0.64000E+00 ppm1      4.425 ppm2      1.019
 ASSI { 4415}
   (( segid "IL13" and resid 75   and name HB  ))
   (  segid "IL13" and resid 75   and name HG2%)
      5.000     5.000     0.000 peak  4415 weight  0.10000E+01 volume -0.81200E+00 ppm1      2.019 ppm2      1.017
 ASSI { 3914}
   (  segid "IL13" and resid 75   and name HG1%)
   (( segid "IL13" and resid 49   and name HA  ))
      5.000     5.000     0.000 peak  3914 weight  0.10000E+01 volume -0.37100E+00 ppm1      0.956 ppm2      3.827
 ASSI { 3916}
   (  segid "IL13" and resid 75   and name HG1%)
   (( segid "IL13" and resid 75   and name HB  ))
      5.000     5.000     0.000 peak  3916 weight  0.10000E+01 volume -0.79900E+00 ppm1      0.956 ppm2      2.019
 ASSI { 5420}
   (( segid "IL13" and resid 76   and name HA  ))
   (  segid "IL13" and resid 52   and name HD1%)
      5.000     5.000     0.000 peak  5420 weight  0.10000E+01 volume  0.14000E+00 ppm1      4.631 ppm2      0.854
 ASSI { 4300}
   (( segid "IL13" and resid 76   and name HA  ))
   (( segid "IL13" and resid 76   and name HB1 ))
      3.500     3.500     0.000 peak  4300 weight  0.10000E+01 volume  0.18290E+01 ppm1      4.633 ppm2      3.794
 ASSI { 4301}
   (( segid "IL13" and resid 76   and name HA  ))
   (( segid "IL13" and resid 76   and name HB2 ))
      3.500     3.500     0.000 peak  4301 weight  0.10000E+01 volume  0.12750E+01 ppm1      4.633 ppm2      3.660
 ASSI { 4382}
   (( segid "IL13" and resid 77   and name HA  ))
   (  segid "IL13" and resid 77   and name HB% )
      3.500     3.500     0.000 peak  4382 weight  0.10000E+01 volume  0.11340E+01 ppm1      4.086 ppm2      1.360
 ASSI { 3672}
   (( segid "IL13" and resid 78   and name HA2 ))
   (( segid "IL13" and resid 78   and name HA1 ))
      2.700     2.700     0.000 peak  3672 weight  0.10000E+01 volume -0.52330E+01 ppm1      3.731 ppm2      4.121
 ASSI { 4190}
   (( segid "IL13" and resid 79   and name HA  ))
   (( segid "IL13" and resid 79   and name HB1 ))
      3.500     3.500     0.000 peak  4190 weight  0.10000E+01 volume  0.19200E+01 ppm1      4.317 ppm2      1.945
 ASSI { 3960}
   (( segid "IL13" and resid 80   and name HA  ))
   (( segid "IL13" and resid 80   and name HB1 ))
      3.500     3.500     0.000 peak  3960 weight  0.10000E+01 volume  0.10630E+01 ppm1      4.784 ppm2      3.153
 ASSI { 4366}
   (( segid "IL13" and resid 80   and name HA  ))
   (( segid "IL13" and resid 80   and name HB2 ))
      3.500     3.500     0.000 peak  4366 weight  0.10000E+01 volume  0.12710E+01 ppm1      4.778 ppm2      2.855
 ASSI { 3956}
   (( segid "IL13" and resid 80   and name HB1 ))
   (  segid "IL13" and resid 80   and name HD% )
      3.500     3.500     0.000 peak  3956 weight  0.10000E+01 volume -0.10720E+01 ppm1      3.156 ppm2      7.224
 ASSI { 6077}
   (  segid "IL13" and resid 80   and name HD% )
   (( segid "IL13" and resid 80   and name HB2 ))
      5.000     5.000     0.000 peak  6077 weight  0.10000E+01 volume -0.33500E+00 ppm1      7.215 ppm2      2.850
 ASSI { 4376}
   (  segid "IL13" and resid 80   and name HD% )
   (  segid "IL13" and resid 80   and name HE% )
      3.500     3.500     0.000 peak  4376 weight  0.10000E+01 volume -0.36680E+01 ppm1      7.228 ppm2      7.419
 ASSI { 6258}
   (  segid "IL13" and resid 80   and name HD% )
   (  segid "IL13" and resid 83   and name HD2%)
      5.000     5.000     0.000 peak  6258 weight  0.10000E+01 volume -0.29000E-01 ppm1      7.215 ppm2      0.773
 ASSI { 3690}
   (( segid "IL13" and resid 83   and name HB1 ))
   (( segid "IL13" and resid 83   and name HA  ))
      5.000     5.000     0.000 peak  3690 weight  0.10000E+01 volume -0.62500E+00 ppm1      1.604 ppm2      4.218
 ASSI { 3687}
   (( segid "IL13" and resid 83   and name HB2 ))
   (( segid "IL13" and resid 83   and name HA  ))
      5.000     5.000     0.000 peak  3687 weight  0.10000E+01 volume -0.81500E+00 ppm1      1.457 ppm2      4.218
 ASSI { 4263}
   (( segid "IL13" and resid 83   and name HB2 ))
   (  segid "IL13" and resid 83   and name HD1%)
      5.000     5.000     0.000 peak  4263 weight  0.10000E+01 volume -0.30100E+00 ppm1      1.469 ppm2      0.871
 ASSI { 3627}
   (  segid "IL13" and resid 83   and name HD2%)
   (( segid "IL13" and resid 83   and name HA  ))
      5.000     5.000     0.000 peak  3627 weight  0.10000E+01 volume -0.40200E+00 ppm1      0.785 ppm2      4.218
 ASSI { 4326}
   (( segid "IL13" and resid 84   and name HA  ))
   (( segid "IL13" and resid 84   and name HB1 ))
      5.000     5.000     0.000 peak  4326 weight  0.10000E+01 volume  0.95800E+00 ppm1      4.526 ppm2      2.817
 ASSI { 4327}
   (( segid "IL13" and resid 84   and name HA  ))
   (( segid "IL13" and resid 84   and name HB2 ))
      5.000     5.000     0.000 peak  4327 weight  0.10000E+01 volume  0.84200E+00 ppm1      4.525 ppm2      2.671
 ASSI {  445}
   (( segid "IL13" and resid 84   and name HB2 ))
   (( segid "IL13" and resid 84   and name HB1 ))
      3.500     3.500     0.000 peak   445 weight  0.10000E+01 volume -0.15110E+01 ppm1      2.667 ppm2      2.826
 ASSI { 3544}
   (( segid "IL13" and resid 85   and name HA  ))
   (( segid "IL13" and resid 85   and name HB  ))
      5.000     5.000     0.000 peak  3544 weight  0.10000E+01 volume  0.91100E+00 ppm1      3.925 ppm2      1.987
 ASSI { 4049}
   (( segid "IL13" and resid 85   and name HB  ))
   (  segid "IL13" and resid 85   and name HG1%)
      3.500     3.500     0.000 peak  4049 weight  0.10000E+01 volume -0.11010E+01 ppm1      1.995 ppm2      0.871
 OR { 4049}
   (( segid "IL13" and resid 85   and name HB  ))
   (  segid "IL13" and resid 85   and name HG2%)
 ASSI { 4255}
   (( segid "IL13" and resid 87   and name HA  ))
   (( segid "IL13" and resid 87   and name HB1 ))
      3.500     3.500     0.000 peak  4255 weight  0.10000E+01 volume  0.12160E+01 ppm1      4.782 ppm2      2.808
 ASSI { 4014}
   (( segid "IL13" and resid 87   and name HA  ))
   (( segid "IL13" and resid 87   and name HB2 ))
      3.500     3.500     0.000 peak  4014 weight  0.10000E+01 volume  0.13690E+01 ppm1      4.782 ppm2      2.678
 ASSI { 4256}
   (( segid "IL13" and resid 87   and name HB2 ))
   (( segid "IL13" and resid 87   and name HB1 ))
      3.500     3.500     0.000 peak  4256 weight  0.10000E+01 volume -0.37890E+01 ppm1      2.680 ppm2      2.801
 ASSI { 4192}
   (( segid "IL13" and resid 88   and name HA  ))
   (( segid "IL13" and resid 88   and name HB  ))
      3.500     3.500     0.000 peak  4192 weight  0.10000E+01 volume  0.13870E+01 ppm1      4.625 ppm2      4.147
 ASSI { 4191}
   (( segid "IL13" and resid 88   and name HA  ))
   (  segid "IL13" and resid 88   and name HG2%)
      5.000     5.000     0.000 peak  4191 weight  0.10000E+01 volume  0.63500E+00 ppm1      4.626 ppm2      1.239
 ASSI { 3586}
   (( segid "IL13" and resid 88   and name HB  ))
   (  segid "IL13" and resid 88   and name HG2%)
      3.500     3.500     0.000 peak  3586 weight  0.10000E+01 volume  0.11940E+01 ppm1      4.149 ppm2      1.238
 ASSI { 4310}
   (( segid "IL13" and resid 89   and name HA  ))
   (( segid "IL13" and resid 89   and name HB2 ))
      5.000     5.000     0.000 peak  4310 weight  0.10000E+01 volume  0.67900E+00 ppm1      4.897 ppm2      1.243
 ASSI { 4311}
   (( segid "IL13" and resid 89   and name HA  ))
   (( segid "IL13" and resid 89   and name HG1 ))
      5.000     5.000     0.000 peak  4311 weight  0.10000E+01 volume  0.52900E+00 ppm1      4.900 ppm2      0.814
 ASSI { 4346}
   (( segid "IL13" and resid 89   and name HA  ))
   (( segid "IL13" and resid 89   and name HG2 ))
      5.000     5.000     0.000 peak  4346 weight  0.10000E+01 volume  0.49800E+00 ppm1      4.902 ppm2      0.214
 ASSI { 3792}
   (( segid "IL13" and resid 89   and name HG2 ))
   (( segid "IL13" and resid 89   and name HG1 ))
      3.500     3.500     0.000 peak  3792 weight  0.10000E+01 volume -0.18940E+01 ppm1      0.222 ppm2      0.822
 ASSI { 3788}
   (( segid "IL13" and resid 90   and name HA  ))
   (( segid "IL13" and resid 90   and name HB  ))
      3.500     3.500     0.000 peak  3788 weight  0.10000E+01 volume  0.27450E+01 ppm1      4.682 ppm2      1.926
 ASSI {  295}
   (( segid "IL13" and resid 90   and name HA  ))
   (( segid "IL13" and resid 90   and name HG11))
      5.000     5.000     0.000 peak   295 weight  0.10000E+01 volume  0.44900E+00 ppm1      4.681 ppm2      1.451
 ASSI {  293}
   (( segid "IL13" and resid 90   and name HA  ))
   (( segid "IL13" and resid 90   and name HG12))
      5.000     5.000     0.000 peak   293 weight  0.10000E+01 volume  0.40000E+00 ppm1      4.687 ppm2      1.212
 ASSI { 3789}
   (( segid "IL13" and resid 90   and name HA  ))
   (  segid "IL13" and resid 90   and name HG2%)
      3.500     3.500     0.000 peak  3789 weight  0.10000E+01 volume  0.10960E+01 ppm1      4.682 ppm2      0.962
 ASSI { 3573}
   (( segid "IL13" and resid 90   and name HB  ))
   (  segid "IL13" and resid 90   and name HD1%)
      3.500     3.500     0.000 peak  3573 weight  0.10000E+01 volume -0.10360E+01 ppm1      1.946 ppm2      0.969
 ASSI { 3574}
   (( segid "IL13" and resid 90   and name HB  ))
   (( segid "IL13" and resid 90   and name HG11))
      5.000     5.000     0.000 peak  3574 weight  0.10000E+01 volume -0.69400E+00 ppm1      1.946 ppm2      1.457
 ASSI { 3575}
   (( segid "IL13" and resid 90   and name HB  ))
   (( segid "IL13" and resid 90   and name HG12))
      5.000     5.000     0.000 peak  3575 weight  0.10000E+01 volume -0.53900E+00 ppm1      1.946 ppm2      1.213
 ASSI {  376}
   (( segid "IL13" and resid 90   and name HB  ))
   (( segid "IL13" and resid 94   and name HB1 ))
      5.000     5.000     0.000 peak   376 weight  0.10000E+01 volume -0.35200E+00 ppm1      1.946 ppm2      2.337
 ASSI { 3576}
   (( segid "IL13" and resid 90   and name HB  ))
   (( segid "IL13" and resid 94   and name HG1 ))
      5.000     5.000     0.000 peak  3576 weight  0.10000E+01 volume -0.43100E+00 ppm1      1.946 ppm2      2.484
 ASSI { 4080}
   (  segid "IL13" and resid 90   and name HD1%)
   (( segid "IL13" and resid 36   and name HA  ))
      5.000     5.000     0.000 peak  4080 weight  0.10000E+01 volume  0.23100E+00 ppm1      0.954 ppm2      4.553
 ASSI { 4077}
   (  segid "IL13" and resid 90   and name HD1%)
   (( segid "IL13" and resid 90   and name HG11))
      5.000     5.000     0.000 peak  4077 weight  0.10000E+01 volume  0.84800E+00 ppm1      0.953 ppm2      1.464
 ASSI { 4079}
   (  segid "IL13" and resid 90   and name HD1%)
   (( segid "IL13" and resid 90   and name HG12))
      3.500     3.500     0.000 peak  4079 weight  0.10000E+01 volume  0.10920E+01 ppm1      0.953 ppm2      1.196
 ASSI { 3896}
   (  segid "IL13" and resid 90   and name HD1%)
   (( segid "IL13" and resid 94   and name HG1 ))
      5.000     5.000     0.000 peak  3896 weight  0.10000E+01 volume  0.30400E+00 ppm1      0.955 ppm2      2.486
 OR { 3896}
   (  segid "IL13" and resid 90   and name HD1%)
   (( segid "IL13" and resid 94   and name HG2 ))
 ASSI { 3897}
   (  segid "IL13" and resid 90   and name HD1%)
   (( segid "IL13" and resid 95   and name HA  ))
      5.000     5.000     0.000 peak  3897 weight  0.10000E+01 volume  0.65600E+00 ppm1      0.954 ppm2      4.026
 ASSI { 3895}
   (  segid "IL13" and resid 90   and name HD1%)
   (( segid "IL13" and resid 95   and name HB2 ))
      5.000     5.000     0.000 peak  3895 weight  0.10000E+01 volume  0.19600E+00 ppm1      0.952 ppm2      2.821
 ASSI { 3612}
   (  segid "IL13" and resid 90   and name HD1%)
   (  segid "IL13" and resid 95   and name HD% )
      5.000     5.000     0.000 peak  3612 weight  0.10000E+01 volume  0.27100E+00 ppm1      0.954 ppm2      7.112
 ASSI { 3796}
   (( segid "IL13" and resid 90   and name HG12))
   (( segid "IL13" and resid 90   and name HG11))
      3.500     3.500     0.000 peak  3796 weight  0.10000E+01 volume -0.18580E+01 ppm1      1.200 ppm2      1.457
 ASSI { 3800}
   (( segid "IL13" and resid 90   and name HG12))
   (  segid "IL13" and resid 90   and name HG2%)
      3.500     3.500     0.000 peak  3800 weight  0.10000E+01 volume -0.10690E+01 ppm1      1.200 ppm2      0.969
 ASSI { 3599}
   (  segid "IL13" and resid 90   and name HG2%)
   (( segid "IL13" and resid 90   and name HB  ))
      5.000     5.000     0.000 peak  3599 weight  0.10000E+01 volume  0.84500E+00 ppm1      0.966 ppm2      1.941
 ASSI { 3783}
   (  segid "IL13" and resid 90   and name HG2%)
   (( segid "IL13" and resid 90   and name HG11))
      5.000     5.000     0.000 peak  3783 weight  0.10000E+01 volume  0.53200E+00 ppm1      0.960 ppm2      1.461
 ASSI {  612}
   (  segid "IL13" and resid 90   and name HG2%)
   (  segid "IL13" and resid 95   and name HD% )
      5.000     5.000     0.000 peak   612 weight  0.10000E+01 volume  0.10000E+00 ppm1      0.965 ppm2      7.128
 ASSI { 3594}
   (  segid "IL13" and resid 90   and name HG2%)
   (  segid "IL13" and resid 95   and name HE% )
      5.000     5.000     0.000 peak  3594 weight  0.10000E+01 volume  0.33900E+00 ppm1      0.964 ppm2      7.405
 ASSI { 4083}
   (( segid "IL13" and resid 91   and name HA  ))
   (( segid "IL13" and resid 91   and name HB2 ))
      5.000     5.000     0.000 peak  4083 weight  0.10000E+01 volume  0.64500E+00 ppm1      4.545 ppm2      2.058
 ASSI { 5911}
   (( segid "IL13" and resid 91   and name HB1 ))
   (( segid "IL13" and resid 91   and name HA  ))
      5.000     5.000     0.000 peak  5911 weight  0.10000E+01 volume -0.64500E+00 ppm1      2.313 ppm2      4.536
 ASSI { 3940}
   (( segid "IL13" and resid 92   and name HA  ))
   (( segid "IL13" and resid 92   and name HB  ))
      3.500     3.500     0.000 peak  3940 weight  0.10000E+01 volume  0.12490E+01 ppm1      3.649 ppm2      1.925
 ASSI { 3939}
   (( segid "IL13" and resid 92   and name HA  ))
   (  segid "IL13" and resid 92   and name HG1%)
      5.000     5.000     0.000 peak  3939 weight  0.10000E+01 volume  0.75500E+00 ppm1      3.643 ppm2      0.886
 ASSI {  501}
   (( segid "IL13" and resid 92   and name HA  ))
   (( segid "IL13" and resid 95   and name HB2 ))
      5.000     5.000     0.000 peak   501 weight  0.10000E+01 volume  0.47000E+00 ppm1      3.638 ppm2      2.806
 ASSI { 3947}
   (( segid "IL13" and resid 92   and name HB  ))
   (  segid "IL13" and resid 92   and name HG1%)
      5.000     5.000     0.000 peak  3947 weight  0.10000E+01 volume -0.93300E+00 ppm1      1.934 ppm2      0.871
 OR { 3947}
   (( segid "IL13" and resid 92   and name HB  ))
   (  segid "IL13" and resid 92   and name HG2%)
 ASSI { 3934}
   (  segid "IL13" and resid 92   and name HG1%)
   (( segid "IL13" and resid 28   and name HB1 ))
      5.000     5.000     0.000 peak  3934 weight  0.10000E+01 volume -0.27000E+00 ppm1      0.870 ppm2      1.604
 OR { 3934}
   (  segid "IL13" and resid 92   and name HG1%)
   (( segid "IL13" and resid 28   and name HB2 ))
 ASSI { 3933}
   (  segid "IL13" and resid 92   and name HG1%)
   (( segid "IL13" and resid 28   and name HG  ))
      5.000     5.000     0.000 peak  3933 weight  0.10000E+01 volume -0.33300E+00 ppm1      0.870 ppm2      1.677
 ASSI { 3930}
   (  segid "IL13" and resid 92   and name HG1%)
   (( segid "IL13" and resid 29   and name HB1 ))
      5.000     5.000     0.000 peak  3930 weight  0.10000E+01 volume -0.13100E+00 ppm1      0.870 ppm2      3.534
 ASSI { 3932}
   (  segid "IL13" and resid 92   and name HG1%)
   (( segid "IL13" and resid 92   and name HB  ))
      5.000     5.000     0.000 peak  3932 weight  0.10000E+01 volume -0.55100E+00 ppm1      0.870 ppm2      1.922
 ASSI { 3938}
   (  segid "IL13" and resid 92   and name HG2%)
   (  segid "IL13" and resid 34   and name HG1%)
      5.000     5.000     0.000 peak  3938 weight  0.10000E+01 volume -0.15000E-01 ppm1      0.895 ppm2      0.504
 ASSI { 3928}
   (  segid "IL13" and resid 92   and name HG2%)
   (( segid "IL13" and resid 92   and name HA  ))
      5.000     5.000     0.000 peak  3928 weight  0.10000E+01 volume -0.36500E+00 ppm1      0.895 ppm2      3.656
 ASSI { 3929}
   (  segid "IL13" and resid 92   and name HG2%)
   (( segid "IL13" and resid 92   and name HB  ))
      5.000     5.000     0.000 peak  3929 weight  0.10000E+01 volume -0.43100E+00 ppm1      0.895 ppm2      1.922
 ASSI { 4167}
   (( segid "IL13" and resid 93   and name HA  ))
   (  segid "IL13" and resid 93   and name HB% )
      3.500     3.500     0.000 peak  4167 weight  0.10000E+01 volume  0.11400E+01 ppm1      3.985 ppm2      1.587
 ASSI { 4168}
   (( segid "IL13" and resid 93   and name HA  ))
   (( segid "IL13" and resid 96   and name HB  ))
      5.000     5.000     0.000 peak  4168 weight  0.10000E+01 volume  0.55000E+00 ppm1      3.997 ppm2      2.173
 ASSI { 4165}
   (( segid "IL13" and resid 93   and name HA  ))
   (  segid "IL13" and resid 96   and name HG2%)
      5.000     5.000     0.000 peak  4165 weight  0.10000E+01 volume  0.28800E+00 ppm1      3.985 ppm2      1.124
 ASSI { 4073}
   (( segid "IL13" and resid 94   and name HA  ))
   (( segid "IL13" and resid 94   and name HB1 ))
      3.500     3.500     0.000 peak  4073 weight  0.10000E+01 volume  0.16140E+01 ppm1      4.015 ppm2      2.336
 ASSI { 4074}
   (( segid "IL13" and resid 94   and name HA  ))
   (( segid "IL13" and resid 94   and name HB2 ))
      3.500     3.500     0.000 peak  4074 weight  0.10000E+01 volume  0.10930E+01 ppm1      4.017 ppm2      2.209
 ASSI { 3578}
   (( segid "IL13" and resid 94   and name HA  ))
   (( segid "IL13" and resid 94   and name HG2 ))
      3.500     3.500     0.000 peak  3578 weight  0.10000E+01 volume  0.15130E+01 ppm1      4.014 ppm2      2.484
 ASSI { 4071}
   (( segid "IL13" and resid 94   and name HB2 ))
   (( segid "IL13" and resid 94   and name HB1 ))
      3.500     3.500     0.000 peak  4071 weight  0.10000E+01 volume -0.34010E+01 ppm1      2.215 ppm2      2.337
 ASSI { 4068}
   (( segid "IL13" and resid 94   and name HB1 ))
   (( segid "IL13" and resid 94   and name HG1 ))
      3.500     3.500     0.000 peak  4068 weight  0.10000E+01 volume -0.23700E+01 ppm1      2.337 ppm2      2.484
 OR { 4068}
   (( segid "IL13" and resid 94   and name HB1 ))
   (( segid "IL13" and resid 94   and name HG2 ))
 ASSI { 4070}
   (( segid "IL13" and resid 94   and name HB2 ))
   (( segid "IL13" and resid 94   and name HG1 ))
      3.500     3.500     0.000 peak  4070 weight  0.10000E+01 volume -0.21420E+01 ppm1      2.215 ppm2      2.484
 OR { 4070}
   (( segid "IL13" and resid 94   and name HB2 ))
   (( segid "IL13" and resid 94   and name HG2 ))
 ASSI { 4429}
   (( segid "IL13" and resid 95   and name HA  ))
   (( segid "IL13" and resid 95   and name HB2 ))
      5.000     5.000     0.000 peak  4429 weight  0.10000E+01 volume  0.98700E+00 ppm1      4.035 ppm2      2.807
 ASSI { 4374}
   (( segid "IL13" and resid 95   and name HA  ))
   (  segid "IL13" and resid 95   and name HD% )
      5.000     5.000     0.000 peak  4374 weight  0.10000E+01 volume  0.50900E+00 ppm1      4.034 ppm2      7.103
 ASSI { 5903}
   (( segid "IL13" and resid 95   and name HA  ))
   (( segid "IL13" and resid 98   and name HB1 ))
      5.000     5.000     0.000 peak  5903 weight  0.10000E+01 volume  0.41800E+00 ppm1      4.038 ppm2      2.622
 ASSI { 3886}
   (( segid "IL13" and resid 95   and name HB1 ))
   (( segid "IL13" and resid 95   and name HA  ))
      5.000     5.000     0.000 peak  3886 weight  0.10000E+01 volume -0.60700E+00 ppm1      3.425 ppm2      4.023
 ASSI { 3634}
   (( segid "IL13" and resid 95   and name HB2 ))
   (( segid "IL13" and resid 95   and name HB1 ))
      3.500     3.500     0.000 peak  3634 weight  0.10000E+01 volume -0.17670E+01 ppm1      2.814 ppm2      3.437
 ASSI { 5913}
   (( segid "IL13" and resid 95   and name HB1 ))
   (  segid "IL13" and resid 95   and name HD% )
      5.000     5.000     0.000 peak  5913 weight  0.10000E+01 volume -0.60600E+00 ppm1      3.450 ppm2      7.126
 ASSI { 6080}
   (  segid "IL13" and resid 95   and name HD% )
   (( segid "IL13" and resid 95   and name HB2 ))
      5.000     5.000     0.000 peak  6080 weight  0.10000E+01 volume -0.30900E+00 ppm1      7.118 ppm2      2.801
 ASSI { 5993}
   (  segid "IL13" and resid 95   and name HD% )
   (  segid "IL13" and resid 95   and name HE% )
      5.000     5.000     0.000 peak  5993 weight  0.10000E+01 volume -0.49300E+00 ppm1      7.118 ppm2      7.395
 ASSI { 6082}
   (  segid "IL13" and resid 95   and name HD% )
   (  segid "IL13" and resid 96   and name HG2%)
      5.000     5.000     0.000 peak  6082 weight  0.10000E+01 volume -0.12400E+00 ppm1      7.118 ppm2      1.115
 ASSI { 4395}
   (  segid "IL13" and resid 95   and name HE% )
   (  segid "IL13" and resid 99   and name HD1%)
      5.000     5.000     0.000 peak  4395 weight  0.10000E+01 volume -0.13700E+00 ppm1      7.411 ppm2      0.749
 ASSI { 4158}
   (( segid "IL13" and resid 96   and name HA  ))
   (( segid "IL13" and resid 96   and name HB  ))
      5.000     5.000     0.000 peak  4158 weight  0.10000E+01 volume  0.80400E+00 ppm1      3.658 ppm2      2.188
 ASSI { 4159}
   (( segid "IL13" and resid 96   and name HA  ))
   (  segid "IL13" and resid 96   and name HG2%)
      5.000     5.000     0.000 peak  4159 weight  0.10000E+01 volume  0.47200E+00 ppm1      3.658 ppm2      1.120
 ASSI {  292}
   (  segid "IL13" and resid 96   and name HG1%)
   (  segid "IL13" and resid 95   and name HD% )
      5.000     5.000     0.000 peak   292 weight  0.10000E+01 volume -0.11900E+00 ppm1      1.041 ppm2      7.102
 ASSI { 4161}
   (  segid "IL13" and resid 96   and name HG1%)
   (( segid "IL13" and resid 96   and name HA  ))
      5.000     5.000     0.000 peak  4161 weight  0.10000E+01 volume -0.34700E+00 ppm1      1.041 ppm2      3.656
 ASSI { 4163}
   (  segid "IL13" and resid 96   and name HG2%)
   (( segid "IL13" and resid 96   and name HB  ))
      5.000     5.000     0.000 peak  4163 weight  0.10000E+01 volume -0.82700E+00 ppm1      1.127 ppm2      2.190
 ASSI { 3955}
   (( segid "IL13" and resid 98   and name HA  ))
   (( segid "IL13" and resid 98   and name HB1 ))
      3.500     3.500     0.000 peak  3955 weight  0.10000E+01 volume  0.11860E+01 ppm1      4.392 ppm2      2.608
 ASSI { 4775}
   (( segid "IL13" and resid 98   and name HA  ))
   (( segid "IL13" and resid 99   and name HB1 ))
      5.000     5.000     0.000 peak  4775 weight  0.10000E+01 volume  0.83700E+00 ppm1      4.384 ppm2      1.873
 ASSI { 5908}
   (( segid "IL13" and resid 98   and name HA  ))
   (  segid "IL13" and resid 101  and name HD1%)
      5.000     5.000     0.000 peak  5908 weight  0.10000E+01 volume  0.18900E+00 ppm1      4.387 ppm2      0.966
 ASSI { 3953}
   (( segid "IL13" and resid 98   and name HB2 ))
   (( segid "IL13" and resid 98   and name HA  ))
      5.000     5.000     0.000 peak  3953 weight  0.10000E+01 volume -0.90300E+00 ppm1      2.447 ppm2      4.389
 ASSI { 3951}
   (( segid "IL13" and resid 98   and name HB2 ))
   (( segid "IL13" and resid 98   and name HB1 ))
      3.500     3.500     0.000 peak  3951 weight  0.10000E+01 volume -0.32300E+01 ppm1      2.447 ppm2      2.606
 ASSI { 5084}
   (( segid "IL13" and resid 99   and name HA  ))
   (( segid "IL13" and resid 99   and name HB1 ))
      3.500     3.500     0.000 peak  5084 weight  0.10000E+01 volume  0.13540E+01 ppm1      3.917 ppm2      1.875
 ASSI { 5088}
   (( segid "IL13" and resid 99   and name HA  ))
   (( segid "IL13" and resid 99   and name HB2 ))
      5.000     5.000     0.000 peak  5088 weight  0.10000E+01 volume  0.85800E+00 ppm1      3.913 ppm2      1.185
 ASSI { 5082}
   (( segid "IL13" and resid 99   and name HA  ))
   (  segid "IL13" and resid 99   and name HD1%)
      3.500     3.500     0.000 peak  5082 weight  0.10000E+01 volume  0.15940E+01 ppm1      3.911 ppm2      0.753
 ASSI { 5086}
   (( segid "IL13" and resid 99   and name HA  ))
   (( segid "IL13" and resid 99   and name HG  ))
      3.500     3.500     0.000 peak  5086 weight  0.10000E+01 volume  0.12050E+01 ppm1      3.912 ppm2      1.486
 ASSI { 4261}
   (( segid "IL13" and resid 99   and name HB2 ))
   (( segid "IL13" and resid 99   and name HB1 ))
      3.500     3.500     0.000 peak  4261 weight  0.10000E+01 volume -0.15610E+01 ppm1      1.188 ppm2      1.897
 ASSI { 5261}
   (  segid "IL13" and resid 99   and name HD1%)
   (  segid "IL13" and resid 47   and name HB% )
      5.000     5.000     0.000 peak  5261 weight  0.10000E+01 volume -0.16800E+00 ppm1      0.748 ppm2      1.628
 ASSI { 4663}
   (  segid "IL13" and resid 99   and name HD1%)
   (( segid "IL13" and resid 99   and name HB2 ))
      5.000     5.000     0.000 peak  4663 weight  0.10000E+01 volume -0.27100E+00 ppm1      0.760 ppm2      1.188
 ASSI { 3618}
   (  segid "IL13" and resid 99   and name HD2%)
   (  segid "IL13" and resid 95   and name HE% )
      5.000     5.000     0.000 peak  3618 weight  0.10000E+01 volume -0.21400E+00 ppm1      0.870 ppm2      7.419
 ASSI { 4450}
   (  segid "IL13" and resid 99   and name HD2%)
   (( segid "IL13" and resid 99   and name HB1 ))
      5.000     5.000     0.000 peak  4450 weight  0.10000E+01 volume -0.31300E+00 ppm1      0.870 ppm2      1.897
 ASSI { 4449}
   (  segid "IL13" and resid 99   and name HD2%)
   (( segid "IL13" and resid 99   and name HG  ))
      5.000     5.000     0.000 peak  4449 weight  0.10000E+01 volume -0.49300E+00 ppm1      0.870 ppm2      1.482
 ASSI { 2412}
   (( segid "IL13" and resid 100  and name HA  ))
   (( segid "IL13" and resid 100  and name HB1 ))
      5.000     5.000     0.000 peak  2412 weight  0.10000E+01 volume  0.72600E+00 ppm1      3.907 ppm2      2.148
 ASSI { 5085}
   (( segid "IL13" and resid 100  and name HA  ))
   (( segid "IL13" and resid 100  and name HB2 ))
      3.500     3.500     0.000 peak  5085 weight  0.10000E+01 volume  0.17920E+01 ppm1      3.916 ppm2      1.621
 ASSI { 1042}
   (( segid "IL13" and resid 100  and name HA  ))
   (  segid "IL13" and resid 100  and name HD1%)
      5.000     5.000     0.000 peak  1042 weight  0.10000E+01 volume  0.54700E+00 ppm1      3.914 ppm2      1.018
 ASSI { 5498}
   (  segid "IL13" and resid 100  and name HD1%)
   (( segid "IL13" and resid 18   and name HA  ))
      5.000     5.000     0.000 peak  5498 weight  0.10000E+01 volume -0.25100E+00 ppm1      1.017 ppm2      3.363
 ASSI { 5491}
   (  segid "IL13" and resid 100  and name HD1%)
   (( segid "IL13" and resid 100  and name HB2 ))
      5.000     5.000     0.000 peak  5491 weight  0.10000E+01 volume -0.73300E+00 ppm1      1.017 ppm2      1.579
 ASSI { 3478}
   (  segid "IL13" and resid 100  and name HD1%)
   (( segid "IL13" and resid 104  and name HE1 ))
      5.000     5.000     0.000 peak  3478 weight  0.10000E+01 volume -0.15000E+00 ppm1      1.017 ppm2      2.850
 ASSI { 5499}
   (  segid "IL13" and resid 100  and name HD2%)
   (( segid "IL13" and resid 100  and name HB1 ))
      5.000     5.000     0.000 peak  5499 weight  0.10000E+01 volume -0.50500E+00 ppm1      0.883 ppm2      2.166
 ASSI { 4447}
   (  segid "IL13" and resid 100  and name HD2%)
   (( segid "IL13" and resid 100  and name HB2 ))
      5.000     5.000     0.000 peak  4447 weight  0.10000E+01 volume -0.90000E+00 ppm1      0.883 ppm2      1.604
 ASSI { 3683}
   (( segid "IL13" and resid 101  and name HB1 ))
   (( segid "IL13" and resid 101  and name HA  ))
      3.500     3.500     0.000 peak  3683 weight  0.10000E+01 volume -0.15320E+01 ppm1      1.897 ppm2      3.950
 ASSI { 3684}
   (( segid "IL13" and resid 101  and name HB2 ))
   (( segid "IL13" and resid 101  and name HA  ))
      3.500     3.500     0.000 peak  3684 weight  0.10000E+01 volume -0.14700E+01 ppm1      1.653 ppm2      3.950
 ASSI { 4453}
   (( segid "IL13" and resid 101  and name HB1 ))
   (  segid "IL13" and resid 101  and name HD1%)
      5.000     5.000     0.000 peak  4453 weight  0.10000E+01 volume -0.43600E+00 ppm1      1.885 ppm2      0.969
 ASSI { 3942}
   (  segid "IL13" and resid 101  and name HD2%)
   (( segid "IL13" and resid 101  and name HA  ))
      5.000     5.000     0.000 peak  3942 weight  0.10000E+01 volume -0.44600E+00 ppm1      0.907 ppm2      3.950
 ASSI { 4227}
   (( segid "IL13" and resid 102  and name HA  ))
   (( segid "IL13" and resid 102  and name HB2 ))
      3.500     3.500     0.000 peak  4227 weight  0.10000E+01 volume  0.11630E+01 ppm1      4.379 ppm2      3.112
 OR { 4227}
   (( segid "IL13" and resid 102  and name HA  ))
   (( segid "IL13" and resid 102  and name HB1 ))
 ASSI { 5064}
   (( segid "IL13" and resid 102  and name HB1 ))
   (( segid "IL13" and resid 102  and name HA  ))
      5.000     5.000     0.000 peak  5064 weight  0.10000E+01 volume -0.57000E+00 ppm1      3.193 ppm2      4.365
 ASSI { 5063}
   (( segid "IL13" and resid 102  and name HB2 ))
   (( segid "IL13" and resid 102  and name HA  ))
      5.000     5.000     0.000 peak  5063 weight  0.10000E+01 volume -0.68100E+00 ppm1      3.095 ppm2      4.365
 ASSI {  311}
   (( segid "IL13" and resid 102  and name HB2 ))
   (( segid "IL13" and resid 102  and name HD2 ))
      5.000     5.000     0.000 peak   311 weight  0.10000E+01 volume -0.27400E+00 ppm1      3.095 ppm2      6.637
 ASSI { 3695}
   (( segid "IL13" and resid 103  and name HB2 ))
   (( segid "IL13" and resid 103  and name HA  ))
      5.000     5.000     0.000 peak  3695 weight  0.10000E+01 volume -0.52300E+00 ppm1      1.372 ppm2      3.974
 ASSI { 4258}
   (( segid "IL13" and resid 103  and name HB2 ))
   (( segid "IL13" and resid 103  and name HB1 ))
      3.500     3.500     0.000 peak  4258 weight  0.10000E+01 volume -0.14760E+01 ppm1      1.372 ppm2      1.946
 ASSI { 3561}
   (  segid "IL13" and resid 103  and name HD2%)
   (  segid "IL13" and resid 44   and name HE% )
      5.000     5.000     0.000 peak  3561 weight  0.10000E+01 volume -0.20300E+00 ppm1      0.821 ppm2      6.466
 ASSI { 3562}
   (  segid "IL13" and resid 103  and name HD2%)
   (( segid "IL13" and resid 102  and name HD2 ))
      5.000     5.000     0.000 peak  3562 weight  0.10000E+01 volume -0.10100E+00 ppm1      0.821 ppm2      6.613
 ASSI { 3565}
   (  segid "IL13" and resid 103  and name HD2%)
   (( segid "IL13" and resid 103  and name HG  ))
      5.000     5.000     0.000 peak  3565 weight  0.10000E+01 volume -0.43600E+00 ppm1      0.821 ppm2      2.044
 ASSI { 4182}
   (( segid "IL13" and resid 103  and name HG  ))
   (  segid "IL13" and resid 103  and name HD1%)
      5.000     5.000     0.000 peak  4182 weight  0.10000E+01 volume -0.52600E+00 ppm1      2.044 ppm2      0.773
 ASSI { 3872}
   (( segid "IL13" and resid 104  and name HD1 ))
   (( segid "IL13" and resid 104  and name HE1 ))
      5.000     5.000     0.000 peak  3872 weight  0.10000E+01 volume -0.52500E+00 ppm1      1.665 ppm2      2.850
 OR { 3872}
   (( segid "IL13" and resid 104  and name HD1 ))
   (( segid "IL13" and resid 104  and name HE2 ))
 ASSI { 3708}
   (( segid "IL13" and resid 104  and name HE2 ))
   (  segid "IL13" and resid 14   and name HG2%)
      5.000     5.000     0.000 peak  3708 weight  0.10000E+01 volume -0.22800E+00 ppm1      2.851 ppm2      0.724
 OR { 3708}
   (( segid "IL13" and resid 104  and name HE1 ))
   (  segid "IL13" and resid 14   and name HG2%)
 ASSI { 3709}
   (( segid "IL13" and resid 104  and name HE1 ))
   (( segid "IL13" and resid 104  and name HD2 ))
      3.500     3.500     0.000 peak  3709 weight  0.10000E+01 volume -0.11970E+01 ppm1      2.851 ppm2      1.628
 OR { 3709}
   (( segid "IL13" and resid 104  and name HE2 ))
   (( segid "IL13" and resid 104  and name HD2 ))
 OR { 3709}
   (( segid "IL13" and resid 104  and name HE1 ))
   (( segid "IL13" and resid 104  and name HD1 ))
 ASSI { 3710}
   (( segid "IL13" and resid 104  and name HE2 ))
   (( segid "IL13" and resid 104  and name HG1 ))
      5.000     5.000     0.000 peak  3710 weight  0.10000E+01 volume -0.69400E+00 ppm1      2.851 ppm2      1.824
 ASSI { 3713}
   (( segid "IL13" and resid 104  and name HE2 ))
   (( segid "IL13" and resid 104  and name HG2 ))
      5.000     5.000     0.000 peak  3713 weight  0.10000E+01 volume -0.46300E+00 ppm1      2.851 ppm2      1.408
 OR { 3713}
   (( segid "IL13" and resid 104  and name HE1 ))
   (( segid "IL13" and resid 104  and name HG2 ))
 ASSI { 4433}
   (( segid "IL13" and resid 104  and name HG1 ))
   (( segid "IL13" and resid 104  and name HA  ))
      5.000     5.000     0.000 peak  4433 weight  0.10000E+01 volume -0.86200E+00 ppm1      1.799 ppm2      3.950
 ASSI { 4434}
   (( segid "IL13" and resid 104  and name HG2 ))
   (( segid "IL13" and resid 104  and name HA  ))
      5.000     5.000     0.000 peak  4434 weight  0.10000E+01 volume -0.78200E+00 ppm1      1.408 ppm2      3.950
 ASSI { 4439}
   (( segid "IL13" and resid 104  and name HG2 ))
   (( segid "IL13" and resid 104  and name HG1 ))
      3.500     3.500     0.000 peak  4439 weight  0.10000E+01 volume -0.19570E+01 ppm1      1.408 ppm2      1.799
 ASSI {  465}
   (( segid "IL13" and resid 105  and name HA  ))
   (( segid "IL13" and resid 105  and name HD2 ))
      5.000     5.000     0.000 peak   465 weight  0.10000E+01 volume  0.86100E+00 ppm1      4.064 ppm2      1.660
 OR {  465}
   (( segid "IL13" and resid 105  and name HA  ))
   (( segid "IL13" and resid 105  and name HD1 ))
 ASSI { 5066}
   (( segid "IL13" and resid 105  and name HA  ))
   (( segid "IL13" and resid 105  and name HG1 ))
      5.000     5.000     0.000 peak  5066 weight  0.10000E+01 volume  0.76400E+00 ppm1      4.034 ppm2      1.539
 ASSI { 5065}
   (( segid "IL13" and resid 105  and name HA  ))
   (( segid "IL13" and resid 105  and name HG2 ))
      5.000     5.000     0.000 peak  5065 weight  0.10000E+01 volume  0.48900E+00 ppm1      4.032 ppm2      1.290
 ASSI { 4334}
   (( segid "IL13" and resid 105  and name HB1 ))
   (( segid "IL13" and resid 105  and name HA  ))
      5.000     5.000     0.000 peak  4334 weight  0.10000E+01 volume -0.86800E+00 ppm1      2.068 ppm2      4.023
 ASSI {  484}
   (( segid "IL13" and resid 105  and name HB2 ))
   (( segid "IL13" and resid 105  and name HA  ))
      5.000     5.000     0.000 peak   484 weight  0.10000E+01 volume -0.91900E+00 ppm1      1.909 ppm2      4.023
 ASSI {  579}
   (( segid "IL13" and resid 105  and name HE1 ))
   (( segid "IL13" and resid 105  and name HG1 ))
      5.000     5.000     0.000 peak   579 weight  0.10000E+01 volume -0.50600E+00 ppm1      2.924 ppm2      1.531
 ASSI { 5072}
   (( segid "IL13" and resid 105  and name HG1 ))
   (( segid "IL13" and resid 105  and name HB1 ))
      5.000     5.000     0.000 peak  5072 weight  0.10000E+01 volume -0.71400E+00 ppm1      1.543 ppm2      2.068
 ASSI { 5071}
   (( segid "IL13" and resid 105  and name HG2 ))
   (( segid "IL13" and resid 105  and name HB1 ))
      5.000     5.000     0.000 peak  5071 weight  0.10000E+01 volume -0.67300E+00 ppm1      1.286 ppm2      2.068
 ASSI { 5073}
   (( segid "IL13" and resid 105  and name HG2 ))
   (( segid "IL13" and resid 105  and name HB2 ))
      5.000     5.000     0.000 peak  5073 weight  0.10000E+01 volume -0.45600E+00 ppm1      1.286 ppm2      1.897
 ASSI { 5070}
   (( segid "IL13" and resid 105  and name HG2 ))
   (( segid "IL13" and resid 105  and name HD1 ))
      3.500     3.500     0.000 peak  5070 weight  0.10000E+01 volume -0.12370E+01 ppm1      1.286 ppm2      1.677
 ASSI { 5069}
   (( segid "IL13" and resid 105  and name HG2 ))
   (( segid "IL13" and resid 105  and name HG1 ))
      3.500     3.500     0.000 peak  5069 weight  0.10000E+01 volume -0.33020E+01 ppm1      1.286 ppm2      1.555
 ASSI { 4254}
   (( segid "IL13" and resid 107  and name HA  ))
   (( segid "IL13" and resid 107  and name HB2 ))
      5.000     5.000     0.000 peak  4254 weight  0.10000E+01 volume  0.88300E+00 ppm1      4.137 ppm2      3.148
 OR { 4254}
   (( segid "IL13" and resid 107  and name HA  ))
   (( segid "IL13" and resid 107  and name HB1 ))
 ASSI { 4358}
   (( segid "IL13" and resid 107  and name HA  ))
   (  segid "IL13" and resid 107  and name HD% )
      5.000     5.000     0.000 peak  4358 weight  0.10000E+01 volume  0.62900E+00 ppm1      4.149 ppm2      7.194
 ASSI { 5917}
   (( segid "IL13" and resid 107  and name HB2 ))
   (  segid "IL13" and resid 14   and name HD1%)
      5.000     5.000     0.000 peak  5917 weight  0.10000E+01 volume -0.17500E+00 ppm1      3.132 ppm2      0.602
 ASSI { 5919}
   (( segid "IL13" and resid 107  and name HB2 ))
   (( segid "IL13" and resid 104  and name HA  ))
      5.000     5.000     0.000 peak  5919 weight  0.10000E+01 volume -0.42800E+00 ppm1      3.132 ppm2      3.950
 ASSI { 3959}
   (( segid "IL13" and resid 107  and name HB1 ))
   (( segid "IL13" and resid 107  and name HA  ))
      5.000     5.000     0.000 peak  3959 weight  0.10000E+01 volume -0.52100E+00 ppm1      3.193 ppm2      4.121
 ASSI { 3958}
   (( segid "IL13" and resid 107  and name HB2 ))
   (( segid "IL13" and resid 107  and name HA  ))
      5.000     5.000     0.000 peak  3958 weight  0.10000E+01 volume -0.54200E+00 ppm1      3.144 ppm2      4.145
 ASSI { 3964}
   (  segid "IL13" and resid 107  and name HD% )
   (( segid "IL13" and resid 107  and name HB2 ))
      5.000     5.000     0.000 peak  3964 weight  0.10000E+01 volume -0.48800E+00 ppm1      7.228 ppm2      3.168
 OR { 3964}
   (  segid "IL13" and resid 107  and name HD% )
   (( segid "IL13" and resid 107  and name HB1 ))
 ASSI { 3856}
   (( segid "IL13" and resid 108  and name HA  ))
   (( segid "IL13" and resid 108  and name HB1 ))
      3.500     3.500     0.000 peak  3856 weight  0.10000E+01 volume  0.27610E+01 ppm1      4.117 ppm2      2.046
 OR { 3856}
   (( segid "IL13" and resid 108  and name HA  ))
   (( segid "IL13" and resid 108  and name HB2 ))
 ASSI { 3855}
   (( segid "IL13" and resid 108  and name HA  ))
   (( segid "IL13" and resid 108  and name HG2 ))
      3.500     3.500     0.000 peak  3855 weight  0.10000E+01 volume  0.14370E+01 ppm1      4.117 ppm2      1.822
 ASSI { 3859}
   (( segid "IL13" and resid 108  and name HB2 ))
   (( segid "IL13" and resid 108  and name HG1 ))
      3.500     3.500     0.000 peak  3859 weight  0.10000E+01 volume -0.43580E+01 ppm1      2.044 ppm2      1.824
 OR { 3859}
   (( segid "IL13" and resid 108  and name HB1 ))
   (( segid "IL13" and resid 108  and name HG1 ))
 OR { 3859}
   (( segid "IL13" and resid 108  and name HB2 ))
   (( segid "IL13" and resid 108  and name HG2 ))
 ASSI { 3577}
   (( segid "IL13" and resid 108  and name HD2 ))
   (( segid "IL13" and resid 108  and name HB1 ))
      3.500     3.500     0.000 peak  3577 weight  0.10000E+01 volume -0.18510E+01 ppm1      3.291 ppm2      2.044
 OR { 3577}
   (( segid "IL13" and resid 108  and name HD1 ))
   (( segid "IL13" and resid 108  and name HB1 ))
 ASSI { 3655}
   (( segid "IL13" and resid 108  and name HD2 ))
   (( segid "IL13" and resid 108  and name HG2 ))
      3.500     3.500     0.000 peak  3655 weight  0.10000E+01 volume -0.39360E+01 ppm1      3.279 ppm2      1.824
 OR { 3655}
   (( segid "IL13" and resid 108  and name HD1 ))
   (( segid "IL13" and resid 108  and name HG1 ))
 OR { 3655}
   (( segid "IL13" and resid 108  and name HD1 ))
   (( segid "IL13" and resid 108  and name HG2 ))
 ASSI { 4422}
   (( segid "IL13" and resid 109  and name HA  ))
   (( segid "IL13" and resid 109  and name HB1 ))
      3.500     3.500     0.000 peak  4422 weight  0.10000E+01 volume  0.15490E+01 ppm1      4.198 ppm2      2.124
 ASSI { 4423}
   (( segid "IL13" and resid 109  and name HA  ))
   (( segid "IL13" and resid 109  and name HB2 ))
      3.500     3.500     0.000 peak  4423 weight  0.10000E+01 volume  0.11100E+01 ppm1      4.195 ppm2      2.012
 ASSI { 4421}
   (( segid "IL13" and resid 109  and name HA  ))
   (( segid "IL13" and resid 109  and name HG1 ))
      5.000     5.000     0.000 peak  4421 weight  0.10000E+01 volume  0.65300E+00 ppm1      4.188 ppm2      2.499
 ASSI { 4420}
   (( segid "IL13" and resid 109  and name HA  ))
   (( segid "IL13" and resid 109  and name HG2 ))
      3.500     3.500     0.000 peak  4420 weight  0.10000E+01 volume  0.15780E+01 ppm1      4.195 ppm2      2.269
 ASSI { 3668}
   (( segid "IL13" and resid 110  and name HA2 ))
   (( segid "IL13" and resid 110  and name HA1 ))
      3.500     3.500     0.000 peak  3668 weight  0.10000E+01 volume -0.25850E+01 ppm1      3.438 ppm2      3.730
 ASSI { 3539}
   (( segid "IL13" and resid 111  and name HA  ))
   (( segid "IL13" and resid 111  and name HB1 ))
      3.500     3.500     0.000 peak  3539 weight  0.10000E+01 volume  0.13980E+01 ppm1      4.298 ppm2      1.804
 ASSI { 3865}
   (( segid "IL13" and resid 111  and name HB2 ))
   (( segid "IL13" and resid 111  and name HA  ))
      5.000     5.000     0.000 peak  3865 weight  0.10000E+01 volume -0.67000E+00 ppm1      1.628 ppm2      4.292
 ASSI { 3869}
   (( segid "IL13" and resid 111  and name HB2 ))
   (( segid "IL13" and resid 111  and name HB1 ))
      3.500     3.500     0.000 peak  3869 weight  0.10000E+01 volume -0.44810E+01 ppm1      1.628 ppm2      1.799
 ASSI { 3866}
   (( segid "IL13" and resid 111  and name HB1 ))
   (( segid "IL13" and resid 111  and name HD1 ))
      5.000     5.000     0.000 peak  3866 weight  0.10000E+01 volume -0.56600E+00 ppm1      1.812 ppm2      3.168
 OR { 3866}
   (( segid "IL13" and resid 111  and name HB1 ))
   (( segid "IL13" and resid 111  and name HD2 ))
 ASSI { 3867}
   (( segid "IL13" and resid 111  and name HB1 ))
   (( segid "IL13" and resid 111  and name HG2 ))
      3.500     3.500     0.000 peak  3867 weight  0.10000E+01 volume -0.18840E+01 ppm1      1.812 ppm2      1.506
 OR { 3867}
   (( segid "IL13" and resid 111  and name HB1 ))
   (( segid "IL13" and resid 111  and name HG1 ))
 ASSI { 3870}
   (( segid "IL13" and resid 111  and name HB2 ))
   (( segid "IL13" and resid 111  and name HG2 ))
      3.500     3.500     0.000 peak  3870 weight  0.10000E+01 volume -0.16900E+01 ppm1      1.628 ppm2      1.506
 OR { 3870}
   (( segid "IL13" and resid 111  and name HB2 ))
   (( segid "IL13" and resid 111  and name HG1 ))
 ASSI { 3658}
   (( segid "IL13" and resid 111  and name HD2 ))
   (( segid "IL13" and resid 111  and name HG1 ))
      2.700     2.700     0.000 peak  3658 weight  0.10000E+01 volume -0.51010E+01 ppm1      3.156 ppm2      1.506
 OR { 3658}
   (( segid "IL13" and resid 111  and name HD1 ))
   (( segid "IL13" and resid 111  and name HG1 ))
 OR { 3658}
   (( segid "IL13" and resid 111  and name HD2 ))
   (( segid "IL13" and resid 111  and name HG2 ))
 ASSI { 3873}
   (( segid "IL13" and resid 111  and name HG1 ))
   (( segid "IL13" and resid 111  and name HA  ))
      5.000     5.000     0.000 peak  3873 weight  0.10000E+01 volume -0.84100E+00 ppm1      1.494 ppm2      4.292
 ASSI { 4364}
   (( segid "IL13" and resid 112  and name HA  ))
   (( segid "IL13" and resid 112  and name HB1 ))
      3.500     3.500     0.000 peak  4364 weight  0.10000E+01 volume  0.14410E+01 ppm1      4.769 ppm2      3.305
 ASSI { 4360}
   (( segid "IL13" and resid 112  and name HA  ))
   (  segid "IL13" and resid 112  and name HD% )
      3.500     3.500     0.000 peak  4360 weight  0.10000E+01 volume  0.17950E+01 ppm1      4.770 ppm2      7.185
 ASSI { 3633}
   (( segid "IL13" and resid 112  and name HB2 ))
   (( segid "IL13" and resid 112  and name HB1 ))
      2.700     2.700     0.000 peak  3633 weight  0.10000E+01 volume -0.53930E+01 ppm1      2.863 ppm2      3.290
 ASSI { 3631}
   (( segid "IL13" and resid 112  and name HB1 ))
   (  segid "IL13" and resid 112  and name HD% )
      5.000     5.000     0.000 peak  3631 weight  0.10000E+01 volume -0.79900E+00 ppm1      3.303 ppm2      7.175
 ASSI { 3630}
   (( segid "IL13" and resid 112  and name HB2 ))
   (  segid "IL13" and resid 112  and name HD% )
      3.500     3.500     0.000 peak  3630 weight  0.10000E+01 volume -0.11800E+01 ppm1      2.863 ppm2      7.175
 ASSI { 4037}
   (( segid "IL13" and resid 113  and name HA  ))
   (( segid "IL13" and resid 113  and name HB2 ))
      3.500     3.500     0.000 peak  4037 weight  0.10000E+01 volume  0.21180E+01 ppm1      4.573 ppm2      2.842
 OR { 4037}
   (( segid "IL13" and resid 113  and name HA  ))
   (( segid "IL13" and resid 113  and name HB1 ))
 ASSI { 3641}
   (( segid "IL13" and resid 113  and name HB1 ))
   (( segid "IL13" and resid 113  and name HA  ))
      5.000     5.000     0.000 peak  3641 weight  0.10000E+01 volume -0.10140E+01 ppm1      2.851 ppm2      4.561
 ASSI { 3642}
   (( segid "IL13" and resid 113  and name HB2 ))
   (( segid "IL13" and resid 113  and name HA  ))
      5.000     5.000     0.000 peak  3642 weight  0.10000E+01 volume -0.87800E+00 ppm1      2.814 ppm2      4.561
 ASSI { 4698}
   (( segid "IL13" and resid 4    and name HA  ))
   (  segid "IL13" and resid 4    and name HG1%)
      5.000     5.000     0.000 peak  4698 weight  0.10000E+01 volume -0.81200E+00 ppm1      4.455 ppm2      1.052
 ASSI { 4218}
   (( segid "IL13" and resid 4    and name HB  ))
   (  segid "IL13" and resid 4    and name HG2%)
      3.500     3.500     0.000 peak  4218 weight  0.10000E+01 volume -0.11510E+01 ppm1      2.083 ppm2      0.954
 ASSI { 5228}
   (  segid "IL13" and resid 4    and name HG1%)
   (( segid "IL13" and resid 5    and name HD1 ))
      5.000     5.000     0.000 peak  5228 weight  0.10000E+01 volume -0.26500E+00 ppm1      1.008 ppm2      3.892
 ASSI { 5227}
   (  segid "IL13" and resid 4    and name HG1%)
   (( segid "IL13" and resid 5    and name HD2 ))
      5.000     5.000     0.000 peak  5227 weight  0.10000E+01 volume -0.55900E+00 ppm1      1.008 ppm2      3.598
 ASSI { 5367}
   (( segid "IL13" and resid 5    and name HG1 ))
   (( segid "IL13" and resid 5    and name HD1 ))
      3.500     3.500     0.000 peak  5367 weight  0.10000E+01 volume -0.12790E+01 ppm1      1.937 ppm2      3.892
 ASSI { 5428}
   (  segid "IL13" and resid 8    and name HG2%)
   (( segid "IL13" and resid 12   and name HB2 ))
      5.000     5.000     0.000 peak  5428 weight  0.10000E+01 volume  0.31400E+00 ppm1      1.245 ppm2      2.034
 ASSI { 5303}
   (  segid "IL13" and resid 8    and name HG2%)
   (( segid "IL13" and resid 12   and name HG1 ))
      5.000     5.000     0.000 peak  5303 weight  0.10000E+01 volume  0.37100E+00 ppm1      1.246 ppm2      2.591
 ASSI { 5388}
   (  segid "IL13" and resid 10   and name HD1%)
   (  segid "IL13" and resid 14   and name HD1%)
      5.000     5.000     0.000 peak  5388 weight  0.10000E+01 volume -0.11000E-01 ppm1      1.130 ppm2      0.562
 ASSI { 4536}
   (( segid "IL13" and resid 13   and name HA  ))
   (  segid "IL13" and resid 13   and name HD1%)
      3.500     3.500     0.000 peak  4536 weight  0.10000E+01 volume -0.11380E+01 ppm1      4.553 ppm2      1.052
 ASSI { 5258}
   (  segid "IL13" and resid 13   and name HD1%)
   (  segid "IL13" and resid 66   and name HE% )
      5.000     5.000     0.000 peak  5258 weight  0.10000E+01 volume -0.13700E+00 ppm1      1.081 ppm2      2.129
 ASSI { 4569}
   (  segid "IL13" and resid 14   and name HG2%)
   (( segid "IL13" and resid 14   and name HB  ))
      3.500     3.500     0.000 peak  4569 weight  0.10000E+01 volume -0.12740E+01 ppm1      0.739 ppm2      1.835
 ASSI { 4609}
   (  segid "IL13" and resid 18   and name HG2%)
   (( segid "IL13" and resid 19   and name HA  ))
      5.000     5.000     0.000 peak  4609 weight  0.10000E+01 volume -0.50100E+00 ppm1      0.885 ppm2      4.479
 ASSI { 4638}
   (( segid "IL13" and resid 19   and name HA  ))
   (( segid "IL13" and resid 19   and name HB2 ))
      2.700     2.700     0.000 peak  4638 weight  0.10000E+01 volume -0.63670E+01 ppm1      4.455 ppm2      3.108
 OR { 4638}
   (( segid "IL13" and resid 19   and name HA  ))
   (( segid "IL13" and resid 19   and name HB1 ))
 ASSI { 4610}
   (( segid "IL13" and resid 20   and name HA  ))
   (  segid "IL13" and resid 20   and name HG2%)
      3.500     3.500     0.000 peak  4610 weight  0.10000E+01 volume  0.12730E+01 ppm1      4.353 ppm2      1.155
 ASSI { 5973}
   (  segid "IL13" and resid 20   and name HD1%)
   (( segid "IL13" and resid 60   and name HA  ))
      5.000     5.000     0.000 peak  5973 weight  0.10000E+01 volume  0.13900E+00 ppm1      1.000 ppm2      4.584
 ASSI { 5983}
   (  segid "IL13" and resid 20   and name HG2%)
   (( segid "IL13" and resid 19   and name HB1 ))
      5.000     5.000     0.000 peak  5983 weight  0.10000E+01 volume -0.34700E+00 ppm1      1.154 ppm2      3.108
 ASSI { 4633}
   (( segid "IL13" and resid 21   and name HA  ))
   (  segid "IL13" and resid 21   and name HG2%)
      3.500     3.500     0.000 peak  4633 weight  0.10000E+01 volume -0.12700E+01 ppm1      4.480 ppm2      1.248
 ASSI { 4639}
   (( segid "IL13" and resid 22   and name HG2 ))
   (( segid "IL13" and resid 22   and name HA  ))
      3.500     3.500     0.000 peak  4639 weight  0.10000E+01 volume -0.23070E+01 ppm1      2.499 ppm2      4.381
 ASSI { 4465}
   (( segid "IL13" and resid 24   and name HA  ))
   (( segid "IL13" and resid 24   and name HG1 ))
      3.500     3.500     0.000 peak  4465 weight  0.10000E+01 volume -0.12000E+01 ppm1      4.406 ppm2      2.423
 ASSI { 4678}
   (( segid "IL13" and resid 27   and name HA  ))
   (( segid "IL13" and resid 27   and name HG2 ))
      3.500     3.500     0.000 peak  4678 weight  0.10000E+01 volume -0.12510E+01 ppm1      4.357 ppm2      2.031
 ASSI { 4483}
   (( segid "IL13" and resid 28   and name HB1 ))
   (  segid "IL13" and resid 28   and name HD1%)
      5.000     5.000     0.000 peak  4483 weight  0.10000E+01 volume  0.40600E+00 ppm1      1.616 ppm2      0.947
 ASSI { 4237}
   (  segid "IL13" and resid 28   and name HD1%)
   (( segid "IL13" and resid 28   and name HA  ))
      3.500     3.500     0.000 peak  4237 weight  0.10000E+01 volume -0.12550E+01 ppm1      0.934 ppm2      4.283
 ASSI { 4489}
   (( segid "IL13" and resid 28   and name HG  ))
   (  segid "IL13" and resid 28   and name HD1%)
      5.000     5.000     0.000 peak  4489 weight  0.10000E+01 volume  0.59700E+00 ppm1      1.710 ppm2      0.944
 ASSI { 4766}
   (  segid "IL13" and resid 33   and name HE% )
   (( segid "IL13" and resid 90   and name HA  ))
      3.500     3.500     0.000 peak  4766 weight  0.10000E+01 volume  0.13560E+01 ppm1      1.908 ppm2      4.680
 ASSI { 4535}
   (( segid "IL13" and resid 34   and name HA  ))
   (  segid "IL13" and resid 34   and name HG1%)
      3.500     3.500     0.000 peak  4535 weight  0.10000E+01 volume -0.12780E+01 ppm1      4.455 ppm2      0.464
 ASSI {  472}
   (  segid "IL13" and resid 34   and name HG2%)
   (( segid "IL13" and resid 90   and name HG11))
      5.000     5.000     0.000 peak   472 weight  0.10000E+01 volume -0.10400E+00 ppm1      0.274 ppm2      1.444
 ASSI { 5951}
   (( segid "IL13" and resid 36   and name HA  ))
   (  segid "IL13" and resid 95   and name HD% )
      3.500     3.500     0.000 peak  5951 weight  0.10000E+01 volume -0.14260E+01 ppm1      4.553 ppm2      7.123
 ASSI { 4762}
   (( segid "IL13" and resid 36   and name HB2 ))
   (  segid "IL13" and resid 90   and name HD1%)
      5.000     5.000     0.000 peak  4762 weight  0.10000E+01 volume  0.33600E+00 ppm1      3.957 ppm2      0.956
 ASSI { 4760}
   (( segid "IL13" and resid 36   and name HB1 ))
   (  segid "IL13" and resid 90   and name HG2%)
      5.000     5.000     0.000 peak  4760 weight  0.10000E+01 volume  0.26300E+00 ppm1      4.061 ppm2      0.955
 ASSI { 5092}
   (( segid "IL13" and resid 38   and name HB1 ))
   (  segid "IL13" and resid 40   and name HG2%)
      5.000     5.000     0.000 peak  5092 weight  0.10000E+01 volume  0.24900E+00 ppm1      2.777 ppm2      1.153
 ASSI { 5094}
   (( segid "IL13" and resid 39   and name HA  ))
   (  segid "IL13" and resid 39   and name HD2%)
      3.500     3.500     0.000 peak  5094 weight  0.10000E+01 volume -0.11470E+01 ppm1      3.966 ppm2      0.562
 ASSI { 4732}
   (( segid "IL13" and resid 39   and name HB2 ))
   (  segid "IL13" and resid 39   and name HD2%)
      5.000     5.000     0.000 peak  4732 weight  0.10000E+01 volume  0.28000E+00 ppm1      1.318 ppm2      0.467
 ASSI { 5113}
   (  segid "IL13" and resid 39   and name HD1%)
   (( segid "IL13" and resid 39   and name HB1 ))
      5.000     5.000     0.000 peak  5113 weight  0.10000E+01 volume  0.43400E+00 ppm1      0.664 ppm2      0.591
 ASSI { 5111}
   (  segid "IL13" and resid 39   and name HD2%)
   (( segid "IL13" and resid 39   and name HB1 ))
      5.000     5.000     0.000 peak  5111 weight  0.10000E+01 volume  0.89600E+00 ppm1      0.517 ppm2      0.546
 ASSI { 5210}
   (  segid "IL13" and resid 43   and name HE% )
   (( segid "IL13" and resid 43   and name HB1 ))
      5.000     5.000     0.000 peak  5210 weight  0.10000E+01 volume -0.66400E+00 ppm1      1.472 ppm2      2.227
 ASSI { 4657}
   (  segid "IL13" and resid 46   and name HB% )
   (( segid "IL13" and resid 46   and name HA  ))
      3.500     3.500     0.000 peak  4657 weight  0.10000E+01 volume  0.15580E+01 ppm1      1.466 ppm2      4.175
 ASSI { 4461}
   (  segid "IL13" and resid 47   and name HB% )
   (( segid "IL13" and resid 47   and name HA  ))
      3.500     3.500     0.000 peak  4461 weight  0.10000E+01 volume  0.13970E+01 ppm1      1.640 ppm2      4.374
 ASSI { 5215}
   (  segid "IL13" and resid 48   and name HD2%)
   (( segid "IL13" and resid 68   and name HB2 ))
      5.000     5.000     0.000 peak  5215 weight  0.10000E+01 volume -0.43600E+00 ppm1      1.056 ppm2      4.088
 ASSI { 5281}
   (  segid "IL13" and resid 48   and name HD2%)
   (( segid "IL13" and resid 75   and name HB  ))
      5.000     5.000     0.000 peak  5281 weight  0.10000E+01 volume  0.39700E+00 ppm1      1.056 ppm2      2.010
 ASSI { 5278}
   (( segid "IL13" and resid 48   and name HG  ))
   (( segid "IL13" and resid 48   and name HA  ))
      5.000     5.000     0.000 peak  5278 weight  0.10000E+01 volume -0.10200E+01 ppm1      1.619 ppm2      4.088
 ASSI {  433}
   (  segid "IL13" and resid 52   and name HD1%)
   (  segid "IL13" and resid 48   and name HD1%)
      5.000     5.000     0.000 peak   433 weight  0.10000E+01 volume -0.24000E-01 ppm1      0.861 ppm2      1.150
 ASSI { 5182}
   (  segid "IL13" and resid 52   and name HD1%)
   (  segid "IL13" and resid 77   and name HB% )
      5.000     5.000     0.000 peak  5182 weight  0.10000E+01 volume  0.81000E-01 ppm1      0.857 ppm2      1.382
 ASSI { 4758}
   (( segid "IL13" and resid 60   and name HA  ))
   (( segid "IL13" and resid 63   and name HB  ))
      3.500     3.500     0.000 peak  4758 weight  0.10000E+01 volume  0.16290E+01 ppm1      4.586 ppm2      4.204
 ASSI { 5159}
   (( segid "IL13" and resid 62   and name HA  ))
   (( segid "IL13" and resid 62   and name HG2 ))
      3.500     3.500     0.000 peak  5159 weight  0.10000E+01 volume -0.20310E+01 ppm1      3.991 ppm2      1.542
 ASSI { 4511}
   (( segid "IL13" and resid 63   and name HA  ))
   (  segid "IL13" and resid 63   and name HG2%)
      3.500     3.500     0.000 peak  4511 weight  0.10000E+01 volume -0.13150E+01 ppm1      3.624 ppm2      0.954
 ASSI { 6072}
   (( segid "IL13" and resid 63   and name HA  ))
   (( segid "IL13" and resid 66   and name HB1 ))
      3.500     3.500     0.000 peak  6072 weight  0.10000E+01 volume -0.13860E+01 ppm1      3.624 ppm2      2.227
 ASSI {  633}
   (( segid "IL13" and resid 63   and name HA  ))
   (  segid "IL13" and resid 67   and name HD2%)
      5.000     5.000     0.000 peak   633 weight  0.10000E+01 volume -0.45900E+00 ppm1      3.624 ppm2      1.052
 ASSI { 5285}
   (  segid "IL13" and resid 67   and name HD1%)
   (( segid "IL13" and resid 64   and name HA  ))
      5.000     5.000     0.000 peak  5285 weight  0.10000E+01 volume -0.28800E+00 ppm1      0.885 ppm2      3.696
 ASSI {  358}
   (( segid "IL13" and resid 70   and name HB2 ))
   (  segid "IL13" and resid 70   and name HD% )
      3.500     3.500     0.000 peak   358 weight  0.10000E+01 volume  0.24090E+01 ppm1      2.645 ppm2      6.927
 OR {  358}
   (( segid "IL13" and resid 70   and name HB1 ))
   (  segid "IL13" and resid 70   and name HD% )
 ASSI { 4652}
   (( segid "IL13" and resid 74   and name HA  ))
   (( segid "IL13" and resid 74   and name HB2 ))
      2.700     2.700     0.000 peak  4652 weight  0.10000E+01 volume -0.54550E+01 ppm1      4.333 ppm2      1.835
 OR { 4652}
   (( segid "IL13" and resid 74   and name HA  ))
   (( segid "IL13" and resid 74   and name HB1 ))
 ASSI { 5151}
   (( segid "IL13" and resid 75   and name HA  ))
   (  segid "IL13" and resid 75   and name HG1%)
      3.500     3.500     0.000 peak  5151 weight  0.10000E+01 volume -0.15620E+01 ppm1      4.431 ppm2      0.954
 ASSI { 5305}
   (  segid "IL13" and resid 75   and name HG2%)
   (( segid "IL13" and resid 49   and name HG1 ))
      5.000     5.000     0.000 peak  5305 weight  0.10000E+01 volume  0.25600E+00 ppm1      1.032 ppm2      2.624
 ASSI { 5212}
   (  segid "IL13" and resid 85   and name HG1%)
   (( segid "IL13" and resid 85   and name HA  ))
      3.500     3.500     0.000 peak  5212 weight  0.10000E+01 volume -0.17370E+01 ppm1      0.861 ppm2      3.892
 ASSI { 5463}
   (  segid "IL13" and resid 90   and name HD1%)
   (( segid "IL13" and resid 94   and name HB2 ))
      5.000     5.000     0.000 peak  5463 weight  0.10000E+01 volume -0.46000E+00 ppm1      0.959 ppm2      2.227
 ASSI { 4564}
   (( segid "IL13" and resid 91   and name HG2 ))
   (( segid "IL13" and resid 91   and name HA  ))
      3.500     3.500     0.000 peak  4564 weight  0.10000E+01 volume -0.14950E+01 ppm1      2.471 ppm2      4.541
 ASSI { 4480}
   (  segid "IL13" and resid 92   and name HG2%)
   (  segid "IL13" and resid 34   and name HG2%)
      5.000     5.000     0.000 peak  4480 weight  0.10000E+01 volume -0.36000E-01 ppm1      0.910 ppm2      0.269
 ASSI { 5465}
   (( segid "IL13" and resid 94   and name HB1 ))
   (  segid "IL13" and resid 90   and name HD1%)
      5.000     5.000     0.000 peak  5465 weight  0.10000E+01 volume -0.20600E+00 ppm1      2.352 ppm2      0.954
 ASSI { 4507}
   (( segid "IL13" and resid 97   and name HB1 ))
   (( segid "IL13" and resid 97   and name HD2 ))
      3.500     3.500     0.000 peak  4507 weight  0.10000E+01 volume  0.35450E+01 ppm1      2.003 ppm2      1.718
 ASSI { 5372}
   (  segid "IL13" and resid 101  and name HD2%)
   (( segid "IL13" and resid 101  and name HG  ))
      3.500     3.500     0.000 peak  5372 weight  0.10000E+01 volume  0.15140E+01 ppm1      0.907 ppm2      1.827
 ASSI { 5356}
   (( segid "IL13" and resid 104  and name HA  ))
   (( segid "IL13" and resid 107  and name HB1 ))
      3.500     3.500     0.000 peak  5356 weight  0.10000E+01 volume -0.12610E+01 ppm1      3.966 ppm2      3.179
 OR { 5356}
   (( segid "IL13" and resid 104  and name HA  ))
   (( segid "IL13" and resid 107  and name HB2 ))
 ASSI { 4222}
   (( segid "IL13" and resid 105  and name HB1 ))
   (( segid "IL13" and resid 102  and name HA  ))
      3.500     3.500     0.000 peak  4222 weight  0.10000E+01 volume -0.21230E+01 ppm1      2.059 ppm2      4.381
 ASSI { 5355}
   (( segid "IL13" and resid 107  and name HB1 ))
   (( segid "IL13" and resid 104  and name HA  ))
      3.500     3.500     0.000 peak  5355 weight  0.10000E+01 volume -0.11450E+01 ppm1      3.208 ppm2      3.990
 ASSI { 5346}
   (( segid "IL13" and resid 112  and name HB2 ))
   (( segid "IL13" and resid 112  and name HA  ))
      3.500     3.500     0.000 peak  5346 weight  0.10000E+01 volume -0.20410E+01 ppm1      2.866 ppm2      4.773
 ASSI {  258}
   (( segid "IL13" and resid 8    and name HB  ))
   (( segid "IL13" and resid 9    and name HN  ))
      3.500     3.500     0.000 peak   258 weight  0.10000E+01 volume  0.10120E+01 ppm1      4.223 ppm2      7.995
 ASSI { 6240}
   (( segid "IL13" and resid 11   and name HA  ))
   (( segid "IL13" and resid 11   and name HN  ))
      3.500     3.500     0.000 peak  6240 weight  0.10000E+01 volume  0.14000E+01 ppm1      3.572 ppm2      8.233
 ASSI { 6179}
   (( segid "IL13" and resid 12   and name HA  ))
   (( segid "IL13" and resid 12   and name HN  ))
      3.500     3.500     0.000 peak  6179 weight  0.10000E+01 volume  0.16270E+01 ppm1      3.973 ppm2      8.299
 ASSI { 6266}
   (( segid "IL13" and resid 14   and name HA  ))
   (( segid "IL13" and resid 14   and name HN  ))
      3.500     3.500     0.000 peak  6266 weight  0.10000E+01 volume  0.12180E+01 ppm1      3.378 ppm2      8.387
 ASSI { 6161}
   (  segid "IL13" and resid 14   and name HD1%)
   (( segid "IL13" and resid 14   and name HN  ))
      5.000     5.000     0.000 peak  6161 weight  0.10000E+01 volume  0.35300E+00 ppm1      0.600 ppm2      8.419
 ASSI { 6162}
   (  segid "IL13" and resid 14   and name HD1%)
   (( segid "IL13" and resid 104  and name HN  ))
      5.000     5.000     0.000 peak  6162 weight  0.10000E+01 volume  0.26900E+00 ppm1      0.602 ppm2      8.623
 ASSI {  256}
   (( segid "IL13" and resid 14   and name HG12))
   (( segid "IL13" and resid 14   and name HN  ))
      5.000     5.000     0.000 peak   256 weight  0.10000E+01 volume -0.58800E+00 ppm1      0.736 ppm2      8.404
 ASSI { 6214}
   (( segid "IL13" and resid 15   and name HA  ))
   (( segid "IL13" and resid 15   and name HN  ))
      3.500     3.500     0.000 peak  6214 weight  0.10000E+01 volume  0.13520E+01 ppm1      3.851 ppm2      8.245
 ASSI { 6217}
   (( segid "IL13" and resid 15   and name HA  ))
   (( segid "IL13" and resid 16   and name HN  ))
      5.000     5.000     0.000 peak  6217 weight  0.10000E+01 volume  0.89700E+00 ppm1      3.852 ppm2      7.864
 ASSI {  247}
   (( segid "IL13" and resid 15   and name HA  ))
   (( segid "IL13" and resid 18   and name HN  ))
      3.500     3.500     0.000 peak   247 weight  0.10000E+01 volume  0.12080E+01 ppm1      3.847 ppm2      8.786
 ASSI { 6235}
   (( segid "IL13" and resid 15   and name HG1 ))
   (( segid "IL13" and resid 15   and name HN  ))
      3.500     3.500     0.000 peak  6235 weight  0.10000E+01 volume -0.14500E+01 ppm1      2.461 ppm2      8.271
 ASSI { 6234}
   (( segid "IL13" and resid 15   and name HG2 ))
   (( segid "IL13" and resid 15   and name HN  ))
      3.500     3.500     0.000 peak  6234 weight  0.10000E+01 volume -0.17620E+01 ppm1      2.273 ppm2      8.271
 ASSI { 6241}
   (( segid "IL13" and resid 17   and name HG  ))
   (( segid "IL13" and resid 17   and name HN  ))
      3.500     3.500     0.000 peak  6241 weight  0.10000E+01 volume -0.13550E+01 ppm1      2.162 ppm2      8.316
 ASSI { 6100}
   (  segid "IL13" and resid 18   and name HG2%)
   (( segid "IL13" and resid 18   and name HN  ))
      5.000     5.000     0.000 peak  6100 weight  0.10000E+01 volume -0.43000E+00 ppm1      0.868 ppm2      8.803
 ASSI { 6098}
   (  segid "IL13" and resid 18   and name HG2%)
   (( segid "IL13" and resid 19   and name HN  ))
      5.000     5.000     0.000 peak  6098 weight  0.10000E+01 volume -0.45100E+00 ppm1      0.879 ppm2      8.050
 ASSI { 6289}
   (( segid "IL13" and resid 19   and name HB1 ))
   (( segid "IL13" and resid 19   and name HD21))
      3.500     3.500     0.000 peak  6289 weight  0.10000E+01 volume -0.12660E+01 ppm1      3.103 ppm2      7.519
 ASSI {  262}
   (( segid "IL13" and resid 20   and name HA  ))
   (( segid "IL13" and resid 20   and name HN  ))
      3.500     3.500     0.000 peak   262 weight  0.10000E+01 volume  0.11550E+01 ppm1      4.352 ppm2      8.180
 ASSI {  146}
   (( segid "IL13" and resid 20   and name HG11))
   (( segid "IL13" and resid 97   and name HN  ))
      5.000     5.000     0.000 peak   146 weight  0.10000E+01 volume -0.69500E+00 ppm1      1.698 ppm2      7.696
 ASSI {  265}
   (( segid "IL13" and resid 28   and name HA  ))
   (( segid "IL13" and resid 29   and name HN  ))
      3.500     3.500     0.000 peak   265 weight  0.10000E+01 volume  0.21240E+01 ppm1      4.257 ppm2      9.691
 ASSI { 6221}
   (( segid "IL13" and resid 32   and name HB2 ))
   (( segid "IL13" and resid 32   and name HN  ))
      3.500     3.500     0.000 peak  6221 weight  0.10000E+01 volume  0.17050E+01 ppm1      3.824 ppm2      7.654
 ASSI { 6142}
   (  segid "IL13" and resid 34   and name HG1%)
   (( segid "IL13" and resid 35   and name HN  ))
      5.000     5.000     0.000 peak  6142 weight  0.10000E+01 volume -0.19800E+00 ppm1      0.481 ppm2      7.873
 ASSI { 6143}
   (  segid "IL13" and resid 34   and name HG2%)
   (( segid "IL13" and resid 35   and name HN  ))
      5.000     5.000     0.000 peak  6143 weight  0.10000E+01 volume  0.24500E+00 ppm1      0.242 ppm2      7.879
 ASSI { 6129}
   (  segid "IL13" and resid 37   and name HD1%)
   (( segid "IL13" and resid 47   and name HN  ))
      5.000     5.000     0.000 peak  6129 weight  0.10000E+01 volume  0.28300E+00 ppm1      0.748 ppm2      8.633
 ASSI { 6106}
   (( segid "IL13" and resid 38   and name HB1 ))
   (( segid "IL13" and resid 38   and name HN  ))
      3.500     3.500     0.000 peak  6106 weight  0.10000E+01 volume -0.10600E+01 ppm1      2.771 ppm2      8.449
 ASSI { 6107}
   (( segid "IL13" and resid 38   and name HB2 ))
   (( segid "IL13" and resid 38   and name HN  ))
      3.500     3.500     0.000 peak  6107 weight  0.10000E+01 volume -0.10180E+01 ppm1      2.693 ppm2      8.449
 ASSI {  268}
   (( segid "IL13" and resid 39   and name HA  ))
   (( segid "IL13" and resid 40   and name HN  ))
      3.500     3.500     0.000 peak   268 weight  0.10000E+01 volume  0.11750E+01 ppm1      3.976 ppm2      7.459
 ASSI { 6245}
   (  segid "IL13" and resid 39   and name HD2%)
   (( segid "IL13" and resid 40   and name HN  ))
      5.000     5.000     0.000 peak  6245 weight  0.10000E+01 volume -0.27100E+00 ppm1      0.503 ppm2      7.386
 ASSI { 6244}
   (  segid "IL13" and resid 39   and name HD2%)
   (( segid "IL13" and resid 102  and name HD2 ))
      5.000     5.000     0.000 peak  6244 weight  0.10000E+01 volume -0.19600E+00 ppm1      0.503 ppm2      6.633
 ASSI { 6104}
   (( segid "IL13" and resid 44   and name HB2 ))
   (( segid "IL13" and resid 44   and name HN  ))
      3.500     3.500     0.000 peak  6104 weight  0.10000E+01 volume -0.13280E+01 ppm1      2.970 ppm2      7.519
 ASSI { 6219}
   (( segid "IL13" and resid 49   and name HA  ))
   (( segid "IL13" and resid 48   and name HN  ))
      5.000     5.000     0.000 peak  6219 weight  0.10000E+01 volume  0.86000E+00 ppm1      3.848 ppm2      8.066
 ASSI { 6215}
   (( segid "IL13" and resid 49   and name HA  ))
   (( segid "IL13" and resid 49   and name HN  ))
      3.500     3.500     0.000 peak  6215 weight  0.10000E+01 volume  0.12370E+01 ppm1      3.847 ppm2      8.494
 ASSI { 6181}
   (( segid "IL13" and resid 52   and name HB  ))
   (( segid "IL13" and resid 52   and name HN  ))
      3.500     3.500     0.000 peak  6181 weight  0.10000E+01 volume -0.21930E+01 ppm1      2.008 ppm2      8.847
 ASSI { 6110}
   (  segid "IL13" and resid 52   and name HG2%)
   (( segid "IL13" and resid 52   and name HN  ))
      5.000     5.000     0.000 peak  6110 weight  0.10000E+01 volume  0.76400E+00 ppm1      0.900 ppm2      8.835
 ASSI { 6301}
   (  segid "IL13" and resid 52   and name HG2%)
   (( segid "IL13" and resid 53   and name HD21))
      5.000     5.000     0.000 peak  6301 weight  0.10000E+01 volume  0.23300E+00 ppm1      0.904 ppm2      7.726
 ASSI { 6109}
   (  segid "IL13" and resid 52   and name HG2%)
   (( segid "IL13" and resid 53   and name HN  ))
      5.000     5.000     0.000 peak  6109 weight  0.10000E+01 volume  0.45600E+00 ppm1      0.898 ppm2      7.048
 ASSI { 6291}
   (( segid "IL13" and resid 53   and name HB1 ))
   (( segid "IL13" and resid 53   and name HD21))
      5.000     5.000     0.000 peak  6291 weight  0.10000E+01 volume -0.83300E+00 ppm1      2.992 ppm2      7.696
 ASSI { 6290}
   (( segid "IL13" and resid 53   and name HB2 ))
   (( segid "IL13" and resid 53   and name HD21))
      5.000     5.000     0.000 peak  6290 weight  0.10000E+01 volume -0.81700E+00 ppm1      2.660 ppm2      7.740
 ASSI { 6293}
   (( segid "IL13" and resid 53   and name HB1 ))
   (( segid "IL13" and resid 53   and name HN  ))
      3.500     3.500     0.000 peak  6293 weight  0.10000E+01 volume -0.12780E+01 ppm1      3.003 ppm2      7.076
 ASSI { 6292}
   (( segid "IL13" and resid 53   and name HB2 ))
   (( segid "IL13" and resid 53   and name HN  ))
      3.500     3.500     0.000 peak  6292 weight  0.10000E+01 volume -0.14500E+01 ppm1      2.671 ppm2      7.076
 ASSI { 6284}
   (( segid "IL13" and resid 54   and name HB  ))
   (( segid "IL13" and resid 54   and name HN  ))
      3.500     3.500     0.000 peak  6284 weight  0.10000E+01 volume -0.21360E+01 ppm1      2.151 ppm2      7.474
 ASSI { 6199}
   (  segid "IL13" and resid 54   and name HG2%)
   (( segid "IL13" and resid 53   and name HN  ))
      5.000     5.000     0.000 peak  6199 weight  0.10000E+01 volume -0.22900E+00 ppm1      0.802 ppm2      7.076
 ASSI { 6222}
   (( segid "IL13" and resid 55   and name HB1 ))
   (( segid "IL13" and resid 55   and name HN  ))
      3.500     3.500     0.000 peak  6222 weight  0.10000E+01 volume  0.16350E+01 ppm1      3.821 ppm2      8.432
 OR { 6222}
   (( segid "IL13" and resid 55   and name HB2 ))
   (( segid "IL13" and resid 55   and name HN  ))
 ASSI {  226}
   (  segid "IL13" and resid 59   and name HB% )
   (( segid "IL13" and resid 60   and name HN  ))
      5.000     5.000     0.000 peak   226 weight  0.10000E+01 volume -0.25900E+00 ppm1      1.488 ppm2      7.031
 ASSI { 6203}
   (( segid "IL13" and resid 60   and name HG11))
   (( segid "IL13" and resid 60   and name HN  ))
      5.000     5.000     0.000 peak  6203 weight  0.10000E+01 volume -0.92100E+00 ppm1      1.499 ppm2      7.031
 ASSI { 6197}
   (  segid "IL13" and resid 60   and name HG2%)
   (( segid "IL13" and resid 60   and name HN  ))
      5.000     5.000     0.000 peak  6197 weight  0.10000E+01 volume  0.82400E+00 ppm1      0.972 ppm2      7.048
 ASSI { 6210}
   (( segid "IL13" and resid 61   and name HA  ))
   (( segid "IL13" and resid 61   and name HN  ))
      3.500     3.500     0.000 peak  6210 weight  0.10000E+01 volume  0.12310E+01 ppm1      4.171 ppm2      7.576
 ASSI {  287}
   (( segid "IL13" and resid 61   and name HG1 ))
   (( segid "IL13" and resid 61   and name HN  ))
      3.500     3.500     0.000 peak   287 weight  0.10000E+01 volume -0.11460E+01 ppm1      2.561 ppm2      7.563
 ASSI {  252}
   (( segid "IL13" and resid 62   and name HB1 ))
   (( segid "IL13" and resid 62   and name HN  ))
      3.500     3.500     0.000 peak   252 weight  0.10000E+01 volume -0.16310E+01 ppm1      1.952 ppm2      8.803
 ASSI { 6269}
   (( segid "IL13" and resid 63   and name HB  ))
   (( segid "IL13" and resid 64   and name HN  ))
      3.500     3.500     0.000 peak  6269 weight  0.10000E+01 volume  0.11670E+01 ppm1      4.200 ppm2      8.178
 ASSI { 6216}
   (( segid "IL13" and resid 64   and name HA  ))
   (( segid "IL13" and resid 64   and name HN  ))
      3.500     3.500     0.000 peak  6216 weight  0.10000E+01 volume  0.10660E+01 ppm1      3.727 ppm2      8.147
 ASSI { 6185}
   (( segid "IL13" and resid 64   and name HG1 ))
   (( segid "IL13" and resid 64   and name HE21))
      5.000     5.000     0.000 peak  6185 weight  0.10000E+01 volume -0.86900E+00 ppm1      2.594 ppm2      6.899
 ASSI { 6182}
   (( segid "IL13" and resid 64   and name HG2 ))
   (( segid "IL13" and resid 64   and name HN  ))
      5.000     5.000     0.000 peak  6182 weight  0.10000E+01 volume -0.78200E+00 ppm1      1.842 ppm2      8.183
 ASSI { 6280}
   (( segid "IL13" and resid 66   and name HB1 ))
   (( segid "IL13" and resid 67   and name HN  ))
      5.000     5.000     0.000 peak  6280 weight  0.10000E+01 volume -0.54100E+00 ppm1      2.196 ppm2      8.891
 OR { 6280}
   (( segid "IL13" and resid 66   and name HB2 ))
   (( segid "IL13" and resid 67   and name HN  ))
 ASSI { 6278}
   (( segid "IL13" and resid 66   and name HG1 ))
   (( segid "IL13" and resid 66   and name HN  ))
      3.500     3.500     0.000 peak  6278 weight  0.10000E+01 volume -0.10260E+01 ppm1      2.959 ppm2      9.069
 ASSI { 6102}
   (  segid "IL13" and resid 67   and name HD2%)
   (( segid "IL13" and resid 70   and name HN  ))
      5.000     5.000     0.000 peak  6102 weight  0.10000E+01 volume -0.27900E+00 ppm1      1.090 ppm2      7.474
 ASSI {  195}
   (( segid "IL13" and resid 69   and name HA1 ))
   (( segid "IL13" and resid 70   and name HN  ))
      3.500     3.500     0.000 peak   195 weight  0.10000E+01 volume -0.24920E+01 ppm1      3.999 ppm2      7.474
 ASSI {  196}
   (( segid "IL13" and resid 69   and name HA2 ))
   (( segid "IL13" and resid 70   and name HN  ))
      3.500     3.500     0.000 peak   196 weight  0.10000E+01 volume -0.27260E+01 ppm1      3.667 ppm2      7.474
 ASSI {  200}
   (( segid "IL13" and resid 71   and name HB1 ))
   (( segid "IL13" and resid 71   and name HN  ))
      3.500     3.500     0.000 peak   200 weight  0.10000E+01 volume -0.14440E+01 ppm1      3.324 ppm2      7.519
 ASSI {  204}
   (( segid "IL13" and resid 71   and name HB2 ))
   (( segid "IL13" and resid 71   and name HN  ))
      3.500     3.500     0.000 peak   204 weight  0.10000E+01 volume -0.12200E+01 ppm1      2.450 ppm2      7.519
 ASSI {  267}
   (( segid "IL13" and resid 77   and name HA  ))
   (( segid "IL13" and resid 77   and name HN  ))
      3.500     3.500     0.000 peak   267 weight  0.10000E+01 volume  0.19940E+01 ppm1      4.103 ppm2      8.687
 ASSI {  257}
   (( segid "IL13" and resid 88   and name HB  ))
   (( segid "IL13" and resid 88   and name HN  ))
      3.500     3.500     0.000 peak   257 weight  0.10000E+01 volume  0.11350E+01 ppm1      4.158 ppm2      8.415
 ASSI { 6134}
   (  segid "IL13" and resid 90   and name HD1%)
   (( segid "IL13" and resid 95   and name HN  ))
      5.000     5.000     0.000 peak  6134 weight  0.10000E+01 volume  0.30100E+00 ppm1      0.954 ppm2      8.223
 ASSI { 6198}
   (  segid "IL13" and resid 90   and name HG2%)
   (( segid "IL13" and resid 90   and name HN  ))
      5.000     5.000     0.000 peak  6198 weight  0.10000E+01 volume  0.40600E+00 ppm1      0.968 ppm2      9.258
 ASSI { 6180}
   (( segid "IL13" and resid 91   and name HG2 ))
   (( segid "IL13" and resid 91   and name HN  ))
      3.500     3.500     0.000 peak  6180 weight  0.10000E+01 volume -0.10580E+01 ppm1      2.472 ppm2      8.847
 ASSI { 6271}
   (( segid "IL13" and resid 92   and name HA  ))
   (( segid "IL13" and resid 92   and name HN  ))
      3.500     3.500     0.000 peak  6271 weight  0.10000E+01 volume  0.11160E+01 ppm1      3.641 ppm2      8.590
 ASSI { 6209}
   (( segid "IL13" and resid 93   and name HA  ))
   (( segid "IL13" and resid 93   and name HN  ))
      3.500     3.500     0.000 peak  6209 weight  0.10000E+01 volume  0.13100E+01 ppm1      3.988 ppm2      9.408
 ASSI { 6166}
   (  segid "IL13" and resid 93   and name HB% )
   (( segid "IL13" and resid 93   and name HN  ))
      3.500     3.500     0.000 peak  6166 weight  0.10000E+01 volume  0.11040E+01 ppm1      1.588 ppm2      9.405
 ASSI { 6167}
   (  segid "IL13" and resid 93   and name HB% )
   (( segid "IL13" and resid 94   and name HN  ))
      5.000     5.000     0.000 peak  6167 weight  0.10000E+01 volume  0.58900E+00 ppm1      1.587 ppm2      6.992
 ASSI {  243}
   (( segid "IL13" and resid 94   and name HA  ))
   (( segid "IL13" and resid 94   and name HN  ))
      3.500     3.500     0.000 peak   243 weight  0.10000E+01 volume  0.99400E+00 ppm1      4.014 ppm2      7.002
 ASSI { 6172}
   (( segid "IL13" and resid 94   and name HB1 ))
   (( segid "IL13" and resid 94   and name HN  ))
      3.500     3.500     0.000 peak  6172 weight  0.10000E+01 volume -0.10740E+01 ppm1      2.339 ppm2      6.987
 ASSI { 6173}
   (( segid "IL13" and resid 94   and name HB2 ))
   (( segid "IL13" and resid 94   and name HN  ))
      3.500     3.500     0.000 peak  6173 weight  0.10000E+01 volume -0.10380E+01 ppm1      2.218 ppm2      6.987
 ASSI { 6175}
   (( segid "IL13" and resid 94   and name HB1 ))
   (( segid "IL13" and resid 95   and name HN  ))
      5.000     5.000     0.000 peak  6175 weight  0.10000E+01 volume -0.74400E+00 ppm1      2.328 ppm2      8.227
 ASSI { 6275}
   (( segid "IL13" and resid 94   and name HG2 ))
   (( segid "IL13" and resid 94   and name HE21))
      3.500     3.500     0.000 peak  6275 weight  0.10000E+01 volume -0.19940E+01 ppm1      2.494 ppm2      8.050
 ASSI { 6273}
   (( segid "IL13" and resid 94   and name HG2 ))
   (( segid "IL13" and resid 94   and name HE22))
      3.500     3.500     0.000 peak  6273 weight  0.10000E+01 volume -0.16400E+01 ppm1      2.494 ppm2      6.987
 OR { 6273}
   (( segid "IL13" and resid 94   and name HG1 ))
   (( segid "IL13" and resid 94   and name HE22))
 ASSI {  512}
   (( segid "IL13" and resid 97   and name HB2 ))
   (( segid "IL13" and resid 94   and name HE22))
      5.000     5.000     0.000 peak   512 weight  0.10000E+01 volume -0.79000E+00 ppm1      1.985 ppm2      6.943
 ASSI { 6264}
   (( segid "IL13" and resid 98   and name HB2 ))
   (( segid "IL13" and resid 98   and name HN  ))
      3.500     3.500     0.000 peak  6264 weight  0.10000E+01 volume -0.13060E+01 ppm1      2.450 ppm2      8.404
 ASSI { 6138}
   (  segid "IL13" and resid 99   and name HD1%)
   (( segid "IL13" and resid 100  and name HN  ))
      5.000     5.000     0.000 peak  6138 weight  0.10000E+01 volume -0.79000E-01 ppm1      0.758 ppm2      8.626
 ASSI { 6211}
   (( segid "IL13" and resid 102  and name HA  ))
   (( segid "IL13" and resid 102  and name HN  ))
      3.500     3.500     0.000 peak  6211 weight  0.10000E+01 volume  0.13380E+01 ppm1      4.376 ppm2      7.678
 ASSI {  273}
   (( segid "IL13" and resid 102  and name HB1 ))
   (( segid "IL13" and resid 102  and name HN  ))
      3.500     3.500     0.000 peak   273 weight  0.10000E+01 volume -0.14500E+01 ppm1      3.180 ppm2      7.696
 ASSI {  272}
   (( segid "IL13" and resid 102  and name HB2 ))
   (( segid "IL13" and resid 102  and name HN  ))
      3.500     3.500     0.000 peak   272 weight  0.10000E+01 volume -0.16480E+01 ppm1      3.103 ppm2      7.696
 ASSI {  250}
   (( segid "IL13" and resid 104  and name HA  ))
   (( segid "IL13" and resid 104  and name HN  ))
      3.500     3.500     0.000 peak   250 weight  0.10000E+01 volume  0.16720E+01 ppm1      3.961 ppm2      8.628
 ASSI {  184}
   (( segid "IL13" and resid 104  and name HG1 ))
   (( segid "IL13" and resid 104  and name HN  ))
      5.000     5.000     0.000 peak   184 weight  0.10000E+01 volume -0.86500E+00 ppm1      1.786 ppm2      8.626
 ASSI {  242}
   (( segid "IL13" and resid 105  and name HA  ))
   (( segid "IL13" and resid 105  and name HN  ))
      3.500     3.500     0.000 peak   242 weight  0.10000E+01 volume  0.12930E+01 ppm1      4.045 ppm2      7.412
 ASSI { 6285}
   (( segid "IL13" and resid 105  and name HB1 ))
   (( segid "IL13" and resid 105  and name HN  ))
      3.500     3.500     0.000 peak  6285 weight  0.10000E+01 volume -0.20990E+01 ppm1      2.074 ppm2      7.386
 ASSI {  278}
   (( segid "IL13" and resid 107  and name HB1 ))
   (( segid "IL13" and resid 107  and name HN  ))
      3.500     3.500     0.000 peak   278 weight  0.10000E+01 volume -0.17350E+01 ppm1      3.191 ppm2      8.670
 ASSI {  279}
   (( segid "IL13" and resid 107  and name HB2 ))
   (( segid "IL13" and resid 107  and name HN  ))
      3.500     3.500     0.000 peak   279 weight  0.10000E+01 volume -0.15850E+01 ppm1      3.147 ppm2      8.626
 ASSI {  203}
   (( segid "IL13" and resid 108  and name HD2 ))
   (( segid "IL13" and resid 108  and name HN  ))
      5.000     5.000     0.000 peak   203 weight  0.10000E+01 volume -0.81000E+00 ppm1      3.291 ppm2      8.050
 OR {  203}
   (( segid "IL13" and resid 108  and name HD1 ))
   (( segid "IL13" and resid 108  and name HN  ))
 ASSI { 6238}
   (( segid "IL13" and resid 109  and name HG1 ))
   (( segid "IL13" and resid 109  and name HN  ))
      3.500     3.500     0.000 peak  6238 weight  0.10000E+01 volume -0.10500E+01 ppm1      2.494 ppm2      7.961
 ASSI {  197}
   (( segid "IL13" and resid 110  and name HA1 ))
   (( segid "IL13" and resid 110  and name HN  ))
      3.500     3.500     0.000 peak   197 weight  0.10000E+01 volume -0.18180E+01 ppm1      3.744 ppm2      7.784
 ASSI {  198}
   (( segid "IL13" and resid 110  and name HA2 ))
   (( segid "IL13" and resid 111  and name HN  ))
      3.500     3.500     0.000 peak   198 weight  0.10000E+01 volume -0.14180E+01 ppm1      3.446 ppm2      7.740
 ASSI {  249}
   (( segid "IL13" and resid 13   and name HN  ))
   (( segid "IL13" and resid 12   and name HA  ))
      5.000     5.000     0.000 peak   249 weight  0.10000E+01 volume  0.10630E+01 ppm1      7.893 ppm2      3.968
 ASSI { 6297}
   (( segid "IL13" and resid 22   and name HE22))
   (( segid "IL13" and resid 22   and name HG2 ))
      5.000     5.000     0.000 peak  6297 weight  0.10000E+01 volume  0.83400E+00 ppm1      6.855 ppm2      2.509
 OR { 6297}
   (( segid "IL13" and resid 22   and name HE22))
   (( segid "IL13" and resid 22   and name HG1 ))
 ASSI { 6113}
   (( segid "IL13" and resid 36   and name HN  ))
   (  segid "IL13" and resid 34   and name HG2%)
      5.000     5.000     0.000 peak  6113 weight  0.10000E+01 volume  0.18900E+00 ppm1      8.762 ppm2      0.247
 ASSI {  239}
   (( segid "IL13" and resid 44   and name HN  ))
   (( segid "IL13" and resid 43   and name HA  ))
      5.000     5.000     0.000 peak   239 weight  0.10000E+01 volume  0.11260E+01 ppm1      7.541 ppm2      4.259
 ASSI { 6189}
   (( segid "IL13" and resid 64   and name HE21))
   (( segid "IL13" and resid 64   and name HG2 ))
      3.500     3.500     0.000 peak  6189 weight  0.10000E+01 volume  0.17920E+01 ppm1      6.979 ppm2      1.846
 ASSI { 3070}
   (( segid "IL13" and resid 64   and name HE22))
   (( segid "IL13" and resid 64   and name HG2 ))
      3.500     3.500     0.000 peak  3070 weight  0.10000E+01 volume  0.19380E+01 ppm1      6.878 ppm2      1.834
 ASSI { 6115}
   (( segid "IL13" and resid 90   and name HN  ))
   (  segid "IL13" and resid 34   and name HG2%)
      5.000     5.000     0.000 peak  6115 weight  0.10000E+01 volume  0.10000E+00 ppm1      9.245 ppm2      0.247
 ASSI { 6159}
   (( segid "IL13" and resid 92   and name HN  ))
   (  segid "IL13" and resid 34   and name HG1%)
      5.000     5.000     0.000 peak  6159 weight  0.10000E+01 volume  0.58000E-01 ppm1      8.618 ppm2      0.457
 ASSI { 6304}
   (( segid "IL13" and resid 109  and name HN  ))
   (( segid "IL13" and resid 106  and name HA  ))
      5.000     5.000     0.000 peak  6304 weight  0.10000E+01 volume  0.10740E+01 ppm1      7.955 ppm2      3.901
 ASSI {  189}
   (( segid "IL13" and resid 110  and name HN  ))
   (( segid "IL13" and resid 109  and name HA  ))
      3.500     3.500     0.000 peak   189 weight  0.10000E+01 volume  0.18870E+01 ppm1      7.775 ppm2      4.181
 ASSI { 5845}
   (( segid "IL13" and resid 4    and name HN  ))
   (( segid "IL13" and resid 3    and name HA  ))
      3.500     3.500     0.000 peak  5845 weight  0.10000E+01 volume  0.43820E+01 ppm1      8.279 ppm2      4.487
 ASSI { 5816}
   (( segid "IL13" and resid 4    and name HN  ))
   (( segid "IL13" and resid 4    and name HB  ))
      3.500     3.500     0.000 peak  5816 weight  0.10000E+01 volume -0.14940E+01 ppm1      8.270 ppm2      2.071
 ASSI { 5639}
   (( segid "IL13" and resid 7    and name HN  ))
   (( segid "IL13" and resid 7    and name HA  ))
      5.000     5.000     0.000 peak  5639 weight  0.10000E+01 volume  0.52000E+00 ppm1      8.183 ppm2      4.001
 ASSI { 5699}
   (( segid "IL13" and resid 12   and name HN  ))
   (( segid "IL13" and resid 12   and name HG2 ))
      5.000     5.000     0.000 peak  5699 weight  0.10000E+01 volume -0.94300E+00 ppm1      8.358 ppm2      2.248
 ASSI { 5828}
   (( segid "IL13" and resid 13   and name HN  ))
   (( segid "IL13" and resid 13   and name HB1 ))
      3.500     3.500     0.000 peak  5828 weight  0.10000E+01 volume -0.16380E+01 ppm1      7.916 ppm2      2.248
 ASSI { 5830}
   (( segid "IL13" and resid 13   and name HN  ))
   (( segid "IL13" and resid 13   and name HB2 ))
      3.500     3.500     0.000 peak  5830 weight  0.10000E+01 volume -0.12860E+01 ppm1      7.916 ppm2      1.716
 ASSI { 5827}
   (( segid "IL13" and resid 13   and name HN  ))
   (( segid "IL13" and resid 107  and name HB1 ))
      5.000     5.000     0.000 peak  5827 weight  0.10000E+01 volume -0.41500E+00 ppm1      7.916 ppm2      3.222
 OR { 5827}
   (( segid "IL13" and resid 13   and name HN  ))
   (( segid "IL13" and resid 107  and name HB2 ))
 ASSI {  345}
   (( segid "IL13" and resid 14   and name HN  ))
   (( segid "IL13" and resid 11   and name HA  ))
      5.000     5.000     0.000 peak   345 weight  0.10000E+01 volume  0.59000E+00 ppm1      8.455 ppm2      3.559
 ASSI {  339}
   (( segid "IL13" and resid 14   and name HN  ))
   (( segid "IL13" and resid 14   and name HB  ))
      3.500     3.500     0.000 peak   339 weight  0.10000E+01 volume -0.17510E+01 ppm1      8.447 ppm2      1.805
 ASSI { 5700}
   (( segid "IL13" and resid 15   and name HN  ))
   (( segid "IL13" and resid 14   and name HB  ))
      3.500     3.500     0.000 peak  5700 weight  0.10000E+01 volume -0.11010E+01 ppm1      8.270 ppm2      1.805
 ASSI { 5697}
   (( segid "IL13" and resid 15   and name HN  ))
   (  segid "IL13" and resid 14   and name HG2%)
      5.000     5.000     0.000 peak  5697 weight  0.10000E+01 volume  0.32500E+00 ppm1      8.274 ppm2      0.731
 ASSI { 5883}
   (( segid "IL13" and resid 16   and name HN  ))
   (( segid "IL13" and resid 16   and name HA  ))
      3.500     3.500     0.000 peak  5883 weight  0.10000E+01 volume  0.13310E+01 ppm1      7.833 ppm2      4.643
 ASSI { 5782}
   (( segid "IL13" and resid 18   and name HN  ))
   (( segid "IL13" and resid 18   and name HA  ))
      3.500     3.500     0.000 peak  5782 weight  0.10000E+01 volume  0.10220E+01 ppm1      8.801 ppm2      3.365
 ASSI { 5783}
   (( segid "IL13" and resid 18   and name HN  ))
   (( segid "IL13" and resid 19   and name HB1 ))
      5.000     5.000     0.000 peak  5783 weight  0.10000E+01 volume -0.45200E+00 ppm1      8.801 ppm2      3.133
 OR { 5783}
   (( segid "IL13" and resid 18   and name HN  ))
   (( segid "IL13" and resid 19   and name HB2 ))
 ASSI { 5604}
   (( segid "IL13" and resid 20   and name HN  ))
   (( segid "IL13" and resid 19   and name HB1 ))
      3.500     3.500     0.000 peak  5604 weight  0.10000E+01 volume -0.10550E+01 ppm1      8.181 ppm2      3.133
 ASSI { 5477}
   (( segid "IL13" and resid 21   and name HN  ))
   (  segid "IL13" and resid 21   and name HG2%)
      5.000     5.000     0.000 peak  5477 weight  0.10000E+01 volume -0.37800E+00 ppm1      7.561 ppm2      1.274
 ASSI { 5695}
   (( segid "IL13" and resid 23   and name HN  ))
   (( segid "IL13" and resid 22   and name HA  ))
      3.500     3.500     0.000 peak  5695 weight  0.10000E+01 volume  0.11760E+01 ppm1      8.276 ppm2      4.362
 ASSI { 5696}
   (( segid "IL13" and resid 23   and name HN  ))
   (( segid "IL13" and resid 23   and name HA  ))
      3.500     3.500     0.000 peak  5696 weight  0.10000E+01 volume  0.10230E+01 ppm1      8.273 ppm2      4.714
 ASSI { 5824}
   (( segid "IL13" and resid 26   and name HN  ))
   (( segid "IL13" and resid 26   and name HA  ))
      3.500     3.500     0.000 peak  5824 weight  0.10000E+01 volume  0.14940E+01 ppm1      7.741 ppm2      4.712
 ASSI { 5794}
   (( segid "IL13" and resid 29   and name HN  ))
   (( segid "IL13" and resid 29   and name HA  ))
      3.500     3.500     0.000 peak  5794 weight  0.10000E+01 volume  0.19900E+01 ppm1      9.697 ppm2      4.586
 ASSI { 5652}
   (( segid "IL13" and resid 30   and name HN  ))
   (( segid "IL13" and resid 30   and name HA  ))
      3.500     3.500     0.000 peak  5652 weight  0.10000E+01 volume  0.12650E+01 ppm1      8.378 ppm2      4.299
 ASSI { 5670}
   (( segid "IL13" and resid 32   and name HN  ))
   (( segid "IL13" and resid 32   and name HA  ))
      3.500     3.500     0.000 peak  5670 weight  0.10000E+01 volume  0.11710E+01 ppm1      7.660 ppm2      4.361
 ASSI { 5846}
   (( segid "IL13" and resid 33   and name HN  ))
   (( segid "IL13" and resid 32   and name HB1 ))
      3.500     3.500     0.000 peak  5846 weight  0.10000E+01 volume  0.12580E+01 ppm1      8.434 ppm2      3.823
 OR { 5846}
   (( segid "IL13" and resid 33   and name HN  ))
   (( segid "IL13" and resid 32   and name HB2 ))
 ASSI { 1131}
   (( segid "IL13" and resid 34   and name HN  ))
   (( segid "IL13" and resid 33   and name HA  ))
      3.500     3.500     0.000 peak  1131 weight  0.10000E+01 volume  0.27610E+01 ppm1      9.246 ppm2      5.081
 ASSI { 1745}
   (( segid "IL13" and resid 34   and name HN  ))
   (( segid "IL13" and resid 33   and name HB1 ))
      5.000     5.000     0.000 peak  1745 weight  0.10000E+01 volume -0.45500E+00 ppm1      9.244 ppm2      1.805
 ASSI { 1130}
   (( segid "IL13" and resid 34   and name HN  ))
   (  segid "IL13" and resid 34   and name HG2%)
      5.000     5.000     0.000 peak  1130 weight  0.10000E+01 volume  0.56800E+00 ppm1      9.243 ppm2      0.243
 ASSI { 1126}
   (( segid "IL13" and resid 34   and name HN  ))
   (  segid "IL13" and resid 92   and name HG2%)
      5.000     5.000     0.000 peak  1126 weight  0.10000E+01 volume -0.69000E-01 ppm1      9.244 ppm2      0.919
 ASSI { 5852}
   (( segid "IL13" and resid 35   and name HN  ))
   (( segid "IL13" and resid 34   and name HA  ))
      3.500     3.500     0.000 peak  5852 weight  0.10000E+01 volume  0.19370E+01 ppm1      7.917 ppm2      4.445
 ASSI { 5853}
   (( segid "IL13" and resid 35   and name HN  ))
   (( segid "IL13" and resid 34   and name HB  ))
      3.500     3.500     0.000 peak  5853 weight  0.10000E+01 volume -0.13870E+01 ppm1      7.916 ppm2      2.071
 ASSI { 5703}
   (( segid "IL13" and resid 36   and name HN  ))
   (( segid "IL13" and resid 35   and name HA  ))
      3.500     3.500     0.000 peak  5703 weight  0.10000E+01 volume  0.23430E+01 ppm1      8.795 ppm2      4.824
 ASSI { 5706}
   (( segid "IL13" and resid 36   and name HN  ))
   (( segid "IL13" and resid 36   and name HB1 ))
      3.500     3.500     0.000 peak  5706 weight  0.10000E+01 volume  0.18280E+01 ppm1      8.796 ppm2      4.013
 ASSI { 5648}
   (( segid "IL13" and resid 37   and name HN  ))
   (( segid "IL13" and resid 36   and name HB1 ))
      3.500     3.500     0.000 peak  5648 weight  0.10000E+01 volume  0.14150E+01 ppm1      8.360 ppm2      4.013
 OR { 5648}
   (( segid "IL13" and resid 37   and name HN  ))
   (( segid "IL13" and resid 36   and name HB2 ))
 ASSI { 5646}
   (( segid "IL13" and resid 37   and name HN  ))
   (( segid "IL13" and resid 37   and name HG12))
      5.000     5.000     0.000 peak  5646 weight  0.10000E+01 volume -0.64200E+00 ppm1      8.358 ppm2      1.096
 ASSI { 5759}
   (( segid "IL13" and resid 39   and name HN  ))
   (( segid "IL13" and resid 38   and name HB1 ))
      5.000     5.000     0.000 peak  5759 weight  0.10000E+01 volume -0.44600E+00 ppm1      8.447 ppm2      2.691
 OR { 5759}
   (( segid "IL13" and resid 39   and name HN  ))
   (( segid "IL13" and resid 38   and name HB2 ))
 ASSI { 5754}
   (( segid "IL13" and resid 39   and name HN  ))
   (( segid "IL13" and resid 39   and name HB2 ))
      3.500     3.500     0.000 peak  5754 weight  0.10000E+01 volume -0.10660E+01 ppm1      8.447 ppm2      1.274
 ASSI { 5757}
   (( segid "IL13" and resid 39   and name HN  ))
   (( segid "IL13" and resid 39   and name HG  ))
      3.500     3.500     0.000 peak  5757 weight  0.10000E+01 volume -0.10560E+01 ppm1      8.447 ppm2      1.451
 ASSI { 5635}
   (( segid "IL13" and resid 40   and name HN  ))
   (( segid "IL13" and resid 40   and name HB  ))
      5.000     5.000     0.000 peak  5635 weight  0.10000E+01 volume  0.85300E+00 ppm1      7.472 ppm2      4.318
 ASSI { 5633}
   (( segid "IL13" and resid 40   and name HN  ))
   (  segid "IL13" and resid 40   and name HG2%)
      5.000     5.000     0.000 peak  5633 weight  0.10000E+01 volume -0.39800E+00 ppm1      7.473 ppm2      1.096
 ASSI { 5728}
   (( segid "IL13" and resid 44   and name HN  ))
   (  segid "IL13" and resid 44   and name HD% )
      3.500     3.500     0.000 peak  5728 weight  0.10000E+01 volume -0.15650E+01 ppm1      7.561 ppm2      6.941
 ASSI { 5654}
   (( segid "IL13" and resid 45   and name HN  ))
   (( segid "IL13" and resid 45   and name HB2 ))
      3.500     3.500     0.000 peak  5654 weight  0.10000E+01 volume -0.13870E+01 ppm1      8.713 ppm2      3.133
 ASSI { 5812}
   (( segid "IL13" and resid 46   and name HN  ))
   (( segid "IL13" and resid 45   and name HB2 ))
      5.000     5.000     0.000 peak  5812 weight  0.10000E+01 volume -0.24200E+00 ppm1      8.270 ppm2      3.133
 OR { 5812}
   (( segid "IL13" and resid 46   and name HN  ))
   (( segid "IL13" and resid 45   and name HB1 ))
 ASSI { 5711}
   (( segid "IL13" and resid 49   and name HN  ))
   (( segid "IL13" and resid 49   and name HB1 ))
      3.500     3.500     0.000 peak  5711 weight  0.10000E+01 volume -0.11070E+01 ppm1      8.536 ppm2      2.248
 ASSI { 6051}
   (( segid "IL13" and resid 49   and name HN  ))
   (  segid "IL13" and resid 75   and name HG1%)
      5.000     5.000     0.000 peak  6051 weight  0.10000E+01 volume -0.15600E+00 ppm1      8.536 ppm2      0.970
 ASSI {   24}
   (( segid "IL13" and resid 49   and name HN  ))
   (  segid "IL13" and resid 75   and name HG2%)
      5.000     5.000     0.000 peak    24 weight  0.10000E+01 volume  0.37000E+00 ppm1      8.534 ppm2      1.013
 ASSI { 5627}
   (( segid "IL13" and resid 50   and name HN  ))
   (( segid "IL13" and resid 47   and name HA  ))
      5.000     5.000     0.000 peak  5627 weight  0.10000E+01 volume  0.50100E+00 ppm1      7.910 ppm2      4.353
 ASSI { 5628}
   (( segid "IL13" and resid 50   and name HN  ))
   (( segid "IL13" and resid 49   and name HB2 ))
      5.000     5.000     0.000 peak  5628 weight  0.10000E+01 volume -0.51000E+00 ppm1      7.916 ppm2      2.248
 OR { 5628}
   (( segid "IL13" and resid 50   and name HN  ))
   (( segid "IL13" and resid 49   and name HB1 ))
 ASSI { 5687}
   (( segid "IL13" and resid 51   and name HN  ))
   (  segid "IL13" and resid 51   and name HD1%)
      5.000     5.000     0.000 peak  5687 weight  0.10000E+01 volume -0.21200E+00 ppm1      8.093 ppm2      0.831
 ASSI { 6046}
   (( segid "IL13" and resid 53   and name HD22))
   (  segid "IL13" and resid 52   and name HG2%)
      5.000     5.000     0.000 peak  6046 weight  0.10000E+01 volume  0.13300E+00 ppm1      7.382 ppm2      0.902
 ASSI { 5897}
   (( segid "IL13" and resid 53   and name HD22))
   (( segid "IL13" and resid 53   and name HB2 ))
      5.000     5.000     0.000 peak  5897 weight  0.10000E+01 volume -0.50900E+00 ppm1      7.384 ppm2      2.691
 ASSI { 5894}
   (( segid "IL13" and resid 54   and name HN  ))
   (( segid "IL13" and resid 54   and name HA  ))
      3.500     3.500     0.000 peak  5894 weight  0.10000E+01 volume  0.10550E+01 ppm1      7.482 ppm2      4.023
 ASSI { 2438}
   (( segid "IL13" and resid 56   and name HN  ))
   (( segid "IL13" and resid 55   and name HB2 ))
      3.500     3.500     0.000 peak  2438 weight  0.10000E+01 volume  0.14520E+01 ppm1      8.891 ppm2      3.830
 OR { 2438}
   (( segid "IL13" and resid 56   and name HN  ))
   (( segid "IL13" and resid 55   and name HB1 ))
 ASSI { 5753}
   (( segid "IL13" and resid 61   and name HN  ))
   (  segid "IL13" and resid 60   and name HG2%)
      5.000     5.000     0.000 peak  5753 weight  0.10000E+01 volume  0.16400E+00 ppm1      7.566 ppm2      0.932
 ASSI { 5750}
   (( segid "IL13" and resid 61   and name HN  ))
   (( segid "IL13" and resid 61   and name HB1 ))
      3.500     3.500     0.000 peak  5750 weight  0.10000E+01 volume -0.29250E+01 ppm1      7.561 ppm2      2.159
 ASSI { 5780}
   (( segid "IL13" and resid 62   and name HN  ))
   (( segid "IL13" and resid 61   and name HB1 ))
      3.500     3.500     0.000 peak  5780 weight  0.10000E+01 volume -0.19590E+01 ppm1      8.801 ppm2      2.159
 ASSI { 5786}
   (( segid "IL13" and resid 62   and name HN  ))
   (( segid "IL13" and resid 62   and name HA  ))
      3.500     3.500     0.000 peak  5786 weight  0.10000E+01 volume  0.16270E+01 ppm1      8.808 ppm2      3.999
 ASSI { 5875}
   (( segid "IL13" and resid 63   and name HN  ))
   (( segid "IL13" and resid 62   and name HB2 ))
      5.000     5.000     0.000 peak  5875 weight  0.10000E+01 volume -0.69700E+00 ppm1      8.713 ppm2      1.894
 OR { 5875}
   (( segid "IL13" and resid 63   and name HN  ))
   (( segid "IL13" and resid 62   and name HB1 ))
 ASSI { 5878}
   (( segid "IL13" and resid 63   and name HN  ))
   (( segid "IL13" and resid 63   and name HB  ))
      3.500     3.500     0.000 peak  5878 weight  0.10000E+01 volume  0.12380E+01 ppm1      8.713 ppm2      4.184
 ASSI { 5877}
   (( segid "IL13" and resid 63   and name HN  ))
   (  segid "IL13" and resid 63   and name HG2%)
      5.000     5.000     0.000 peak  5877 weight  0.10000E+01 volume -0.17500E+00 ppm1      8.713 ppm2      1.008
 ASSI { 6064}
   (( segid "IL13" and resid 66   and name HN  ))
   (( segid "IL13" and resid 63   and name HA  ))
      5.000     5.000     0.000 peak  6064 weight  0.10000E+01 volume  0.41100E+00 ppm1      9.060 ppm2      3.571
 ASSI { 5864}
   (( segid "IL13" and resid 67   and name HN  ))
   (( segid "IL13" and resid 67   and name HB1 ))
      3.500     3.500     0.000 peak  5864 weight  0.10000E+01 volume -0.12740E+01 ppm1      8.891 ppm2      2.159
 ASSI { 5867}
   (( segid "IL13" and resid 67   and name HN  ))
   (( segid "IL13" and resid 67   and name HG  ))
      5.000     5.000     0.000 peak  5867 weight  0.10000E+01 volume -0.10100E+01 ppm1      8.890 ppm2      1.982
 ASSI { 5642}
   (( segid "IL13" and resid 68   and name HN  ))
   (  segid "IL13" and resid 48   and name HD1%)
      5.000     5.000     0.000 peak  5642 weight  0.10000E+01 volume -0.34700E+00 ppm1      8.004 ppm2      1.096
 ASSI { 5643}
   (( segid "IL13" and resid 68   and name HN  ))
   (  segid "IL13" and resid 48   and name HD2%)
      5.000     5.000     0.000 peak  5643 weight  0.10000E+01 volume -0.16200E+00 ppm1      8.004 ppm2      1.096
 ASSI { 5641}
   (( segid "IL13" and resid 68   and name HN  ))
   (( segid "IL13" and resid 65   and name HA  ))
      5.000     5.000     0.000 peak  5641 weight  0.10000E+01 volume  0.83000E+00 ppm1      8.003 ppm2      4.086
 ASSI { 5640}
   (( segid "IL13" and resid 68   and name HN  ))
   (( segid "IL13" and resid 68   and name HA  ))
      3.500     3.500     0.000 peak  5640 weight  0.10000E+01 volume  0.14790E+01 ppm1      8.007 ppm2      4.272
 ASSI { 5622}
   (( segid "IL13" and resid 69   and name HN  ))
   (( segid "IL13" and resid 68   and name HB1 ))
      5.000     5.000     0.000 peak  5622 weight  0.10000E+01 volume  0.57800E+00 ppm1      7.485 ppm2      4.072
 ASSI { 5624}
   (( segid "IL13" and resid 69   and name HN  ))
   (( segid "IL13" and resid 69   and name HA1 ))
      3.500     3.500     0.000 peak  5624 weight  0.10000E+01 volume -0.13210E+01 ppm1      7.473 ppm2      4.019
 ASSI { 5682}
   (( segid "IL13" and resid 70   and name HN  ))
   (( segid "IL13" and resid 70   and name HA  ))
      3.500     3.500     0.000 peak  5682 weight  0.10000E+01 volume  0.12190E+01 ppm1      7.480 ppm2      4.279
 ASSI { 5685}
   (( segid "IL13" and resid 70   and name HN  ))
   (( segid "IL13" and resid 70   and name HB2 ))
      3.500     3.500     0.000 peak  5685 weight  0.10000E+01 volume -0.14590E+01 ppm1      7.473 ppm2      2.602
 ASSI { 5745}
   (( segid "IL13" and resid 71   and name HN  ))
   (  segid "IL13" and resid 48   and name HD2%)
      5.000     5.000     0.000 peak  5745 weight  0.10000E+01 volume -0.13900E+00 ppm1      7.561 ppm2      1.008
 ASSI { 5681}
   (( segid "IL13" and resid 73   and name HN  ))
   (( segid "IL13" and resid 73   and name HA  ))
      3.500     3.500     0.000 peak  5681 weight  0.10000E+01 volume  0.10260E+01 ppm1      7.473 ppm2      4.931
 ASSI { 5683}
   (( segid "IL13" and resid 73   and name HN  ))
   (( segid "IL13" and resid 73   and name HB2 ))
      3.500     3.500     0.000 peak  5683 weight  0.10000E+01 volume -0.10660E+01 ppm1      7.473 ppm2      3.222
 ASSI { 5841}
   (( segid "IL13" and resid 74   and name HN  ))
   (( segid "IL13" and resid 73   and name HA  ))
      3.500     3.500     0.000 peak  5841 weight  0.10000E+01 volume  0.10710E+01 ppm1      8.558 ppm2      4.927
 ASSI { 5770}
   (( segid "IL13" and resid 75   and name HN  ))
   (( segid "IL13" and resid 74   and name HG1 ))
      5.000     5.000     0.000 peak  5770 weight  0.10000E+01 volume -0.46000E+00 ppm1      8.624 ppm2      1.451
 ASSI { 5768}
   (( segid "IL13" and resid 75   and name HN  ))
   (( segid "IL13" and resid 75   and name HB  ))
      3.500     3.500     0.000 peak  5768 weight  0.10000E+01 volume -0.10720E+01 ppm1      8.624 ppm2      1.982
 ASSI { 5619}
   (( segid "IL13" and resid 75   and name HN  ))
   (  segid "IL13" and resid 75   and name HG2%)
      5.000     5.000     0.000 peak  5619 weight  0.10000E+01 volume -0.51300E+00 ppm1      8.623 ppm2      1.008
 ASSI {  337}
   (( segid "IL13" and resid 76   and name HN  ))
   (  segid "IL13" and resid 75   and name HG1%)
      5.000     5.000     0.000 peak   337 weight  0.10000E+01 volume -0.52200E+00 ppm1      8.447 ppm2      0.919
 ASSI {  341}
   (( segid "IL13" and resid 76   and name HN  ))
   (( segid "IL13" and resid 76   and name HB2 ))
      3.500     3.500     0.000 peak   341 weight  0.10000E+01 volume  0.14860E+01 ppm1      8.447 ppm2      3.700
 ASSI { 5598}
   (( segid "IL13" and resid 78   and name HN  ))
   (( segid "IL13" and resid 77   and name HA  ))
      3.500     3.500     0.000 peak  5598 weight  0.10000E+01 volume  0.26440E+01 ppm1      8.715 ppm2      4.103
 ASSI { 5599}
   (( segid "IL13" and resid 78   and name HN  ))
   (  segid "IL13" and resid 77   and name HB% )
      5.000     5.000     0.000 peak  5599 weight  0.10000E+01 volume  0.41600E+00 ppm1      8.713 ppm2      1.390
 ASSI { 5600}
   (( segid "IL13" and resid 78   and name HN  ))
   (( segid "IL13" and resid 78   and name HA2 ))
      3.500     3.500     0.000 peak  5600 weight  0.10000E+01 volume -0.15030E+01 ppm1      8.713 ppm2      3.753
 ASSI { 5818}
   (( segid "IL13" and resid 83   and name HN  ))
   (( segid "IL13" and resid 83   and name HB2 ))
      3.500     3.500     0.000 peak  5818 weight  0.10000E+01 volume -0.11960E+01 ppm1      8.093 ppm2      1.451
 ASSI { 5819}
   (( segid "IL13" and resid 83   and name HN  ))
   (( segid "IL13" and resid 83   and name HG  ))
      5.000     5.000     0.000 peak  5819 weight  0.10000E+01 volume -0.79900E+00 ppm1      8.093 ppm2      1.451
 ASSI { 5811}
   (( segid "IL13" and resid 86   and name HN  ))
   (( segid "IL13" and resid 85   and name HA  ))
      3.500     3.500     0.000 peak  5811 weight  0.10000E+01 volume  0.17220E+01 ppm1      8.351 ppm2      3.909
 ASSI { 5645}
   (( segid "IL13" and resid 88   and name HN  ))
   (( segid "IL13" and resid 87   and name HA  ))
      3.500     3.500     0.000 peak  5645 weight  0.10000E+01 volume  0.13380E+01 ppm1      8.394 ppm2      4.798
 ASSI { 5651}
   (( segid "IL13" and resid 88   and name HN  ))
   (( segid "IL13" and resid 88   and name HA  ))
      5.000     5.000     0.000 peak  5651 weight  0.10000E+01 volume  0.64200E+00 ppm1      8.376 ppm2      4.639
 ASSI { 5620}
   (( segid "IL13" and resid 89   and name HN  ))
   (  segid "IL13" and resid 88   and name HG2%)
      5.000     5.000     0.000 peak  5620 weight  0.10000E+01 volume -0.39200E+00 ppm1      8.536 ppm2      1.274
 ASSI { 5618}
   (( segid "IL13" and resid 89   and name HN  ))
   (( segid "IL13" and resid 89   and name HB1 ))
      3.500     3.500     0.000 peak  5618 weight  0.10000E+01 volume -0.13650E+01 ppm1      8.536 ppm2      1.451
 ASSI { 5621}
   (( segid "IL13" and resid 89   and name HN  ))
   (( segid "IL13" and resid 89   and name HG2 ))
      5.000     5.000     0.000 peak  5621 weight  0.10000E+01 volume -0.51900E+00 ppm1      8.536 ppm2      0.299
 ASSI { 5662}
   (( segid "IL13" and resid 90   and name HN  ))
   (( segid "IL13" and resid 89   and name HA  ))
      3.500     3.500     0.000 peak  5662 weight  0.10000E+01 volume  0.22120E+01 ppm1      9.247 ppm2      4.886
 ASSI { 5660}
   (( segid "IL13" and resid 90   and name HN  ))
   (( segid "IL13" and resid 89   and name HB1 ))
      5.000     5.000     0.000 peak  5660 weight  0.10000E+01 volume -0.51900E+00 ppm1      9.244 ppm2      1.539
 ASSI { 5656}
   (( segid "IL13" and resid 90   and name HN  ))
   (  segid "IL13" and resid 90   and name HD1%)
      5.000     5.000     0.000 peak  5656 weight  0.10000E+01 volume  0.29100E+00 ppm1      9.245 ppm2      0.930
 ASSI { 5777}
   (( segid "IL13" and resid 91   and name HN  ))
   (( segid "IL13" and resid 90   and name HB  ))
      3.500     3.500     0.000 peak  5777 weight  0.10000E+01 volume -0.16350E+01 ppm1      8.890 ppm2      1.894
 ASSI { 5779}
   (( segid "IL13" and resid 91   and name HN  ))
   (  segid "IL13" and resid 90   and name HG2%)
      5.000     5.000     0.000 peak  5779 weight  0.10000E+01 volume  0.23200E+00 ppm1      8.895 ppm2      0.943
 ASSI { 5798}
   (( segid "IL13" and resid 92   and name HN  ))
   (( segid "IL13" and resid 33   and name HA  ))
      5.000     5.000     0.000 peak  5798 weight  0.10000E+01 volume  0.69700E+00 ppm1      8.621 ppm2      5.090
 ASSI { 6065}
   (( segid "IL13" and resid 92   and name HN  ))
   (  segid "IL13" and resid 34   and name HG2%)
      5.000     5.000     0.000 peak  6065 weight  0.10000E+01 volume  0.40000E-01 ppm1      8.626 ppm2      0.217
 ASSI { 5797}
   (( segid "IL13" and resid 92   and name HN  ))
   (( segid "IL13" and resid 91   and name HA  ))
      3.500     3.500     0.000 peak  5797 weight  0.10000E+01 volume  0.23980E+01 ppm1      8.628 ppm2      4.540
 ASSI { 5800}
   (( segid "IL13" and resid 92   and name HN  ))
   (( segid "IL13" and resid 91   and name HB1 ))
      5.000     5.000     0.000 peak  5800 weight  0.10000E+01 volume -0.57700E+00 ppm1      8.624 ppm2      2.336
 ASSI { 5801}
   (( segid "IL13" and resid 92   and name HN  ))
   (( segid "IL13" and resid 91   and name HG2 ))
      5.000     5.000     0.000 peak  5801 weight  0.10000E+01 volume -0.18500E+00 ppm1      8.624 ppm2      2.425
 OR { 5801}
   (( segid "IL13" and resid 92   and name HN  ))
   (( segid "IL13" and resid 91   and name HG1 ))
 ASSI { 5803}
   (( segid "IL13" and resid 92   and name HN  ))
   (  segid "IL13" and resid 92   and name HG1%)
      5.000     5.000     0.000 peak  5803 weight  0.10000E+01 volume -0.24600E+00 ppm1      8.624 ppm2      0.919
 ASSI { 5790}
   (( segid "IL13" and resid 93   and name HN  ))
   (( segid "IL13" and resid 28   and name HB1 ))
      5.000     5.000     0.000 peak  5790 weight  0.10000E+01 volume -0.16600E+00 ppm1      9.421 ppm2      1.539
 OR { 5790}
   (( segid "IL13" and resid 93   and name HN  ))
   (( segid "IL13" and resid 28   and name HB2 ))
 ASSI { 5792}
   (( segid "IL13" and resid 93   and name HN  ))
   (( segid "IL13" and resid 91   and name HG2 ))
      5.000     5.000     0.000 peak  5792 weight  0.10000E+01 volume -0.48400E+00 ppm1      9.421 ppm2      2.425
 OR { 5792}
   (( segid "IL13" and resid 93   and name HN  ))
   (( segid "IL13" and resid 91   and name HG1 ))
 ASSI { 5791}
   (( segid "IL13" and resid 93   and name HN  ))
   (  segid "IL13" and resid 92   and name HG1%)
      5.000     5.000     0.000 peak  5791 weight  0.10000E+01 volume -0.21600E+00 ppm1      9.421 ppm2      0.831
 ASSI { 5597}
   (( segid "IL13" and resid 94   and name HN  ))
   (( segid "IL13" and resid 91   and name HG1 ))
      5.000     5.000     0.000 peak  5597 weight  0.10000E+01 volume -0.41500E+00 ppm1      7.030 ppm2      2.425
 OR { 5597}
   (( segid "IL13" and resid 94   and name HN  ))
   (( segid "IL13" and resid 91   and name HG2 ))
 ASSI {  380}
   (( segid "IL13" and resid 95   and name HN  ))
   (  segid "IL13" and resid 34   and name HG2%)
      5.000     5.000     0.000 peak   380 weight  0.10000E+01 volume  0.11700E+00 ppm1      8.262 ppm2      0.227
 ASSI {  261}
   (( segid "IL13" and resid 95   and name HN  ))
   (( segid "IL13" and resid 95   and name HA  ))
      5.000     5.000     0.000 peak   261 weight  0.10000E+01 volume  0.84300E+00 ppm1      8.259 ppm2      4.032
 ASSI { 5669}
   (( segid "IL13" and resid 96   and name HN  ))
   (( segid "IL13" and resid 93   and name HA  ))
      5.000     5.000     0.000 peak  5669 weight  0.10000E+01 volume  0.60700E+00 ppm1      8.891 ppm2      3.984
 ASSI { 5667}
   (( segid "IL13" and resid 96   and name HN  ))
   (( segid "IL13" and resid 96   and name HA  ))
      3.500     3.500     0.000 peak  5667 weight  0.10000E+01 volume  0.11930E+01 ppm1      8.894 ppm2      3.647
 ASSI { 5665}
   (( segid "IL13" and resid 96   and name HN  ))
   (( segid "IL13" and resid 96   and name HB  ))
      3.500     3.500     0.000 peak  5665 weight  0.10000E+01 volume -0.14880E+01 ppm1      8.890 ppm2      2.159
 ASSI { 5884}
   (( segid "IL13" and resid 97   and name HN  ))
   (( segid "IL13" and resid 94   and name HA  ))
      5.000     5.000     0.000 peak  5884 weight  0.10000E+01 volume  0.72500E+00 ppm1      7.731 ppm2      4.019
 ASSI { 5887}
   (( segid "IL13" and resid 97   and name HN  ))
   (  segid "IL13" and resid 96   and name HG2%)
      5.000     5.000     0.000 peak  5887 weight  0.10000E+01 volume -0.29700E+00 ppm1      7.738 ppm2      1.096
 ASSI { 5873}
   (( segid "IL13" and resid 99   and name HN  ))
   (( segid "IL13" and resid 99   and name HA  ))
      3.500     3.500     0.000 peak  5873 weight  0.10000E+01 volume  0.10740E+01 ppm1      8.182 ppm2      3.919
 ASSI { 5870}
   (( segid "IL13" and resid 99   and name HN  ))
   (( segid "IL13" and resid 99   and name HB2 ))
      3.500     3.500     0.000 peak  5870 weight  0.10000E+01 volume -0.11460E+01 ppm1      8.181 ppm2      1.185
 ASSI { 5736}
   (( segid "IL13" and resid 101  and name HN  ))
   (( segid "IL13" and resid 101  and name HA  ))
      3.500     3.500     0.000 peak  5736 weight  0.10000E+01 volume  0.11740E+01 ppm1      7.852 ppm2      3.942
 ASSI { 5731}
   (( segid "IL13" and resid 101  and name HN  ))
   (( segid "IL13" and resid 101  and name HB1 ))
      3.500     3.500     0.000 peak  5731 weight  0.10000E+01 volume -0.15490E+01 ppm1      7.827 ppm2      1.894
 ASSI { 5727}
   (( segid "IL13" and resid 101  and name HN  ))
   (( segid "IL13" and resid 101  and name HG  ))
      5.000     5.000     0.000 peak  5727 weight  0.10000E+01 volume -0.93800E+00 ppm1      7.827 ppm2      1.805
 ASSI { 5723}
   (( segid "IL13" and resid 103  and name HN  ))
   (( segid "IL13" and resid 103  and name HA  ))
      3.500     3.500     0.000 peak  5723 weight  0.10000E+01 volume  0.11380E+01 ppm1      8.895 ppm2      3.957
 ASSI { 5719}
   (( segid "IL13" and resid 103  and name HN  ))
   (  segid "IL13" and resid 103  and name HD2%)
      5.000     5.000     0.000 peak  5719 weight  0.10000E+01 volume -0.28800E+00 ppm1      8.890 ppm2      0.831
 ASSI { 5721}
   (( segid "IL13" and resid 103  and name HN  ))
   (( segid "IL13" and resid 103  and name HG  ))
      3.500     3.500     0.000 peak  5721 weight  0.10000E+01 volume -0.13870E+01 ppm1      8.890 ppm2      2.071
 ASSI { 6048}
   (( segid "IL13" and resid 104  and name HN  ))
   (  segid "IL13" and resid 100  and name HD1%)
      5.000     5.000     0.000 peak  6048 weight  0.10000E+01 volume -0.11100E+00 ppm1      8.624 ppm2      1.008
 ASSI { 5876}
   (( segid "IL13" and resid 107  and name HN  ))
   (( segid "IL13" and resid 107  and name HA  ))
      5.000     5.000     0.000 peak  5876 weight  0.10000E+01 volume  0.82600E+00 ppm1      8.703 ppm2      4.085
 ASSI { 6059}
   (( segid "IL13" and resid 108  and name HN  ))
   (( segid "IL13" and resid 107  and name HB1 ))
      3.500     3.500     0.000 peak  6059 weight  0.10000E+01 volume -0.13010E+01 ppm1      8.093 ppm2      3.133
 OR { 6059}
   (( segid "IL13" and resid 108  and name HN  ))
   (( segid "IL13" and resid 107  and name HB2 ))
 ASSI { 5625}
   (( segid "IL13" and resid 110  and name HN  ))
   (( segid "IL13" and resid 110  and name HA2 ))
      3.500     3.500     0.000 peak  5625 weight  0.10000E+01 volume -0.12630E+01 ppm1      7.767 ppm2      3.397
 ASSI { 5834}
   (( segid "IL13" and resid 113  and name HN  ))
   (( segid "IL13" and resid 112  and name HA  ))
      3.500     3.500     0.000 peak  5834 weight  0.10000E+01 volume  0.11780E+01 ppm1      7.921 ppm2      4.763
 ASSI { 5826}
   (( segid "IL13" and resid 113  and name HN  ))
   (( segid "IL13" and resid 113  and name HB2 ))
      3.500     3.500     0.000 peak  5826 weight  0.10000E+01 volume -0.12650E+01 ppm1      7.916 ppm2      2.868
 OR { 5826}
   (( segid "IL13" and resid 113  and name HN  ))
   (( segid "IL13" and resid 113  and name HB1 ))
 ASSI { 1995}
   (( segid "IL13" and resid 4    and name HN  ))
   (( segid "IL13" and resid 3    and name HB1 ))
      5.000     5.000     0.000 peak  1995 weight  0.10000E+01 volume  0.57300E+00 ppm1      8.300 ppm2      2.268
 ASSI { 1824}
   (( segid "IL13" and resid 4    and name HN  ))
   (( segid "IL13" and resid 3    and name HB2 ))
      3.500     3.500     0.000 peak  1824 weight  0.10000E+01 volume  0.77000E+00 ppm1      8.299 ppm2      1.908
 ASSI { 2026}
   (( segid "IL13" and resid 4    and name HN  ))
   (( segid "IL13" and resid 3    and name HD2 ))
      5.000     5.000     0.000 peak  2026 weight  0.10000E+01 volume  0.55000E+00 ppm1      8.299 ppm2      3.652
 OR { 2026}
   (( segid "IL13" and resid 4    and name HN  ))
   (( segid "IL13" and resid 3    and name HD1 ))
 ASSI { 1197}
   (( segid "IL13" and resid 4    and name HN  ))
   (( segid "IL13" and resid 4    and name HA  ))
      2.700     2.700     0.000 peak  1197 weight  0.10000E+01 volume  0.68880E+01 ppm1      8.299 ppm2      4.489
 ASSI { 1237}
   (( segid "IL13" and resid 4    and name HN  ))
   (  segid "IL13" and resid 4    and name HG2%)
      3.500     3.500     0.000 peak  1237 weight  0.10000E+01 volume  0.12630E+01 ppm1      8.299 ppm2      0.975
 ASSI { 1761}
   (( segid "IL13" and resid 7    and name HN  ))
   (( segid "IL13" and resid 6    and name HA  ))
      3.500     3.500     0.000 peak  1761 weight  0.10000E+01 volume  0.84300E+00 ppm1      8.158 ppm2      4.433
 ASSI { 2866}
   (( segid "IL13" and resid 7    and name HN  ))
   (( segid "IL13" and resid 6    and name HB1 ))
      5.000     5.000     0.000 peak  2866 weight  0.10000E+01 volume  0.23100E+00 ppm1      8.157 ppm2      2.336
 ASSI { 2219}
   (( segid "IL13" and resid 7    and name HN  ))
   (( segid "IL13" and resid 6    and name HB2 ))
      5.000     5.000     0.000 peak  2219 weight  0.10000E+01 volume  0.41900E+00 ppm1      8.160 ppm2      1.935
 ASSI { 3071}
   (( segid "IL13" and resid 7    and name HN  ))
   (( segid "IL13" and resid 6    and name HG1 ))
      5.000     5.000     0.000 peak  3071 weight  0.10000E+01 volume  0.20600E+00 ppm1      8.160 ppm2      2.061
 OR { 3071}
   (( segid "IL13" and resid 7    and name HN  ))
   (( segid "IL13" and resid 6    and name HG2 ))
 ASSI { 2332}
   (( segid "IL13" and resid 7    and name HN  ))
   (( segid "IL13" and resid 7    and name HB1 ))
      5.000     5.000     0.000 peak  2332 weight  0.10000E+01 volume  0.36200E+00 ppm1      8.161 ppm2      3.810
 ASSI { 1999}
   (( segid "IL13" and resid 7    and name HN  ))
   (( segid "IL13" and resid 7    and name HB2 ))
      5.000     5.000     0.000 peak  1999 weight  0.10000E+01 volume  0.57000E+00 ppm1      8.159 ppm2      3.312
 ASSI { 2481}
   (( segid "IL13" and resid 8    and name HN  ))
   (( segid "IL13" and resid 7    and name HB1 ))
      5.000     5.000     0.000 peak  2481 weight  0.10000E+01 volume  0.31900E+00 ppm1      7.757 ppm2      3.819
 ASSI { 2936}
   (( segid "IL13" and resid 8    and name HN  ))
   (( segid "IL13" and resid 7    and name HB2 ))
      5.000     5.000     0.000 peak  2936 weight  0.10000E+01 volume  0.22200E+00 ppm1      7.753 ppm2      3.315
 ASSI { 1107}
   (( segid "IL13" and resid 8    and name HN  ))
   (( segid "IL13" and resid 7    and name HN  ))
      3.500     3.500     0.000 peak  1107 weight  0.10000E+01 volume  0.12710E+01 ppm1      7.751 ppm2      8.151
 ASSI { 1449}
   (( segid "IL13" and resid 8    and name HN  ))
   (( segid "IL13" and resid 8    and name HA  ))
      3.500     3.500     0.000 peak  1449 weight  0.10000E+01 volume  0.15350E+01 ppm1      7.754 ppm2      3.985
 ASSI { 1467}
   (( segid "IL13" and resid 8    and name HN  ))
   (( segid "IL13" and resid 8    and name HB  ))
      3.500     3.500     0.000 peak  1467 weight  0.10000E+01 volume  0.14700E+01 ppm1      7.754 ppm2      4.220
 ASSI { 1963}
   (( segid "IL13" and resid 8    and name HN  ))
   (  segid "IL13" and resid 8    and name HG2%)
      5.000     5.000     0.000 peak  1963 weight  0.10000E+01 volume  0.20300E+00 ppm1      7.751 ppm2      1.223
 ASSI { 2526}
   (( segid "IL13" and resid 8    and name HN  ))
   (  segid "IL13" and resid 9    and name HB% )
      5.000     5.000     0.000 peak  2526 weight  0.10000E+01 volume  0.10200E+00 ppm1      7.753 ppm2      1.367
 ASSI { 1701}
   (( segid "IL13" and resid 8    and name HN  ))
   (( segid "IL13" and resid 9    and name HN  ))
      3.500     3.500     0.000 peak  1701 weight  0.10000E+01 volume  0.93700E+00 ppm1      7.754 ppm2      8.053
 ASSI { 2791}
   (( segid "IL13" and resid 9    and name HN  ))
   (( segid "IL13" and resid 6    and name HA  ))
      5.000     5.000     0.000 peak  2791 weight  0.10000E+01 volume  0.24500E+00 ppm1      8.055 ppm2      4.416
 ASSI { 1837}
   (( segid "IL13" and resid 9    and name HN  ))
   (( segid "IL13" and resid 8    and name HA  ))
      3.500     3.500     0.000 peak  1837 weight  0.10000E+01 volume  0.75200E+00 ppm1      8.057 ppm2      3.994
 ASSI { 1971}
   (( segid "IL13" and resid 9    and name HN  ))
   (  segid "IL13" and resid 8    and name HG2%)
      5.000     5.000     0.000 peak  1971 weight  0.10000E+01 volume  0.20000E+00 ppm1      8.055 ppm2      1.217
 ASSI { 1275}
   (( segid "IL13" and resid 9    and name HN  ))
   (( segid "IL13" and resid 9    and name HA  ))
      3.500     3.500     0.000 peak  1275 weight  0.10000E+01 volume  0.28100E+01 ppm1      8.055 ppm2      4.214
 ASSI { 1261}
   (( segid "IL13" and resid 9    and name HN  ))
   (  segid "IL13" and resid 9    and name HB% )
      3.500     3.500     0.000 peak  1261 weight  0.10000E+01 volume  0.10530E+01 ppm1      8.055 ppm2      1.362
 ASSI { 1714}
   (( segid "IL13" and resid 9    and name HN  ))
   (( segid "IL13" and resid 10   and name HN  ))
      3.500     3.500     0.000 peak  1714 weight  0.10000E+01 volume  0.91600E+00 ppm1      8.057 ppm2      8.627
 ASSI { 2122}
   (( segid "IL13" and resid 9    and name HN  ))
   (( segid "IL13" and resid 11   and name HN  ))
      5.000     5.000     0.000 peak  2122 weight  0.10000E+01 volume  0.47800E+00 ppm1      8.057 ppm2      8.215
 ASSI { 1944}
   (( segid "IL13" and resid 10   and name HN  ))
   (( segid "IL13" and resid 9    and name HA  ))
      5.000     5.000     0.000 peak  1944 weight  0.10000E+01 volume  0.62900E+00 ppm1      8.632 ppm2      4.209
 ASSI { 1773}
   (( segid "IL13" and resid 10   and name HN  ))
   (( segid "IL13" and resid 10   and name HA  ))
      3.500     3.500     0.000 peak  1773 weight  0.10000E+01 volume  0.82800E+00 ppm1      8.626 ppm2      4.416
 ASSI { 1526}
   (( segid "IL13" and resid 10   and name HN  ))
   (( segid "IL13" and resid 10   and name HB1 ))
      3.500     3.500     0.000 peak  1526 weight  0.10000E+01 volume  0.13000E+01 ppm1      8.622 ppm2      2.040
 ASSI { 1548}
   (( segid "IL13" and resid 10   and name HN  ))
   (( segid "IL13" and resid 10   and name HB2 ))
      3.500     3.500     0.000 peak  1548 weight  0.10000E+01 volume  0.12500E+01 ppm1      8.620 ppm2      1.876
 ASSI { 1905}
   (( segid "IL13" and resid 10   and name HN  ))
   (  segid "IL13" and resid 10   and name HD1%)
      5.000     5.000     0.000 peak  1905 weight  0.10000E+01 volume  0.22800E+00 ppm1      8.622 ppm2      1.153
 ASSI { 1736}
   (( segid "IL13" and resid 10   and name HN  ))
   (( segid "IL13" and resid 11   and name HN  ))
      3.500     3.500     0.000 peak  1736 weight  0.10000E+01 volume  0.88100E+00 ppm1      8.627 ppm2      8.248
 ASSI { 2157}
   (( segid "IL13" and resid 11   and name HN  ))
   (( segid "IL13" and resid 10   and name HA  ))
      5.000     5.000     0.000 peak  2157 weight  0.10000E+01 volume  0.45300E+00 ppm1      8.240 ppm2      4.417
 ASSI { 1251}
   (( segid "IL13" and resid 11   and name HN  ))
   (( segid "IL13" and resid 11   and name HB1 ))
      2.700     2.700     0.000 peak  1251 weight  0.10000E+01 volume  0.34490E+01 ppm1      8.240 ppm2      2.008
 ASSI { 2538}
   (( segid "IL13" and resid 11   and name HN  ))
   (( segid "IL13" and resid 11   and name HD1 ))
      5.000     5.000     0.000 peak  2538 weight  0.10000E+01 volume  0.30100E+00 ppm1      8.240 ppm2      3.196
 OR { 2538}
   (( segid "IL13" and resid 11   and name HN  ))
   (( segid "IL13" and resid 11   and name HD2 ))
 ASSI { 1748}
   (( segid "IL13" and resid 11   and name HN  ))
   (( segid "IL13" and resid 11   and name HG2 ))
      3.500     3.500     0.000 peak  1748 weight  0.10000E+01 volume  0.87000E+00 ppm1      8.240 ppm2      1.524
 OR { 1748}
   (( segid "IL13" and resid 11   and name HN  ))
   (( segid "IL13" and resid 11   and name HG1 ))
 ASSI { 2113}
   (( segid "IL13" and resid 12   and name HN  ))
   (( segid "IL13" and resid 9    and name HA  ))
      5.000     5.000     0.000 peak  2113 weight  0.10000E+01 volume  0.48400E+00 ppm1      8.368 ppm2      4.203
 ASSI { 3261}
   (( segid "IL13" and resid 12   and name HN  ))
   (( segid "IL13" and resid 10   and name HN  ))
      5.000     5.000     0.000 peak  3261 weight  0.10000E+01 volume  0.18800E+00 ppm1      8.370 ppm2      8.635
 ASSI { 2449}
   (( segid "IL13" and resid 12   and name HN  ))
   (( segid "IL13" and resid 11   and name HA  ))
      5.000     5.000     0.000 peak  2449 weight  0.10000E+01 volume  0.32800E+00 ppm1      8.363 ppm2      3.564
 ASSI { 1407}
   (( segid "IL13" and resid 12   and name HN  ))
   (( segid "IL13" and resid 12   and name HB1 ))
      3.500     3.500     0.000 peak  1407 weight  0.10000E+01 volume  0.17200E+01 ppm1      8.366 ppm2      2.134
 ASSI { 1324}
   (( segid "IL13" and resid 12   and name HN  ))
   (( segid "IL13" and resid 12   and name HB2 ))
      3.500     3.500     0.000 peak  1324 weight  0.10000E+01 volume  0.22780E+01 ppm1      8.366 ppm2      2.020
 ASSI { 1540}
   (( segid "IL13" and resid 12   and name HN  ))
   (( segid "IL13" and resid 12   and name HG1 ))
      3.500     3.500     0.000 peak  1540 weight  0.10000E+01 volume  0.12660E+01 ppm1      8.368 ppm2      2.583
 ASSI { 1637}
   (( segid "IL13" and resid 12   and name HN  ))
   (( segid "IL13" and resid 13   and name HN  ))
      3.500     3.500     0.000 peak  1637 weight  0.10000E+01 volume  0.10510E+01 ppm1      8.368 ppm2      7.893
 ASSI { 1889}
   (( segid "IL13" and resid 13   and name HN  ))
   (( segid "IL13" and resid 10   and name HA  ))
      3.500     3.500     0.000 peak  1889 weight  0.10000E+01 volume  0.69600E+00 ppm1      7.898 ppm2      4.413
 ASSI { 1744}
   (( segid "IL13" and resid 13   and name HN  ))
   (  segid "IL13" and resid 13   and name HD1%)
      5.000     5.000     0.000 peak  1744 weight  0.10000E+01 volume  0.29100E+00 ppm1      7.899 ppm2      1.080
 ASSI { 1650}
   (( segid "IL13" and resid 13   and name HN  ))
   (  segid "IL13" and resid 13   and name HD2%)
      5.000     5.000     0.000 peak  1650 weight  0.10000E+01 volume  0.34500E+00 ppm1      7.899 ppm2      0.787
 ASSI { 1718}
   (( segid "IL13" and resid 13   and name HN  ))
   (( segid "IL13" and resid 13   and name HG  ))
      3.500     3.500     0.000 peak  1718 weight  0.10000E+01 volume  0.91000E+00 ppm1      7.904 ppm2      1.521
 ASSI { 1563}
   (( segid "IL13" and resid 14   and name HN  ))
   (( segid "IL13" and resid 13   and name HB1 ))
      3.500     3.500     0.000 peak  1563 weight  0.10000E+01 volume  0.12110E+01 ppm1      8.433 ppm2      2.230
 ASSI { 1565}
   (( segid "IL13" and resid 14   and name HN  ))
   (( segid "IL13" and resid 13   and name HN  ))
      3.500     3.500     0.000 peak  1565 weight  0.10000E+01 volume  0.12070E+01 ppm1      8.435 ppm2      7.893
 ASSI { 1363}
   (( segid "IL13" and resid 14   and name HN  ))
   (  segid "IL13" and resid 14   and name HG2%)
      3.500     3.500     0.000 peak  1363 weight  0.10000E+01 volume  0.68400E+00 ppm1      8.433 ppm2      0.736
 ASSI { 1442}
   (( segid "IL13" and resid 14   and name HN  ))
   (( segid "IL13" and resid 15   and name HN  ))
      3.500     3.500     0.000 peak  1442 weight  0.10000E+01 volume  0.15620E+01 ppm1      8.430 ppm2      8.263
 ASSI { 2345}
   (( segid "IL13" and resid 15   and name HN  ))
   (( segid "IL13" and resid 11   and name HA  ))
      5.000     5.000     0.000 peak  2345 weight  0.10000E+01 volume  0.35900E+00 ppm1      8.265 ppm2      3.569
 ASSI { 1948}
   (( segid "IL13" and resid 15   and name HN  ))
   (( segid "IL13" and resid 12   and name HA  ))
      5.000     5.000     0.000 peak  1948 weight  0.10000E+01 volume  0.62800E+00 ppm1      8.264 ppm2      3.958
 ASSI { 2253}
   (( segid "IL13" and resid 15   and name HN  ))
   (( segid "IL13" and resid 14   and name HA  ))
      5.000     5.000     0.000 peak  2253 weight  0.10000E+01 volume  0.40100E+00 ppm1      8.261 ppm2      3.363
 ASSI { 2608}
   (( segid "IL13" and resid 15   and name HN  ))
   (  segid "IL13" and resid 14   and name HD1%)
      5.000     5.000     0.000 peak  2608 weight  0.10000E+01 volume  0.95000E-01 ppm1      8.264 ppm2      0.622
 ASSI { 1256}
   (( segid "IL13" and resid 15   and name HN  ))
   (( segid "IL13" and resid 15   and name HB2 ))
      2.700     2.700     0.000 peak  1256 weight  0.10000E+01 volume  0.33370E+01 ppm1      8.265 ppm2      2.066
 ASSI { 1677}
   (( segid "IL13" and resid 15   and name HN  ))
   (( segid "IL13" and resid 16   and name HN  ))
      3.500     3.500     0.000 peak  1677 weight  0.10000E+01 volume  0.97300E+00 ppm1      8.263 ppm2      7.841
 ASSI { 1260}
   (( segid "IL13" and resid 16   and name HN  ))
   (( segid "IL13" and resid 16   and name HB1 ))
      2.700     2.700     0.000 peak  1260 weight  0.10000E+01 volume  0.32240E+01 ppm1      7.832 ppm2      2.100
 ASSI { 1361}
   (( segid "IL13" and resid 16   and name HN  ))
   (( segid "IL13" and resid 17   and name HN  ))
      3.500     3.500     0.000 peak  1361 weight  0.10000E+01 volume  0.20620E+01 ppm1      7.832 ppm2      8.290
 ASSI { 2951}
   (( segid "IL13" and resid 16   and name HN  ))
   (( segid "IL13" and resid 18   and name HN  ))
      5.000     5.000     0.000 peak  2951 weight  0.10000E+01 volume  0.22000E+00 ppm1      7.829 ppm2      8.765
 ASSI { 3099}
   (( segid "IL13" and resid 16   and name HN  ))
   (( segid "IL13" and resid 19   and name HN  ))
      5.000     5.000     0.000 peak  3099 weight  0.10000E+01 volume  0.20300E+00 ppm1      7.827 ppm2      8.087
 ASSI { 2271}
   (( segid "IL13" and resid 17   and name HN  ))
   (( segid "IL13" and resid 16   and name HA  ))
      5.000     5.000     0.000 peak  2271 weight  0.10000E+01 volume  0.38900E+00 ppm1      8.307 ppm2      4.651
 ASSI { 1823}
   (( segid "IL13" and resid 17   and name HN  ))
   (( segid "IL13" and resid 17   and name HA  ))
      3.500     3.500     0.000 peak  1823 weight  0.10000E+01 volume  0.77000E+00 ppm1      8.308 ppm2      4.112
 ASSI { 1809}
   (( segid "IL13" and resid 17   and name HN  ))
   (( segid "IL13" and resid 17   and name HB2 ))
      3.500     3.500     0.000 peak  1809 weight  0.10000E+01 volume  0.79100E+00 ppm1      8.308 ppm2      1.258
 ASSI { 1696}
   (( segid "IL13" and resid 17   and name HN  ))
   (  segid "IL13" and resid 17   and name HD1%)
      5.000     5.000     0.000 peak  1696 weight  0.10000E+01 volume  0.31500E+00 ppm1      8.309 ppm2      0.807
 ASSI { 1557}
   (( segid "IL13" and resid 17   and name HN  ))
   (  segid "IL13" and resid 17   and name HD2%)
      5.000     5.000     0.000 peak  1557 weight  0.10000E+01 volume  0.40700E+00 ppm1      8.308 ppm2      0.981
 ASSI { 2078}
   (( segid "IL13" and resid 17   and name HN  ))
   (( segid "IL13" and resid 18   and name HA  ))
      5.000     5.000     0.000 peak  2078 weight  0.10000E+01 volume  0.50400E+00 ppm1      8.309 ppm2      3.365
 ASSI { 1686}
   (( segid "IL13" and resid 17   and name HN  ))
   (( segid "IL13" and resid 18   and name HN  ))
      3.500     3.500     0.000 peak  1686 weight  0.10000E+01 volume  0.96000E+00 ppm1      8.308 ppm2      8.770
 ASSI { 2561}
   (( segid "IL13" and resid 18   and name HN  ))
   (( segid "IL13" and resid 17   and name HA  ))
      5.000     5.000     0.000 peak  2561 weight  0.10000E+01 volume  0.29500E+00 ppm1      8.774 ppm2      4.118
 ASSI { 1972}
   (( segid "IL13" and resid 18   and name HN  ))
   (( segid "IL13" and resid 17   and name HB2 ))
      5.000     5.000     0.000 peak  1972 weight  0.10000E+01 volume  0.59900E+00 ppm1      8.772 ppm2      1.263
 ASSI { 1249}
   (( segid "IL13" and resid 18   and name HN  ))
   (( segid "IL13" and resid 18   and name HB  ))
      2.700     2.700     0.000 peak  1249 weight  0.10000E+01 volume  0.35090E+01 ppm1      8.771 ppm2      2.205
 ASSI { 1258}
   (( segid "IL13" and resid 18   and name HN  ))
   (  segid "IL13" and resid 18   and name HG1%)
      3.500     3.500     0.000 peak  1258 weight  0.10000E+01 volume  0.10810E+01 ppm1      8.771 ppm2      1.048
 ASSI { 1507}
   (( segid "IL13" and resid 18   and name HN  ))
   (( segid "IL13" and resid 19   and name HN  ))
      3.500     3.500     0.000 peak  1507 weight  0.10000E+01 volume  0.13320E+01 ppm1      8.771 ppm2      8.053
 ASSI { 2255}
   (( segid "IL13" and resid 19   and name HN  ))
   (( segid "IL13" and resid 15   and name HA  ))
      5.000     5.000     0.000 peak  2255 weight  0.10000E+01 volume  0.39900E+00 ppm1      8.057 ppm2      3.845
 ASSI { 1947}
   (( segid "IL13" and resid 19   and name HN  ))
   (( segid "IL13" and resid 16   and name HA  ))
      5.000     5.000     0.000 peak  1947 weight  0.10000E+01 volume  0.62900E+00 ppm1      8.053 ppm2      4.673
 ASSI { 1661}
   (( segid "IL13" and resid 19   and name HN  ))
   (  segid "IL13" and resid 18   and name HG1%)
      5.000     5.000     0.000 peak  1661 weight  0.10000E+01 volume  0.33400E+00 ppm1      8.055 ppm2      1.051
 ASSI { 1372}
   (( segid "IL13" and resid 19   and name HN  ))
   (( segid "IL13" and resid 19   and name HA  ))
      3.500     3.500     0.000 peak  1372 weight  0.10000E+01 volume  0.19940E+01 ppm1      8.054 ppm2      4.459
 ASSI { 1232}
   (( segid "IL13" and resid 19   and name HN  ))
   (( segid "IL13" and resid 19   and name HB2 ))
      2.700     2.700     0.000 peak  1232 weight  0.10000E+01 volume  0.39670E+01 ppm1      8.055 ppm2      3.102
 OR { 1232}
   (( segid "IL13" and resid 19   and name HN  ))
   (( segid "IL13" and resid 19   and name HB1 ))
 ASSI { 1516}
   (( segid "IL13" and resid 19   and name HN  ))
   (( segid "IL13" and resid 20   and name HN  ))
      3.500     3.500     0.000 peak  1516 weight  0.10000E+01 volume  0.13160E+01 ppm1      8.058 ppm2      8.207
 ASSI { 2133}
   (( segid "IL13" and resid 19   and name HN  ))
   (( segid "IL13" and resid 21   and name HN  ))
      5.000     5.000     0.000 peak  2133 weight  0.10000E+01 volume  0.46900E+00 ppm1      8.057 ppm2      7.561
 ASSI { 1743}
   (( segid "IL13" and resid 19   and name HD22))
   (( segid "IL13" and resid 19   and name HB1 ))
      3.500     3.500     0.000 peak  1743 weight  0.10000E+01 volume  0.87400E+00 ppm1      6.956 ppm2      3.103
 OR { 1743}
   (( segid "IL13" and resid 19   and name HD22))
   (( segid "IL13" and resid 19   and name HB2 ))
 ASSI { 2974}
   (( segid "IL13" and resid 20   and name HN  ))
   (( segid "IL13" and resid 16   and name HA  ))
      5.000     5.000     0.000 peak  2974 weight  0.10000E+01 volume  0.21800E+00 ppm1      8.200 ppm2      4.659
 ASSI { 1912}
   (( segid "IL13" and resid 20   and name HN  ))
   (( segid "IL13" and resid 17   and name HA  ))
      3.500     3.500     0.000 peak  1912 weight  0.10000E+01 volume  0.67200E+00 ppm1      8.200 ppm2      4.114
 ASSI { 2955}
   (( segid "IL13" and resid 20   and name HN  ))
   (( segid "IL13" and resid 18   and name HN  ))
      5.000     5.000     0.000 peak  2955 weight  0.10000E+01 volume  0.22000E+00 ppm1      8.202 ppm2      8.778
 ASSI { 1985}
   (( segid "IL13" and resid 20   and name HN  ))
   (( segid "IL13" and resid 19   and name HA  ))
      5.000     5.000     0.000 peak  1985 weight  0.10000E+01 volume  0.58400E+00 ppm1      8.203 ppm2      4.456
 ASSI { 1623}
   (( segid "IL13" and resid 20   and name HN  ))
   (( segid "IL13" and resid 20   and name HB  ))
      3.500     3.500     0.000 peak  1623 weight  0.10000E+01 volume  0.10740E+01 ppm1      8.199 ppm2      2.189
 ASSI { 1572}
   (( segid "IL13" and resid 20   and name HN  ))
   (  segid "IL13" and resid 20   and name HD1%)
      5.000     5.000     0.000 peak  1572 weight  0.10000E+01 volume  0.39500E+00 ppm1      8.201 ppm2      0.982
 ASSI { 1439}
   (( segid "IL13" and resid 20   and name HN  ))
   (( segid "IL13" and resid 20   and name HG11))
      3.500     3.500     0.000 peak  1439 weight  0.10000E+01 volume  0.15690E+01 ppm1      8.201 ppm2      1.762
 ASSI { 1558}
   (( segid "IL13" and resid 20   and name HN  ))
   (( segid "IL13" and resid 20   and name HG12))
      3.500     3.500     0.000 peak  1558 weight  0.10000E+01 volume  0.12190E+01 ppm1      8.200 ppm2      1.479
 ASSI { 1373}
   (( segid "IL13" and resid 20   and name HN  ))
   (  segid "IL13" and resid 20   and name HG2%)
      3.500     3.500     0.000 peak  1373 weight  0.10000E+01 volume  0.66100E+00 ppm1      8.201 ppm2      1.149
 ASSI { 1522}
   (( segid "IL13" and resid 20   and name HN  ))
   (( segid "IL13" and resid 21   and name HN  ))
      3.500     3.500     0.000 peak  1522 weight  0.10000E+01 volume  0.13040E+01 ppm1      8.201 ppm2      7.569
 ASSI { 2218}
   (( segid "IL13" and resid 21   and name HN  ))
   (  segid "IL13" and resid 20   and name HD1%)
      5.000     5.000     0.000 peak  2218 weight  0.10000E+01 volume  0.14000E+00 ppm1      7.573 ppm2      0.993
 ASSI { 2112}
   (( segid "IL13" and resid 21   and name HN  ))
   (( segid "IL13" and resid 20   and name HG11))
      5.000     5.000     0.000 peak  2112 weight  0.10000E+01 volume  0.48500E+00 ppm1      7.573 ppm2      1.757
 ASSI { 2213}
   (( segid "IL13" and resid 21   and name HN  ))
   (( segid "IL13" and resid 20   and name HG12))
      5.000     5.000     0.000 peak  2213 weight  0.10000E+01 volume  0.42500E+00 ppm1      7.578 ppm2      1.490
 ASSI { 2109}
   (( segid "IL13" and resid 21   and name HN  ))
   (  segid "IL13" and resid 20   and name HG2%)
      5.000     5.000     0.000 peak  2109 weight  0.10000E+01 volume  0.54000E-01 ppm1      7.578 ppm2      1.152
 ASSI { 1502}
   (( segid "IL13" and resid 21   and name HN  ))
   (( segid "IL13" and resid 21   and name HA  ))
      3.500     3.500     0.000 peak  1502 weight  0.10000E+01 volume  0.13420E+01 ppm1      7.577 ppm2      4.475
 ASSI { 1603}
   (( segid "IL13" and resid 21   and name HN  ))
   (( segid "IL13" and resid 21   and name HB  ))
      3.500     3.500     0.000 peak  1603 weight  0.10000E+01 volume  0.11250E+01 ppm1      7.576 ppm2      4.330
 ASSI { 2799}
   (( segid "IL13" and resid 21   and name HN  ))
   (( segid "IL13" and resid 22   and name HG2 ))
      5.000     5.000     0.000 peak  2799 weight  0.10000E+01 volume  0.24200E+00 ppm1      7.578 ppm2      2.498
 OR { 2799}
   (( segid "IL13" and resid 21   and name HN  ))
   (( segid "IL13" and resid 22   and name HG1 ))
 ASSI { 1340}
   (( segid "IL13" and resid 21   and name HN  ))
   (( segid "IL13" and resid 22   and name HN  ))
      3.500     3.500     0.000 peak  1340 weight  0.10000E+01 volume  0.21750E+01 ppm1      7.577 ppm2      7.952
 ASSI { 1310}
   (( segid "IL13" and resid 22   and name HN  ))
   (( segid "IL13" and resid 22   and name HA  ))
      3.500     3.500     0.000 peak  1310 weight  0.10000E+01 volume  0.24020E+01 ppm1      7.947 ppm2      4.358
 ASSI { 1248}
   (( segid "IL13" and resid 22   and name HN  ))
   (( segid "IL13" and resid 22   and name HB2 ))
      2.700     2.700     0.000 peak  1248 weight  0.10000E+01 volume  0.35550E+01 ppm1      7.947 ppm2      2.134
 ASSI { 1416}
   (( segid "IL13" and resid 22   and name HN  ))
   (( segid "IL13" and resid 22   and name HG2 ))
      3.500     3.500     0.000 peak  1416 weight  0.10000E+01 volume  0.16840E+01 ppm1      7.947 ppm2      2.499
 OR { 1416}
   (( segid "IL13" and resid 22   and name HN  ))
   (( segid "IL13" and resid 22   and name HG1 ))
 ASSI { 1561}
   (( segid "IL13" and resid 22   and name HN  ))
   (( segid "IL13" and resid 23   and name HN  ))
      3.500     3.500     0.000 peak  1561 weight  0.10000E+01 volume  0.12130E+01 ppm1      7.947 ppm2      8.271
 ASSI { 1851}
   (( segid "IL13" and resid 22   and name HE21))
   (( segid "IL13" and resid 22   and name HG2 ))
      3.500     3.500     0.000 peak  1851 weight  0.10000E+01 volume  0.74300E+00 ppm1      7.517 ppm2      2.495
 OR { 1851}
   (( segid "IL13" and resid 22   and name HE21))
   (( segid "IL13" and resid 22   and name HG1 ))
 ASSI { 3035}
   (( segid "IL13" and resid 23   and name HN  ))
   (( segid "IL13" and resid 21   and name HN  ))
      5.000     5.000     0.000 peak  3035 weight  0.10000E+01 volume  0.21100E+00 ppm1      8.283 ppm2      7.574
 ASSI { 1763}
   (( segid "IL13" and resid 23   and name HN  ))
   (( segid "IL13" and resid 23   and name HB1 ))
      3.500     3.500     0.000 peak  1763 weight  0.10000E+01 volume  0.84000E+00 ppm1      8.278 ppm2      3.011
 ASSI { 1625}
   (( segid "IL13" and resid 23   and name HN  ))
   (( segid "IL13" and resid 23   and name HB2 ))
      3.500     3.500     0.000 peak  1625 weight  0.10000E+01 volume  0.10640E+01 ppm1      8.278 ppm2      2.869
 ASSI { 1798}
   (( segid "IL13" and resid 23   and name HD21))
   (( segid "IL13" and resid 23   and name HB1 ))
      3.500     3.500     0.000 peak  1798 weight  0.10000E+01 volume  0.80400E+00 ppm1      7.750 ppm2      3.010
 ASSI { 1993}
   (( segid "IL13" and resid 23   and name HD22))
   (( segid "IL13" and resid 23   and name HB1 ))
      5.000     5.000     0.000 peak  1993 weight  0.10000E+01 volume  0.57500E+00 ppm1      6.997 ppm2      3.020
 ASSI { 1538}
   (( segid "IL13" and resid 23   and name HD21))
   (( segid "IL13" and resid 23   and name HB2 ))
      3.500     3.500     0.000 peak  1538 weight  0.10000E+01 volume  0.12760E+01 ppm1      7.751 ppm2      2.866
 ASSI { 1724}
   (( segid "IL13" and resid 23   and name HD22))
   (( segid "IL13" and resid 23   and name HB2 ))
      3.500     3.500     0.000 peak  1724 weight  0.10000E+01 volume  0.89900E+00 ppm1      6.999 ppm2      2.865
 ASSI { 1569}
   (( segid "IL13" and resid 24   and name HN  ))
   (( segid "IL13" and resid 24   and name HA  ))
      3.500     3.500     0.000 peak  1569 weight  0.10000E+01 volume  0.11890E+01 ppm1      8.154 ppm2      4.383
 ASSI { 1783}
   (( segid "IL13" and resid 24   and name HN  ))
   (( segid "IL13" and resid 24   and name HB1 ))
      3.500     3.500     0.000 peak  1783 weight  0.10000E+01 volume  0.81600E+00 ppm1      8.150 ppm2      2.239
 ASSI { 1880}
   (( segid "IL13" and resid 24   and name HN  ))
   (( segid "IL13" and resid 24   and name HG2 ))
      3.500     3.500     0.000 peak  1880 weight  0.10000E+01 volume  0.71000E+00 ppm1      8.155 ppm2      2.364
 ASSI { 1590}
   (( segid "IL13" and resid 24   and name HE21))
   (( segid "IL13" and resid 24   and name HG2 ))
      3.500     3.500     0.000 peak  1590 weight  0.10000E+01 volume  0.11380E+01 ppm1      7.552 ppm2      2.365
 ASSI { 1857}
   (( segid "IL13" and resid 24   and name HE22))
   (( segid "IL13" and resid 24   and name HG2 ))
      3.500     3.500     0.000 peak  1857 weight  0.10000E+01 volume  0.73600E+00 ppm1      6.887 ppm2      2.367
 OR { 1857}
   (( segid "IL13" and resid 24   and name HE22))
   (( segid "IL13" and resid 24   and name HG1 ))
 ASSI { 1872}
   (( segid "IL13" and resid 25   and name HN  ))
   (( segid "IL13" and resid 24   and name HA  ))
      3.500     3.500     0.000 peak  1872 weight  0.10000E+01 volume  0.71800E+00 ppm1      8.490 ppm2      4.376
 ASSI { 1815}
   (( segid "IL13" and resid 26   and name HN  ))
   (( segid "IL13" and resid 24   and name HB1 ))
      3.500     3.500     0.000 peak  1815 weight  0.10000E+01 volume  0.78400E+00 ppm1      7.736 ppm2      2.248
 ASSI { 2280}
   (( segid "IL13" and resid 26   and name HN  ))
   (( segid "IL13" and resid 24   and name HG1 ))
      5.000     5.000     0.000 peak  2280 weight  0.10000E+01 volume  0.38500E+00 ppm1      7.736 ppm2      2.368
 OR { 2280}
   (( segid "IL13" and resid 26   and name HN  ))
   (( segid "IL13" and resid 24   and name HG2 ))
 ASSI { 1462}
   (( segid "IL13" and resid 26   and name HN  ))
   (( segid "IL13" and resid 25   and name HA  ))
      3.500     3.500     0.000 peak  1462 weight  0.10000E+01 volume  0.14790E+01 ppm1      7.736 ppm2      4.288
 ASSI { 1627}
   (( segid "IL13" and resid 26   and name HN  ))
   (( segid "IL13" and resid 25   and name HN  ))
      3.500     3.500     0.000 peak  1627 weight  0.10000E+01 volume  0.10600E+01 ppm1      7.736 ppm2      8.496
 ASSI { 1229}
   (( segid "IL13" and resid 26   and name HN  ))
   (  segid "IL13" and resid 26   and name HB% )
      3.500     3.500     0.000 peak  1229 weight  0.10000E+01 volume  0.14060E+01 ppm1      7.736 ppm2      1.380
 ASSI { 2151}
   (( segid "IL13" and resid 26   and name HN  ))
   (( segid "IL13" and resid 27   and name HD1 ))
      5.000     5.000     0.000 peak  2151 weight  0.10000E+01 volume  0.45700E+00 ppm1      7.738 ppm2      3.816
 ASSI { 2541}
   (( segid "IL13" and resid 26   and name HN  ))
   (( segid "IL13" and resid 27   and name HD2 ))
      5.000     5.000     0.000 peak  2541 weight  0.10000E+01 volume  0.30100E+00 ppm1      7.732 ppm2      3.613
 ASSI { 1222}
   (( segid "IL13" and resid 28   and name HN  ))
   (( segid "IL13" and resid 27   and name HA  ))
      2.700     2.700     0.000 peak  1222 weight  0.10000E+01 volume  0.45920E+01 ppm1      8.392 ppm2      4.341
 ASSI { 1244}
   (( segid "IL13" and resid 28   and name HN  ))
   (( segid "IL13" and resid 28   and name HB1 ))
      2.700     2.700     0.000 peak  1244 weight  0.10000E+01 volume  0.36720E+01 ppm1      8.391 ppm2      1.605
 OR { 1244}
   (( segid "IL13" and resid 28   and name HN  ))
   (( segid "IL13" and resid 28   and name HB2 ))
 ASSI { 1990}
   (( segid "IL13" and resid 28   and name HN  ))
   (  segid "IL13" and resid 28   and name HD1%)
      5.000     5.000     0.000 peak  1990 weight  0.10000E+01 volume  0.19200E+00 ppm1      8.391 ppm2      0.891
 ASSI { 2554}
   (( segid "IL13" and resid 28   and name HN  ))
   (( segid "IL13" and resid 29   and name HN  ))
      5.000     5.000     0.000 peak  2554 weight  0.10000E+01 volume  0.29700E+00 ppm1      8.391 ppm2      9.713
 ASSI { 2203}
   (( segid "IL13" and resid 29   and name HN  ))
   (( segid "IL13" and resid 28   and name HB1 ))
      5.000     5.000     0.000 peak  2203 weight  0.10000E+01 volume  0.43000E+00 ppm1      9.714 ppm2      1.622
 ASSI { 2518}
   (( segid "IL13" and resid 29   and name HN  ))
   (( segid "IL13" and resid 29   and name HB1 ))
      5.000     5.000     0.000 peak  2518 weight  0.10000E+01 volume  0.30800E+00 ppm1      9.708 ppm2      3.520
 ASSI { 2872}
   (( segid "IL13" and resid 29   and name HN  ))
   (( segid "IL13" and resid 29   and name HB2 ))
      5.000     5.000     0.000 peak  2872 weight  0.10000E+01 volume  0.23000E+00 ppm1      9.712 ppm2      2.899
 ASSI { 1795}
   (( segid "IL13" and resid 29   and name HN  ))
   (( segid "IL13" and resid 30   and name HN  ))
      5.000     5.000     0.000 peak  1795 weight  0.10000E+01 volume  0.80700E+00 ppm1      9.712 ppm2      8.388
 ASSI { 1755}
   (( segid "IL13" and resid 30   and name HN  ))
   (( segid "IL13" and resid 30   and name HB1 ))
      3.500     3.500     0.000 peak  1755 weight  0.10000E+01 volume  0.85600E+00 ppm1      8.386 ppm2      3.054
 ASSI { 1831}
   (( segid "IL13" and resid 30   and name HN  ))
   (( segid "IL13" and resid 31   and name HN  ))
      3.500     3.500     0.000 peak  1831 weight  0.10000E+01 volume  0.76100E+00 ppm1      8.384 ppm2      8.209
 ASSI { 1935}
   (( segid "IL13" and resid 30   and name HD21))
   (( segid "IL13" and resid 30   and name HB1 ))
      5.000     5.000     0.000 peak  1935 weight  0.10000E+01 volume  0.64100E+00 ppm1      7.700 ppm2      3.059
 ASSI { 1929}
   (( segid "IL13" and resid 30   and name HD21))
   (( segid "IL13" and resid 30   and name HB2 ))
      5.000     5.000     0.000 peak  1929 weight  0.10000E+01 volume  0.64900E+00 ppm1      7.698 ppm2      2.802
 ASSI { 1139}
   (( segid "IL13" and resid 30   and name HD22))
   (( segid "IL13" and resid 30   and name HD21))
      2.700     2.700     0.000 peak  1139 weight  0.10000E+01 volume  0.20268E+02 ppm1      6.984 ppm2      7.697
 ASSI { 1646}
   (( segid "IL13" and resid 31   and name HN  ))
   (( segid "IL13" and resid 30   and name HA  ))
      3.500     3.500     0.000 peak  1646 weight  0.10000E+01 volume  0.10380E+01 ppm1      8.188 ppm2      4.332
 ASSI { 3045}
   (( segid "IL13" and resid 31   and name HN  ))
   (( segid "IL13" and resid 30   and name HB1 ))
      5.000     5.000     0.000 peak  3045 weight  0.10000E+01 volume  0.21000E+00 ppm1      8.188 ppm2      3.060
 ASSI { 1703}
   (( segid "IL13" and resid 31   and name HN  ))
   (( segid "IL13" and resid 31   and name HA1 ))
      3.500     3.500     0.000 peak  1703 weight  0.10000E+01 volume  0.93400E+00 ppm1      8.194 ppm2      4.174
 ASSI { 1681}
   (( segid "IL13" and resid 31   and name HN  ))
   (( segid "IL13" and resid 31   and name HA2 ))
      3.500     3.500     0.000 peak  1681 weight  0.10000E+01 volume  0.96600E+00 ppm1      8.190 ppm2      3.901
 ASSI { 1887}
   (( segid "IL13" and resid 31   and name HN  ))
   (( segid "IL13" and resid 32   and name HN  ))
      3.500     3.500     0.000 peak  1887 weight  0.10000E+01 volume  0.70000E+00 ppm1      8.187 ppm2      7.678
 ASSI { 2523}
   (( segid "IL13" and resid 32   and name HN  ))
   (( segid "IL13" and resid 29   and name HB1 ))
      5.000     5.000     0.000 peak  2523 weight  0.10000E+01 volume  0.30600E+00 ppm1      7.678 ppm2      3.530
 ASSI { 2475}
   (( segid "IL13" and resid 32   and name HN  ))
   (( segid "IL13" and resid 29   and name HB2 ))
      5.000     5.000     0.000 peak  2475 weight  0.10000E+01 volume  0.32200E+00 ppm1      7.679 ppm2      2.908
 ASSI { 2064}
   (( segid "IL13" and resid 32   and name HN  ))
   (( segid "IL13" and resid 31   and name HA1 ))
      5.000     5.000     0.000 peak  2064 weight  0.10000E+01 volume  0.52100E+00 ppm1      7.679 ppm2      4.197
 ASSI { 2368}
   (( segid "IL13" and resid 32   and name HN  ))
   (( segid "IL13" and resid 33   and name HN  ))
      5.000     5.000     0.000 peak  2368 weight  0.10000E+01 volume  0.35300E+00 ppm1      7.677 ppm2      8.400
 ASSI { 1227}
   (( segid "IL13" and resid 33   and name HN  ))
   (( segid "IL13" and resid 32   and name HA  ))
      2.700     2.700     0.000 peak  1227 weight  0.10000E+01 volume  0.42680E+01 ppm1      8.417 ppm2      4.369
 ASSI { 1762}
   (( segid "IL13" and resid 33   and name HN  ))
   (( segid "IL13" and resid 33   and name HA  ))
      3.500     3.500     0.000 peak  1762 weight  0.10000E+01 volume  0.84300E+00 ppm1      8.414 ppm2      5.082
 ASSI { 1454}
   (( segid "IL13" and resid 33   and name HN  ))
   (( segid "IL13" and resid 33   and name HB1 ))
      3.500     3.500     0.000 peak  1454 weight  0.10000E+01 volume  0.15140E+01 ppm1      8.418 ppm2      1.795
 ASSI { 1767}
   (( segid "IL13" and resid 33   and name HN  ))
   (( segid "IL13" and resid 33   and name HB2 ))
      3.500     3.500     0.000 peak  1767 weight  0.10000E+01 volume  0.83800E+00 ppm1      8.416 ppm2      1.536
 ASSI { 1739}
   (( segid "IL13" and resid 33   and name HN  ))
   (( segid "IL13" and resid 33   and name HG1 ))
      3.500     3.500     0.000 peak  1739 weight  0.10000E+01 volume  0.87500E+00 ppm1      8.415 ppm2      2.612
 ASSI { 1556}
   (( segid "IL13" and resid 33   and name HN  ))
   (( segid "IL13" and resid 33   and name HG2 ))
      3.500     3.500     0.000 peak  1556 weight  0.10000E+01 volume  0.12250E+01 ppm1      8.415 ppm2      2.382
 ASSI { 2536}
   (( segid "IL13" and resid 33   and name HN  ))
   (( segid "IL13" and resid 34   and name HN  ))
      5.000     5.000     0.000 peak  2536 weight  0.10000E+01 volume  0.30200E+00 ppm1      8.415 ppm2      9.240
 ASSI { 1780}
   (( segid "IL13" and resid 34   and name HN  ))
   (( segid "IL13" and resid 33   and name HB2 ))
      3.500     3.500     0.000 peak  1780 weight  0.10000E+01 volume  0.82000E+00 ppm1      9.234 ppm2      1.520
 ASSI { 3392}
   (( segid "IL13" and resid 34   and name HN  ))
   (( segid "IL13" and resid 33   and name HG1 ))
      5.000     5.000     0.000 peak  3392 weight  0.10000E+01 volume  0.17800E+00 ppm1      9.225 ppm2      2.598
 ASSI { 2448}
   (( segid "IL13" and resid 34   and name HN  ))
   (( segid "IL13" and resid 33   and name HG2 ))
      5.000     5.000     0.000 peak  2448 weight  0.10000E+01 volume  0.32900E+00 ppm1      9.236 ppm2      2.380
 ASSI { 1852}
   (( segid "IL13" and resid 34   and name HN  ))
   (( segid "IL13" and resid 34   and name HA  ))
      3.500     3.500     0.000 peak  1852 weight  0.10000E+01 volume  0.74300E+00 ppm1      9.232 ppm2      4.462
 ASSI { 2595}
   (( segid "IL13" and resid 34   and name HN  ))
   (( segid "IL13" and resid 34   and name HB  ))
      5.000     5.000     0.000 peak  2595 weight  0.10000E+01 volume  0.28600E+00 ppm1      9.237 ppm2      2.048
 ASSI { 1876}
   (( segid "IL13" and resid 34   and name HN  ))
   (  segid "IL13" and resid 34   and name HG1%)
      5.000     5.000     0.000 peak  1876 weight  0.10000E+01 volume  0.23800E+00 ppm1      9.234 ppm2      0.476
 ASSI { 3169}
   (( segid "IL13" and resid 34   and name HN  ))
   (( segid "IL13" and resid 35   and name HN  ))
      5.000     5.000     0.000 peak  3169 weight  0.10000E+01 volume  0.19700E+00 ppm1      9.239 ppm2      7.895
 ASSI { 2313}
   (( segid "IL13" and resid 34   and name HN  ))
   (  segid "IL13" and resid 92   and name HG1%)
      5.000     5.000     0.000 peak  2313 weight  0.10000E+01 volume  0.41000E-01 ppm1      9.232 ppm2      0.867
 ASSI { 2000}
   (( segid "IL13" and resid 35   and name HN  ))
   (( segid "IL13" and resid 35   and name HB1 ))
      5.000     5.000     0.000 peak  2000 weight  0.10000E+01 volume  0.57000E+00 ppm1      7.896 ppm2      3.279
 ASSI { 1725}
   (( segid "IL13" and resid 35   and name HN  ))
   (( segid "IL13" and resid 35   and name HB2 ))
      3.500     3.500     0.000 peak  1725 weight  0.10000E+01 volume  0.89900E+00 ppm1      7.897 ppm2      2.972
 ASSI { 2186}
   (( segid "IL13" and resid 35   and name HN  ))
   (( segid "IL13" and resid 35   and name HD1 ))
      5.000     5.000     0.000 peak  2186 weight  0.10000E+01 volume  0.43900E+00 ppm1      7.896 ppm2      7.206
 ASSI { 2830}
   (( segid "IL13" and resid 35   and name HE1 ))
   (( segid "IL13" and resid 35   and name HB1 ))
      5.000     5.000     0.000 peak  2830 weight  0.10000E+01 volume  0.23700E+00 ppm1     10.074 ppm2      3.274
 ASSI { 1245}
   (( segid "IL13" and resid 35   and name HE1 ))
   (( segid "IL13" and resid 35   and name HD1 ))
      2.700     2.700     0.000 peak  1245 weight  0.10000E+01 volume  0.36370E+01 ppm1     10.079 ppm2      7.207
 ASSI { 1338}
   (( segid "IL13" and resid 35   and name HE1 ))
   (( segid "IL13" and resid 35   and name HZ2 ))
      3.500     3.500     0.000 peak  1338 weight  0.10000E+01 volume  0.21890E+01 ppm1     10.078 ppm2      7.358
 ASSI { 2336}
   (( segid "IL13" and resid 36   and name HN  ))
   (( segid "IL13" and resid 34   and name HN  ))
      5.000     5.000     0.000 peak  2336 weight  0.10000E+01 volume  0.36200E+00 ppm1      8.777 ppm2      9.251
 ASSI { 1839}
   (( segid "IL13" and resid 36   and name HN  ))
   (( segid "IL13" and resid 35   and name HB1 ))
      3.500     3.500     0.000 peak  1839 weight  0.10000E+01 volume  0.75200E+00 ppm1      8.778 ppm2      3.274
 ASSI { 2009}
   (( segid "IL13" and resid 36   and name HN  ))
   (( segid "IL13" and resid 35   and name HB2 ))
      5.000     5.000     0.000 peak  2009 weight  0.10000E+01 volume  0.56500E+00 ppm1      8.778 ppm2      2.971
 ASSI { 2693}
   (( segid "IL13" and resid 36   and name HN  ))
   (( segid "IL13" and resid 35   and name HN  ))
      5.000     5.000     0.000 peak  2693 weight  0.10000E+01 volume  0.26400E+00 ppm1      8.781 ppm2      7.874
 ASSI { 1581}
   (( segid "IL13" and resid 36   and name HN  ))
   (( segid "IL13" and resid 36   and name HA  ))
      3.500     3.500     0.000 peak  1581 weight  0.10000E+01 volume  0.11500E+01 ppm1      8.778 ppm2      4.553
 ASSI { 1545}
   (( segid "IL13" and resid 36   and name HN  ))
   (( segid "IL13" and resid 36   and name HB2 ))
      3.500     3.500     0.000 peak  1545 weight  0.10000E+01 volume  0.12620E+01 ppm1      8.778 ppm2      3.974
 ASSI { 2227}
   (( segid "IL13" and resid 36   and name HN  ))
   (( segid "IL13" and resid 37   and name HN  ))
      5.000     5.000     0.000 peak  2227 weight  0.10000E+01 volume  0.41500E+00 ppm1      8.779 ppm2      8.383
 ASSI { 1253}
   (( segid "IL13" and resid 37   and name HN  ))
   (( segid "IL13" and resid 36   and name HA  ))
      2.700     2.700     0.000 peak  1253 weight  0.10000E+01 volume  0.34150E+01 ppm1      8.362 ppm2      4.555
 ASSI { 1597}
   (( segid "IL13" and resid 37   and name HN  ))
   (( segid "IL13" and resid 36   and name HB1 ))
      3.500     3.500     0.000 peak  1597 weight  0.10000E+01 volume  0.11290E+01 ppm1      8.360 ppm2      4.044
 ASSI { 1980}
   (( segid "IL13" and resid 37   and name HN  ))
   (( segid "IL13" and resid 37   and name HB  ))
      5.000     5.000     0.000 peak  1980 weight  0.10000E+01 volume  0.59000E+00 ppm1      8.359 ppm2      1.818
 ASSI {  423}
   (( segid "IL13" and resid 37   and name HN  ))
   (  segid "IL13" and resid 37   and name HD1%)
      5.000     5.000     0.000 peak   423 weight  0.10000E+01 volume  0.16600E+00 ppm1      8.362 ppm2      0.740
 ASSI {  416}
   (( segid "IL13" and resid 37   and name HN  ))
   (( segid "IL13" and resid 37   and name HG11))
      3.500     3.500     0.000 peak   416 weight  0.10000E+01 volume  0.10520E+01 ppm1      8.361 ppm2      1.200
 ASSI {  410}
   (( segid "IL13" and resid 37   and name HN  ))
   (  segid "IL13" and resid 37   and name HG2%)
      3.500     3.500     0.000 peak   410 weight  0.10000E+01 volume  0.72300E+00 ppm1      8.360 ppm2      0.979
 ASSI { 1219}
   (( segid "IL13" and resid 38   and name HN  ))
   (( segid "IL13" and resid 37   and name HA  ))
      2.700     2.700     0.000 peak  1219 weight  0.10000E+01 volume  0.48670E+01 ppm1      8.458 ppm2      4.764
 ASSI { 1362}
   (( segid "IL13" and resid 38   and name HN  ))
   (( segid "IL13" and resid 37   and name HB  ))
      3.500     3.500     0.000 peak  1362 weight  0.10000E+01 volume  0.20590E+01 ppm1      8.460 ppm2      1.821
 ASSI { 2340}
   (( segid "IL13" and resid 38   and name HN  ))
   (( segid "IL13" and resid 37   and name HG11))
      5.000     5.000     0.000 peak  2340 weight  0.10000E+01 volume  0.36000E+00 ppm1      8.460 ppm2      1.189
 ASSI { 1769}
   (( segid "IL13" and resid 38   and name HD21))
   (( segid "IL13" and resid 38   and name HB2 ))
      3.500     3.500     0.000 peak  1769 weight  0.10000E+01 volume  0.83600E+00 ppm1      7.645 ppm2      2.717
 ASSI { 1899}
   (( segid "IL13" and resid 38   and name HD22))
   (( segid "IL13" and resid 38   and name HB2 ))
      3.500     3.500     0.000 peak  1899 weight  0.10000E+01 volume  0.69000E+00 ppm1      6.956 ppm2      2.723
 OR { 1899}
   (( segid "IL13" and resid 38   and name HD22))
   (( segid "IL13" and resid 38   and name HB1 ))
 ASSI { 1234}
   (( segid "IL13" and resid 39   and name HN  ))
   (( segid "IL13" and resid 38   and name HA  ))
      2.700     2.700     0.000 peak  1234 weight  0.10000E+01 volume  0.38970E+01 ppm1      8.468 ppm2      4.704
 ASSI { 1723}
   (( segid "IL13" and resid 39   and name HN  ))
   (( segid "IL13" and resid 39   and name HA  ))
      3.500     3.500     0.000 peak  1723 weight  0.10000E+01 volume  0.89900E+00 ppm1      8.466 ppm2      3.968
 ASSI { 2240}
   (( segid "IL13" and resid 40   and name HN  ))
   (( segid "IL13" and resid 39   and name HB2 ))
      5.000     5.000     0.000 peak  2240 weight  0.10000E+01 volume  0.41000E+00 ppm1      7.445 ppm2      1.304
 ASSI { 2075}
   (( segid "IL13" and resid 40   and name HN  ))
   (  segid "IL13" and resid 39   and name HD1%)
      5.000     5.000     0.000 peak  2075 weight  0.10000E+01 volume  0.16900E+00 ppm1      7.446 ppm2      0.652
 ASSI { 2325}
   (( segid "IL13" and resid 40   and name HN  ))
   (( segid "IL13" and resid 39   and name HG  ))
      5.000     5.000     0.000 peak  2325 weight  0.10000E+01 volume  0.36400E+00 ppm1      7.442 ppm2      1.447
 ASSI { 1874}
   (( segid "IL13" and resid 40   and name HN  ))
   (( segid "IL13" and resid 39   and name HN  ))
      3.500     3.500     0.000 peak  1874 weight  0.10000E+01 volume  0.71700E+00 ppm1      7.442 ppm2      8.468
 ASSI { 1392}
   (( segid "IL13" and resid 40   and name HN  ))
   (( segid "IL13" and resid 40   and name HA  ))
      3.500     3.500     0.000 peak  1392 weight  0.10000E+01 volume  0.18130E+01 ppm1      7.445 ppm2      4.345
 ASSI { 2488}
   (( segid "IL13" and resid 40   and name HN  ))
   (( segid "IL13" and resid 41   and name HN  ))
      5.000     5.000     0.000 peak  2488 weight  0.10000E+01 volume  0.31700E+00 ppm1      7.448 ppm2      8.142
 ASSI { 1426}
   (( segid "IL13" and resid 41   and name HN  ))
   (( segid "IL13" and resid 41   and name HA  ))
      3.500     3.500     0.000 peak  1426 weight  0.10000E+01 volume  0.16240E+01 ppm1      8.137 ppm2      4.344
 ASSI { 1583}
   (( segid "IL13" and resid 41   and name HN  ))
   (  segid "IL13" and resid 41   and name HB% )
      5.000     5.000     0.000 peak  1583 weight  0.10000E+01 volume  0.38200E+00 ppm1      8.136 ppm2      1.418
 ASSI { 2404}
   (( segid "IL13" and resid 42   and name HN  ))
   (( segid "IL13" and resid 41   and name HA  ))
      5.000     5.000     0.000 peak  2404 weight  0.10000E+01 volume  0.34100E+00 ppm1      8.594 ppm2      4.346
 ASSI { 3093}
   (( segid "IL13" and resid 42   and name HN  ))
   (( segid "IL13" and resid 42   and name HA1 ))
      5.000     5.000     0.000 peak  3093 weight  0.10000E+01 volume  0.20400E+00 ppm1      8.587 ppm2      4.141
 ASSI { 2940}
   (( segid "IL13" and resid 42   and name HN  ))
   (( segid "IL13" and resid 42   and name HA2 ))
      5.000     5.000     0.000 peak  2940 weight  0.10000E+01 volume  0.22100E+00 ppm1      8.588 ppm2      3.964
 ASSI { 1575}
   (( segid "IL13" and resid 43   and name HN  ))
   (( segid "IL13" and resid 42   and name HA1 ))
      3.500     3.500     0.000 peak  1575 weight  0.10000E+01 volume  0.11740E+01 ppm1      7.865 ppm2      4.144
 ASSI { 1417}
   (( segid "IL13" and resid 43   and name HN  ))
   (( segid "IL13" and resid 43   and name HA  ))
      3.500     3.500     0.000 peak  1417 weight  0.10000E+01 volume  0.16710E+01 ppm1      7.863 ppm2      4.290
 ASSI { 1813}
   (( segid "IL13" and resid 43   and name HN  ))
   (( segid "IL13" and resid 44   and name HN  ))
      3.500     3.500     0.000 peak  1813 weight  0.10000E+01 volume  0.78600E+00 ppm1      7.864 ppm2      7.562
 ASSI { 1621}
   (( segid "IL13" and resid 44   and name HN  ))
   (( segid "IL13" and resid 44   and name HA  ))
      3.500     3.500     0.000 peak  1621 weight  0.10000E+01 volume  0.10770E+01 ppm1      7.559 ppm2      4.033
 ASSI { 2354}
   (( segid "IL13" and resid 44   and name HN  ))
   (  segid "IL13" and resid 44   and name HE% )
      5.000     5.000     0.000 peak  2354 weight  0.10000E+01 volume  0.35600E+00 ppm1      7.557 ppm2      6.453
 ASSI { 3106}
   (( segid "IL13" and resid 44   and name HN  ))
   (( segid "IL13" and resid 45   and name HB2 ))
      5.000     5.000     0.000 peak  3106 weight  0.10000E+01 volume  0.20300E+00 ppm1      7.558 ppm2      3.173
 ASSI { 1648}
   (( segid "IL13" and resid 44   and name HN  ))
   (( segid "IL13" and resid 45   and name HN  ))
      3.500     3.500     0.000 peak  1648 weight  0.10000E+01 volume  0.10360E+01 ppm1      7.558 ppm2      8.715
 ASSI { 2717}
   (( segid "IL13" and resid 44   and name HN  ))
   (( segid "IL13" and resid 46   and name HN  ))
      5.000     5.000     0.000 peak  2717 weight  0.10000E+01 volume  0.25900E+00 ppm1      7.558 ppm2      8.291
 ASSI { 2395}
   (( segid "IL13" and resid 45   and name HN  ))
   (( segid "IL13" and resid 44   and name HA  ))
      5.000     5.000     0.000 peak  2395 weight  0.10000E+01 volume  0.34400E+00 ppm1      8.715 ppm2      4.036
 ASSI { 1640}
   (( segid "IL13" and resid 45   and name HN  ))
   (( segid "IL13" and resid 44   and name HB2 ))
      3.500     3.500     0.000 peak  1640 weight  0.10000E+01 volume  0.10480E+01 ppm1      8.718 ppm2      2.962
 ASSI { 2452}
   (( segid "IL13" and resid 45   and name HN  ))
   (  segid "IL13" and resid 44   and name HD% )
      5.000     5.000     0.000 peak  2452 weight  0.10000E+01 volume  0.32800E+00 ppm1      8.715 ppm2      6.949
 ASSI { 1810}
   (( segid "IL13" and resid 45   and name HN  ))
   (( segid "IL13" and resid 45   and name HA  ))
      3.500     3.500     0.000 peak  1810 weight  0.10000E+01 volume  0.78900E+00 ppm1      8.717 ppm2      4.462
 ASSI { 1542}
   (( segid "IL13" and resid 45   and name HN  ))
   (( segid "IL13" and resid 46   and name HN  ))
      3.500     3.500     0.000 peak  1542 weight  0.10000E+01 volume  0.12630E+01 ppm1      8.718 ppm2      8.292
 ASSI { 1461}
   (( segid "IL13" and resid 46   and name HN  ))
   (( segid "IL13" and resid 46   and name HA  ))
      3.500     3.500     0.000 peak  1461 weight  0.10000E+01 volume  0.14860E+01 ppm1      8.291 ppm2      4.198
 ASSI { 1241}
   (( segid "IL13" and resid 46   and name HN  ))
   (  segid "IL13" and resid 46   and name HB% )
      3.500     3.500     0.000 peak  1241 weight  0.10000E+01 volume  0.12320E+01 ppm1      8.291 ppm2      1.467
 ASSI { 1399}
   (( segid "IL13" and resid 47   and name HN  ))
   (  segid "IL13" and resid 46   and name HB% )
      5.000     5.000     0.000 peak  1399 weight  0.10000E+01 volume  0.19700E+00 ppm1      8.671 ppm2      1.469
 ASSI { 1520}
   (( segid "IL13" and resid 47   and name HN  ))
   (( segid "IL13" and resid 46   and name HN  ))
      3.500     3.500     0.000 peak  1520 weight  0.10000E+01 volume  0.13060E+01 ppm1      8.670 ppm2      8.293
 ASSI { 1738}
   (( segid "IL13" and resid 47   and name HN  ))
   (( segid "IL13" and resid 47   and name HA  ))
      3.500     3.500     0.000 peak  1738 weight  0.10000E+01 volume  0.87800E+00 ppm1      8.670 ppm2      4.372
 ASSI { 1268}
   (( segid "IL13" and resid 47   and name HN  ))
   (  segid "IL13" and resid 47   and name HB% )
      3.500     3.500     0.000 peak  1268 weight  0.10000E+01 volume  0.97100E+00 ppm1      8.670 ppm2      1.628
 ASSI { 1517}
   (( segid "IL13" and resid 47   and name HN  ))
   (( segid "IL13" and resid 48   and name HN  ))
      3.500     3.500     0.000 peak  1517 weight  0.10000E+01 volume  0.13110E+01 ppm1      8.674 ppm2      8.130
 ASSI { 2005}
   (( segid "IL13" and resid 48   and name HN  ))
   (( segid "IL13" and resid 45   and name HA  ))
      5.000     5.000     0.000 peak  2005 weight  0.10000E+01 volume  0.56700E+00 ppm1      8.132 ppm2      4.455
 ASSI { 2057}
   (( segid "IL13" and resid 48   and name HN  ))
   (( segid "IL13" and resid 46   and name HN  ))
      5.000     5.000     0.000 peak  2057 weight  0.10000E+01 volume  0.52700E+00 ppm1      8.135 ppm2      8.297
 ASSI { 1486}
   (( segid "IL13" and resid 48   and name HN  ))
   (( segid "IL13" and resid 48   and name HA  ))
      3.500     3.500     0.000 peak  1486 weight  0.10000E+01 volume  0.14100E+01 ppm1      8.132 ppm2      4.093
 ASSI { 1346}
   (( segid "IL13" and resid 48   and name HN  ))
   (( segid "IL13" and resid 48   and name HB1 ))
      3.500     3.500     0.000 peak  1346 weight  0.10000E+01 volume  0.21430E+01 ppm1      8.130 ppm2      2.231
 ASSI { 1228}
   (( segid "IL13" and resid 48   and name HN  ))
   (( segid "IL13" and resid 48   and name HB2 ))
      2.700     2.700     0.000 peak  1228 weight  0.10000E+01 volume  0.42600E+01 ppm1      8.132 ppm2      1.627
 ASSI { 1431}
   (( segid "IL13" and resid 48   and name HN  ))
   (  segid "IL13" and resid 48   and name HD1%)
      5.000     5.000     0.000 peak  1431 weight  0.10000E+01 volume  0.53600E+00 ppm1      8.133 ppm2      1.060
 OR { 1431}
   (( segid "IL13" and resid 48   and name HN  ))
   (  segid "IL13" and resid 48   and name HD2%)
 ASSI { 1553}
   (( segid "IL13" and resid 48   and name HN  ))
   (( segid "IL13" and resid 49   and name HN  ))
      3.500     3.500     0.000 peak  1553 weight  0.10000E+01 volume  0.12390E+01 ppm1      8.130 ppm2      8.508
 ASSI { 2025}
   (( segid "IL13" and resid 49   and name HN  ))
   (( segid "IL13" and resid 46   and name HA  ))
      5.000     5.000     0.000 peak  2025 weight  0.10000E+01 volume  0.55200E+00 ppm1      8.512 ppm2      4.179
 ASSI { 1668}
   (( segid "IL13" and resid 49   and name HN  ))
   (( segid "IL13" and resid 48   and name HG  ))
      3.500     3.500     0.000 peak  1668 weight  0.10000E+01 volume  0.99400E+00 ppm1      8.510 ppm2      1.627
 ASSI { 1675}
   (( segid "IL13" and resid 49   and name HN  ))
   (( segid "IL13" and resid 49   and name HG1 ))
      3.500     3.500     0.000 peak  1675 weight  0.10000E+01 volume  0.97800E+00 ppm1      8.510 ppm2      2.595
 ASSI { 1357}
   (( segid "IL13" and resid 49   and name HN  ))
   (( segid "IL13" and resid 49   and name HG2 ))
      3.500     3.500     0.000 peak  1357 weight  0.10000E+01 volume  0.20720E+01 ppm1      8.510 ppm2      2.314
 ASSI { 1835}
   (( segid "IL13" and resid 49   and name HN  ))
   (( segid "IL13" and resid 50   and name HN  ))
      3.500     3.500     0.000 peak  1835 weight  0.10000E+01 volume  0.75300E+00 ppm1      8.511 ppm2      7.876
 ASSI { 1877}
   (( segid "IL13" and resid 50   and name HN  ))
   (( segid "IL13" and resid 49   and name HG2 ))
      3.500     3.500     0.000 peak  1877 weight  0.10000E+01 volume  0.71300E+00 ppm1      7.871 ppm2      2.318
 ASSI { 1596}
   (( segid "IL13" and resid 50   and name HN  ))
   (( segid "IL13" and resid 50   and name HA  ))
      3.500     3.500     0.000 peak  1596 weight  0.10000E+01 volume  0.11300E+01 ppm1      7.872 ppm2      4.334
 ASSI { 1552}
   (( segid "IL13" and resid 50   and name HN  ))
   (( segid "IL13" and resid 50   and name HB1 ))
      3.500     3.500     0.000 peak  1552 weight  0.10000E+01 volume  0.12460E+01 ppm1      7.872 ppm2      3.914
 ASSI { 1655}
   (( segid "IL13" and resid 50   and name HN  ))
   (( segid "IL13" and resid 50   and name HB2 ))
      3.500     3.500     0.000 peak  1655 weight  0.10000E+01 volume  0.10210E+01 ppm1      7.875 ppm2      3.696
 ASSI { 1641}
   (( segid "IL13" and resid 50   and name HN  ))
   (( segid "IL13" and resid 51   and name HN  ))
      3.500     3.500     0.000 peak  1641 weight  0.10000E+01 volume  0.10470E+01 ppm1      7.874 ppm2      8.040
 ASSI { 2107}
   (( segid "IL13" and resid 51   and name HN  ))
   (( segid "IL13" and resid 50   and name HA  ))
      5.000     5.000     0.000 peak  2107 weight  0.10000E+01 volume  0.48700E+00 ppm1      8.049 ppm2      4.315
 ASSI { 1895}
   (( segid "IL13" and resid 51   and name HN  ))
   (( segid "IL13" and resid 50   and name HB2 ))
      3.500     3.500     0.000 peak  1895 weight  0.10000E+01 volume  0.69300E+00 ppm1      8.041 ppm2      3.710
 ASSI { 1680}
   (( segid "IL13" and resid 51   and name HN  ))
   (( segid "IL13" and resid 51   and name HA  ))
      3.500     3.500     0.000 peak  1680 weight  0.10000E+01 volume  0.96800E+00 ppm1      8.038 ppm2      3.964
 ASSI { 1333}
   (( segid "IL13" and resid 51   and name HN  ))
   (( segid "IL13" and resid 51   and name HB1 ))
      3.500     3.500     0.000 peak  1333 weight  0.10000E+01 volume  0.22220E+01 ppm1      8.039 ppm2      1.770
 ASSI { 1765}
   (( segid "IL13" and resid 51   and name HN  ))
   (( segid "IL13" and resid 51   and name HB2 ))
      3.500     3.500     0.000 peak  1765 weight  0.10000E+01 volume  0.83800E+00 ppm1      8.042 ppm2      1.410
 ASSI { 2197}
   (( segid "IL13" and resid 51   and name HN  ))
   (  segid "IL13" and resid 51   and name HD2%)
      5.000     5.000     0.000 peak  2197 weight  0.10000E+01 volume  0.14400E+00 ppm1      8.041 ppm2      0.590
 ASSI { 1825}
   (( segid "IL13" and resid 51   and name HN  ))
   (( segid "IL13" and resid 52   and name HN  ))
      3.500     3.500     0.000 peak  1825 weight  0.10000E+01 volume  0.76900E+00 ppm1      8.040 ppm2      8.849
 ASSI { 2932}
   (( segid "IL13" and resid 52   and name HN  ))
   (( segid "IL13" and resid 49   and name HA  ))
      5.000     5.000     0.000 peak  2932 weight  0.10000E+01 volume  0.22200E+00 ppm1      8.852 ppm2      3.832
 ASSI { 1612}
   (( segid "IL13" and resid 52   and name HN  ))
   (( segid "IL13" and resid 52   and name HA  ))
      3.500     3.500     0.000 peak  1612 weight  0.10000E+01 volume  0.11050E+01 ppm1      8.857 ppm2      4.181
 ASSI { 1934}
   (( segid "IL13" and resid 52   and name HN  ))
   (( segid "IL13" and resid 52   and name HG12))
      5.000     5.000     0.000 peak  1934 weight  0.10000E+01 volume  0.64200E+00 ppm1      8.857 ppm2      1.368
 ASSI { 1853}
   (( segid "IL13" and resid 52   and name HN  ))
   (( segid "IL13" and resid 53   and name HN  ))
      3.500     3.500     0.000 peak  1853 weight  0.10000E+01 volume  0.74200E+00 ppm1      8.856 ppm2      7.049
 ASSI { 2389}
   (( segid "IL13" and resid 53   and name HN  ))
   (( segid "IL13" and resid 51   and name HA  ))
      5.000     5.000     0.000 peak  2389 weight  0.10000E+01 volume  0.34500E+00 ppm1      7.051 ppm2      4.004
 ASSI { 3232}
   (( segid "IL13" and resid 53   and name HN  ))
   (( segid "IL13" and resid 51   and name HN  ))
      5.000     5.000     0.000 peak  3232 weight  0.10000E+01 volume  0.19000E+00 ppm1      7.045 ppm2      8.071
 ASSI { 2097}
   (( segid "IL13" and resid 53   and name HN  ))
   (( segid "IL13" and resid 52   and name HA  ))
      5.000     5.000     0.000 peak  2097 weight  0.10000E+01 volume  0.49200E+00 ppm1      7.058 ppm2      4.172
 ASSI { 2450}
   (( segid "IL13" and resid 53   and name HN  ))
   (( segid "IL13" and resid 52   and name HB  ))
      5.000     5.000     0.000 peak  2450 weight  0.10000E+01 volume  0.32800E+00 ppm1      7.051 ppm2      2.006
 ASSI { 2995}
   (( segid "IL13" and resid 53   and name HN  ))
   (( segid "IL13" and resid 52   and name HG12))
      5.000     5.000     0.000 peak  2995 weight  0.10000E+01 volume  0.21600E+00 ppm1      7.050 ppm2      1.352
 ASSI { 1604}
   (( segid "IL13" and resid 53   and name HN  ))
   (( segid "IL13" and resid 53   and name HA  ))
      3.500     3.500     0.000 peak  1604 weight  0.10000E+01 volume  0.11240E+01 ppm1      7.054 ppm2      4.661
 ASSI { 1998}
   (( segid "IL13" and resid 53   and name HN  ))
   (( segid "IL13" and resid 53   and name HD21))
      5.000     5.000     0.000 peak  1998 weight  0.10000E+01 volume  0.57000E+00 ppm1      7.052 ppm2      7.728
 ASSI { 1518}
   (( segid "IL13" and resid 53   and name HN  ))
   (( segid "IL13" and resid 54   and name HN  ))
      3.500     3.500     0.000 peak  1518 weight  0.10000E+01 volume  0.13100E+01 ppm1      7.054 ppm2      7.466
 ASSI { 3064}
   (( segid "IL13" and resid 53   and name HD22))
   (( segid "IL13" and resid 53   and name HB1 ))
      5.000     5.000     0.000 peak  3064 weight  0.10000E+01 volume  0.20700E+00 ppm1      7.364 ppm2      2.985
 ASSI { 1238}
   (( segid "IL13" and resid 53   and name HD21))
   (( segid "IL13" and resid 53   and name HD22))
      2.700     2.700     0.000 peak  1238 weight  0.10000E+01 volume  0.37590E+01 ppm1      7.726 ppm2      7.356
 ASSI { 2927}
   (( segid "IL13" and resid 53   and name HD22))
   (( segid "IL13" and resid 53   and name HN  ))
      5.000     5.000     0.000 peak  2927 weight  0.10000E+01 volume  0.22300E+00 ppm1      7.371 ppm2      7.047
 ASSI { 2079}
   (( segid "IL13" and resid 54   and name HN  ))
   (( segid "IL13" and resid 52   and name HA  ))
      5.000     5.000     0.000 peak  2079 weight  0.10000E+01 volume  0.50300E+00 ppm1      7.470 ppm2      4.168
 ASSI { 1878}
   (( segid "IL13" and resid 54   and name HN  ))
   (( segid "IL13" and resid 53   and name HA  ))
      3.500     3.500     0.000 peak  1878 weight  0.10000E+01 volume  0.71200E+00 ppm1      7.471 ppm2      4.673
 ASSI { 2570}
   (( segid "IL13" and resid 54   and name HN  ))
   (( segid "IL13" and resid 53   and name HB1 ))
      5.000     5.000     0.000 peak  2570 weight  0.10000E+01 volume  0.29400E+00 ppm1      7.464 ppm2      2.994
 ASSI { 2310}
   (( segid "IL13" and resid 54   and name HN  ))
   (( segid "IL13" and resid 53   and name HB2 ))
      5.000     5.000     0.000 peak  2310 weight  0.10000E+01 volume  0.37300E+00 ppm1      7.468 ppm2      2.650
 ASSI { 1471}
   (( segid "IL13" and resid 54   and name HN  ))
   (  segid "IL13" and resid 54   and name HG1%)
      5.000     5.000     0.000 peak  1471 weight  0.10000E+01 volume  0.48600E+00 ppm1      7.470 ppm2      0.953
 ASSI { 1307}
   (( segid "IL13" and resid 54   and name HN  ))
   (  segid "IL13" and resid 54   and name HG2%)
      3.500     3.500     0.000 peak  1307 weight  0.10000E+01 volume  0.81000E+00 ppm1      7.470 ppm2      0.794
 ASSI { 2264}
   (( segid "IL13" and resid 54   and name HN  ))
   (( segid "IL13" and resid 55   and name HN  ))
      5.000     5.000     0.000 peak  2264 weight  0.10000E+01 volume  0.39300E+00 ppm1      7.473 ppm2      8.471
 ASSI { 1223}
   (( segid "IL13" and resid 55   and name HN  ))
   (( segid "IL13" and resid 54   and name HA  ))
      2.700     2.700     0.000 peak  1223 weight  0.10000E+01 volume  0.44060E+01 ppm1      8.468 ppm2      4.038
 ASSI { 2307}
   (( segid "IL13" and resid 55   and name HN  ))
   (( segid "IL13" and resid 54   and name HB  ))
      5.000     5.000     0.000 peak  2307 weight  0.10000E+01 volume  0.37400E+00 ppm1      8.468 ppm2      2.144
 ASSI { 1466}
   (( segid "IL13" and resid 55   and name HN  ))
   (  segid "IL13" and resid 54   and name HG1%)
      5.000     5.000     0.000 peak  1466 weight  0.10000E+01 volume  0.49200E+00 ppm1      8.468 ppm2      0.963
 ASSI { 1955}
   (( segid "IL13" and resid 55   and name HN  ))
   (  segid "IL13" and resid 54   and name HG2%)
      5.000     5.000     0.000 peak  1955 weight  0.10000E+01 volume  0.20500E+00 ppm1      8.469 ppm2      0.808
 ASSI { 1345}
   (( segid "IL13" and resid 55   and name HN  ))
   (( segid "IL13" and resid 55   and name HA  ))
      3.500     3.500     0.000 peak  1345 weight  0.10000E+01 volume  0.21500E+01 ppm1      8.468 ppm2      4.778
 ASSI { 3026}
   (( segid "IL13" and resid 55   and name HN  ))
   (( segid "IL13" and resid 56   and name HN  ))
      5.000     5.000     0.000 peak  3026 weight  0.10000E+01 volume  0.21200E+00 ppm1      8.470 ppm2      8.872
 ASSI { 1239}
   (( segid "IL13" and resid 56   and name HN  ))
   (( segid "IL13" and resid 55   and name HA  ))
      2.700     2.700     0.000 peak  1239 weight  0.10000E+01 volume  0.37500E+01 ppm1      8.886 ppm2      4.776
 ASSI { 1273}
   (( segid "IL13" and resid 56   and name HN  ))
   (( segid "IL13" and resid 56   and name HA2 ))
      3.500     3.500     0.000 peak  1273 weight  0.10000E+01 volume  0.28360E+01 ppm1      8.886 ppm2      3.844
 OR { 1273}
   (( segid "IL13" and resid 56   and name HN  ))
   (( segid "IL13" and resid 56   and name HA1 ))
 ASSI { 1734}
   (( segid "IL13" and resid 56   and name HN  ))
   (( segid "IL13" and resid 57   and name HN  ))
      3.500     3.500     0.000 peak  1734 weight  0.10000E+01 volume  0.88600E+00 ppm1      8.886 ppm2      8.636
 ASSI { 1295}
   (( segid "IL13" and resid 57   and name HN  ))
   (( segid "IL13" and resid 57   and name HA  ))
      3.500     3.500     0.000 peak  1295 weight  0.10000E+01 volume  0.24890E+01 ppm1      8.641 ppm2      4.814
 ASSI { 1434}
   (( segid "IL13" and resid 57   and name HN  ))
   (( segid "IL13" and resid 57   and name HB1 ))
      3.500     3.500     0.000 peak  1434 weight  0.10000E+01 volume  0.16060E+01 ppm1      8.641 ppm2      3.170
 ASSI { 1452}
   (( segid "IL13" and resid 57   and name HN  ))
   (( segid "IL13" and resid 57   and name HB2 ))
      3.500     3.500     0.000 peak  1452 weight  0.10000E+01 volume  0.15150E+01 ppm1      8.640 ppm2      3.051
 ASSI { 1692}
   (( segid "IL13" and resid 59   and name HN  ))
   (( segid "IL13" and resid 58   and name HB1 ))
      5.000     5.000     0.000 peak  1692 weight  0.10000E+01 volume  0.31700E+00 ppm1      8.688 ppm2      3.944
 OR { 1692}
   (( segid "IL13" and resid 59   and name HN  ))
   (( segid "IL13" and resid 58   and name HB2 ))
 ASSI { 1303}
   (( segid "IL13" and resid 59   and name HN  ))
   (( segid "IL13" and resid 59   and name HA  ))
      3.500     3.500     0.000 peak  1303 weight  0.10000E+01 volume  0.24400E+01 ppm1      8.689 ppm2      4.256
 ASSI { 1246}
   (( segid "IL13" and resid 59   and name HN  ))
   (  segid "IL13" and resid 59   and name HB% )
      3.500     3.500     0.000 peak  1246 weight  0.10000E+01 volume  0.12020E+01 ppm1      8.689 ppm2      1.481
 ASSI { 1693}
   (( segid "IL13" and resid 59   and name HN  ))
   (( segid "IL13" and resid 60   and name HN  ))
      3.500     3.500     0.000 peak  1693 weight  0.10000E+01 volume  0.94800E+00 ppm1      8.688 ppm2      7.054
 ASSI { 2436}
   (( segid "IL13" and resid 59   and name HN  ))
   (( segid "IL13" and resid 61   and name HN  ))
      5.000     5.000     0.000 peak  2436 weight  0.10000E+01 volume  0.33000E+00 ppm1      8.687 ppm2      7.568
 ASSI { 2363}
   (( segid "IL13" and resid 60   and name HN  ))
   (( segid "IL13" and resid 57   and name HB1 ))
      5.000     5.000     0.000 peak  2363 weight  0.10000E+01 volume  0.35400E+00 ppm1      7.051 ppm2      3.169
 ASSI { 2882}
   (( segid "IL13" and resid 60   and name HN  ))
   (( segid "IL13" and resid 57   and name HB2 ))
      5.000     5.000     0.000 peak  2882 weight  0.10000E+01 volume  0.22800E+00 ppm1      7.054 ppm2      3.057
 ASSI { 1752}
   (( segid "IL13" and resid 60   and name HN  ))
   (( segid "IL13" and resid 59   and name HA  ))
      3.500     3.500     0.000 peak  1752 weight  0.10000E+01 volume  0.86600E+00 ppm1      7.055 ppm2      4.232
 ASSI { 1691}
   (( segid "IL13" and resid 60   and name HN  ))
   (( segid "IL13" and resid 60   and name HA  ))
      3.500     3.500     0.000 peak  1691 weight  0.10000E+01 volume  0.95300E+00 ppm1      7.055 ppm2      4.587
 ASSI { 1619}
   (( segid "IL13" and resid 60   and name HN  ))
   (( segid "IL13" and resid 60   and name HB  ))
      3.500     3.500     0.000 peak  1619 weight  0.10000E+01 volume  0.10840E+01 ppm1      7.054 ppm2      2.010
 ASSI { 1282}
   (( segid "IL13" and resid 60   and name HN  ))
   (  segid "IL13" and resid 60   and name HD1%)
      3.500     3.500     0.000 peak  1282 weight  0.10000E+01 volume  0.90000E+00 ppm1      7.055 ppm2      0.965
 ASSI { 1443}
   (( segid "IL13" and resid 60   and name HN  ))
   (( segid "IL13" and resid 60   and name HG12))
      3.500     3.500     0.000 peak  1443 weight  0.10000E+01 volume  0.15590E+01 ppm1      7.055 ppm2      1.391
 ASSI { 1328}
   (( segid "IL13" and resid 60   and name HN  ))
   (( segid "IL13" and resid 61   and name HN  ))
      3.500     3.500     0.000 peak  1328 weight  0.10000E+01 volume  0.22460E+01 ppm1      7.054 ppm2      7.577
 ASSI { 1886}
   (( segid "IL13" and resid 61   and name HN  ))
   (( segid "IL13" and resid 60   and name HA  ))
      3.500     3.500     0.000 peak  1886 weight  0.10000E+01 volume  0.70200E+00 ppm1      7.580 ppm2      4.589
 ASSI { 1830}
   (( segid "IL13" and resid 61   and name HN  ))
   (( segid "IL13" and resid 60   and name HG11))
      3.500     3.500     0.000 peak  1830 weight  0.10000E+01 volume  0.76100E+00 ppm1      7.580 ppm2      1.495
 ASSI { 2082}
   (( segid "IL13" and resid 61   and name HN  ))
   (( segid "IL13" and resid 60   and name HG12))
      5.000     5.000     0.000 peak  2082 weight  0.10000E+01 volume  0.50200E+00 ppm1      7.579 ppm2      1.388
 ASSI { 1252}
   (( segid "IL13" and resid 61   and name HN  ))
   (( segid "IL13" and resid 61   and name HB2 ))
      2.700     2.700     0.000 peak  1252 weight  0.10000E+01 volume  0.34370E+01 ppm1      7.580 ppm2      2.134
 ASSI { 1636}
   (( segid "IL13" and resid 61   and name HN  ))
   (( segid "IL13" and resid 61   and name HG2 ))
      3.500     3.500     0.000 peak  1636 weight  0.10000E+01 volume  0.10510E+01 ppm1      7.582 ppm2      2.271
 ASSI { 1465}
   (( segid "IL13" and resid 61   and name HN  ))
   (( segid "IL13" and resid 62   and name HN  ))
      3.500     3.500     0.000 peak  1465 weight  0.10000E+01 volume  0.14760E+01 ppm1      7.580 ppm2      8.826
 ASSI { 3002}
   (( segid "IL13" and resid 61   and name HN  ))
   (( segid "IL13" and resid 64   and name HN  ))
      5.000     5.000     0.000 peak  3002 weight  0.10000E+01 volume  0.21500E+00 ppm1      7.577 ppm2      8.162
 ASSI { 1631}
   (( segid "IL13" and resid 62   and name HN  ))
   (( segid "IL13" and resid 61   and name HA  ))
      3.500     3.500     0.000 peak  1631 weight  0.10000E+01 volume  0.10560E+01 ppm1      8.825 ppm2      4.175
 ASSI { 1306}
   (( segid "IL13" and resid 62   and name HN  ))
   (( segid "IL13" and resid 61   and name HB2 ))
      3.500     3.500     0.000 peak  1306 weight  0.10000E+01 volume  0.24310E+01 ppm1      8.825 ppm2      2.124
 OR { 1306}
   (( segid "IL13" and resid 62   and name HN  ))
   (( segid "IL13" and resid 61   and name HB1 ))
 ASSI { 2444}
   (( segid "IL13" and resid 62   and name HN  ))
   (( segid "IL13" and resid 61   and name HG1 ))
      5.000     5.000     0.000 peak  2444 weight  0.10000E+01 volume  0.32900E+00 ppm1      8.825 ppm2      2.566
 ASSI { 1247}
   (( segid "IL13" and resid 62   and name HN  ))
   (( segid "IL13" and resid 62   and name HB2 ))
      2.700     2.700     0.000 peak  1247 weight  0.10000E+01 volume  0.35630E+01 ppm1      8.825 ppm2      1.899
 ASSI { 2019}
   (( segid "IL13" and resid 62   and name HN  ))
   (( segid "IL13" and resid 62   and name HD1 ))
      5.000     5.000     0.000 peak  2019 weight  0.10000E+01 volume  0.55700E+00 ppm1      8.826 ppm2      1.692
 OR { 2019}
   (( segid "IL13" and resid 62   and name HN  ))
   (( segid "IL13" and resid 62   and name HD2 ))
 ASSI { 1751}
   (( segid "IL13" and resid 62   and name HN  ))
   (( segid "IL13" and resid 62   and name HG2 ))
      3.500     3.500     0.000 peak  1751 weight  0.10000E+01 volume  0.86700E+00 ppm1      8.827 ppm2      1.511
 OR { 1751}
   (( segid "IL13" and resid 62   and name HN  ))
   (( segid "IL13" and resid 62   and name HG1 ))
 ASSI { 1649}
   (( segid "IL13" and resid 63   and name HN  ))
   (( segid "IL13" and resid 62   and name HB1 ))
      3.500     3.500     0.000 peak  1649 weight  0.10000E+01 volume  0.10350E+01 ppm1      8.697 ppm2      1.962
 ASSI { 1732}
   (( segid "IL13" and resid 63   and name HN  ))
   (( segid "IL13" and resid 63   and name HA  ))
      3.500     3.500     0.000 peak  1732 weight  0.10000E+01 volume  0.88800E+00 ppm1      8.698 ppm2      3.615
 ASSI { 1587}
   (( segid "IL13" and resid 64   and name HN  ))
   (( segid "IL13" and resid 63   and name HN  ))
      3.500     3.500     0.000 peak  1587 weight  0.10000E+01 volume  0.11400E+01 ppm1      8.164 ppm2      8.691
 ASSI { 1358}
   (( segid "IL13" and resid 64   and name HN  ))
   (( segid "IL13" and resid 64   and name HB2 ))
      3.500     3.500     0.000 peak  1358 weight  0.10000E+01 volume  0.20700E+01 ppm1      8.170 ppm2      1.877
 ASSI { 1319}
   (( segid "IL13" and resid 64   and name HN  ))
   (( segid "IL13" and resid 64   and name HG1 ))
      3.500     3.500     0.000 peak  1319 weight  0.10000E+01 volume  0.23270E+01 ppm1      8.169 ppm2      2.610
 ASSI { 2446}
   (( segid "IL13" and resid 64   and name HE22))
   (( segid "IL13" and resid 64   and name HG1 ))
      5.000     5.000     0.000 peak  2446 weight  0.10000E+01 volume  0.32900E+00 ppm1      6.889 ppm2      2.597
 ASSI { 2144}
   (( segid "IL13" and resid 65   and name HN  ))
   (( segid "IL13" and resid 64   and name HA  ))
      5.000     5.000     0.000 peak  2144 weight  0.10000E+01 volume  0.46100E+00 ppm1      8.115 ppm2      3.727
 ASSI { 1607}
   (( segid "IL13" and resid 65   and name HN  ))
   (( segid "IL13" and resid 64   and name HB1 ))
      3.500     3.500     0.000 peak  1607 weight  0.10000E+01 volume  0.11190E+01 ppm1      8.121 ppm2      2.651
 ASSI { 1235}
   (( segid "IL13" and resid 65   and name HN  ))
   (( segid "IL13" and resid 65   and name HA  ))
      2.700     2.700     0.000 peak  1235 weight  0.10000E+01 volume  0.38250E+01 ppm1      8.100 ppm2      4.114
 ASSI { 1868}
   (( segid "IL13" and resid 65   and name HN  ))
   (( segid "IL13" and resid 65   and name HG2 ))
      3.500     3.500     0.000 peak  1868 weight  0.10000E+01 volume  0.72000E+00 ppm1      8.113 ppm2      1.662
 ASSI { 1698}
   (( segid "IL13" and resid 65   and name HN  ))
   (( segid "IL13" and resid 66   and name HN  ))
      3.500     3.500     0.000 peak  1698 weight  0.10000E+01 volume  0.93900E+00 ppm1      8.121 ppm2      9.088
 ASSI { 1468}
   (( segid "IL13" and resid 66   and name HN  ))
   (( segid "IL13" and resid 66   and name HA  ))
      3.500     3.500     0.000 peak  1468 weight  0.10000E+01 volume  0.14660E+01 ppm1      9.093 ppm2      4.096
 ASSI { 1348}
   (( segid "IL13" and resid 66   and name HN  ))
   (( segid "IL13" and resid 66   and name HB2 ))
      3.500     3.500     0.000 peak  1348 weight  0.10000E+01 volume  0.21060E+01 ppm1      9.094 ppm2      2.197
 ASSI { 1683}
   (( segid "IL13" and resid 66   and name HN  ))
   (( segid "IL13" and resid 66   and name HG2 ))
      3.500     3.500     0.000 peak  1683 weight  0.10000E+01 volume  0.96100E+00 ppm1      9.093 ppm2      2.478
 ASSI { 1737}
   (( segid "IL13" and resid 66   and name HN  ))
   (( segid "IL13" and resid 67   and name HN  ))
      3.500     3.500     0.000 peak  1737 weight  0.10000E+01 volume  0.87800E+00 ppm1      9.093 ppm2      8.894
 ASSI { 2375}
   (( segid "IL13" and resid 67   and name HN  ))
   (( segid "IL13" and resid 64   and name HA  ))
      5.000     5.000     0.000 peak  2375 weight  0.10000E+01 volume  0.35100E+00 ppm1      8.896 ppm2      3.724
 ASSI { 1908}
   (( segid "IL13" and resid 67   and name HN  ))
   (( segid "IL13" and resid 66   and name HA  ))
      3.500     3.500     0.000 peak  1908 weight  0.10000E+01 volume  0.67900E+00 ppm1      8.896 ppm2      4.095
 ASSI { 2618}
   (( segid "IL13" and resid 67   and name HN  ))
   (( segid "IL13" and resid 66   and name HG1 ))
      5.000     5.000     0.000 peak  2618 weight  0.10000E+01 volume  0.28000E+00 ppm1      8.899 ppm2      2.964
 ASSI { 2763}
   (( segid "IL13" and resid 67   and name HN  ))
   (( segid "IL13" and resid 66   and name HG2 ))
      5.000     5.000     0.000 peak  2763 weight  0.10000E+01 volume  0.24900E+00 ppm1      8.899 ppm2      2.479
 ASSI { 1695}
   (( segid "IL13" and resid 67   and name HN  ))
   (( segid "IL13" and resid 67   and name HA  ))
      3.500     3.500     0.000 peak  1695 weight  0.10000E+01 volume  0.94400E+00 ppm1      8.895 ppm2      4.226
 ASSI { 1717}
   (( segid "IL13" and resid 67   and name HN  ))
   (( segid "IL13" and resid 67   and name HB2 ))
      3.500     3.500     0.000 peak  1717 weight  0.10000E+01 volume  0.91200E+00 ppm1      8.895 ppm2      1.576
 ASSI { 1505}
   (( segid "IL13" and resid 67   and name HN  ))
   (  segid "IL13" and resid 67   and name HD2%)
      5.000     5.000     0.000 peak  1505 weight  0.10000E+01 volume  0.44400E+00 ppm1      8.896 ppm2      1.072
 ASSI { 1617}
   (( segid "IL13" and resid 67   and name HN  ))
   (( segid "IL13" and resid 68   and name HN  ))
      3.500     3.500     0.000 peak  1617 weight  0.10000E+01 volume  0.10870E+01 ppm1      8.896 ppm2      8.002
 ASSI { 3051}
   (( segid "IL13" and resid 67   and name HN  ))
   (( segid "IL13" and resid 69   and name HN  ))
      5.000     5.000     0.000 peak  3051 weight  0.10000E+01 volume  0.20900E+00 ppm1      8.899 ppm2      7.495
 ASSI { 3010}
   (( segid "IL13" and resid 68   and name HN  ))
   (( segid "IL13" and resid 66   and name HN  ))
      5.000     5.000     0.000 peak  3010 weight  0.10000E+01 volume  0.21400E+00 ppm1      7.999 ppm2      9.085
 ASSI { 1544}
   (( segid "IL13" and resid 68   and name HN  ))
   (( segid "IL13" and resid 67   and name HB1 ))
      3.500     3.500     0.000 peak  1544 weight  0.10000E+01 volume  0.12620E+01 ppm1      7.997 ppm2      2.196
 ASSI { 1800}
   (( segid "IL13" and resid 68   and name HN  ))
   (( segid "IL13" and resid 67   and name HB2 ))
      3.500     3.500     0.000 peak  1800 weight  0.10000E+01 volume  0.80400E+00 ppm1      7.996 ppm2      1.579
 ASSI { 2035}
   (( segid "IL13" and resid 68   and name HN  ))
   (( segid "IL13" and resid 67   and name HG  ))
      5.000     5.000     0.000 peak  2035 weight  0.10000E+01 volume  0.54400E+00 ppm1      7.996 ppm2      2.011
 ASSI { 1243}
   (( segid "IL13" and resid 68   and name HN  ))
   (( segid "IL13" and resid 68   and name HB1 ))
      2.700     2.700     0.000 peak  1243 weight  0.10000E+01 volume  0.36740E+01 ppm1      7.996 ppm2      4.075
 ASSI { 1447}
   (( segid "IL13" and resid 68   and name HN  ))
   (( segid "IL13" and resid 69   and name HN  ))
      3.500     3.500     0.000 peak  1447 weight  0.10000E+01 volume  0.15470E+01 ppm1      7.996 ppm2      7.498
 ASSI { 1599}
   (( segid "IL13" and resid 69   and name HN  ))
   (( segid "IL13" and resid 68   and name HA  ))
      3.500     3.500     0.000 peak  1599 weight  0.10000E+01 volume  0.11280E+01 ppm1      7.503 ppm2      4.262
 ASSI { 1259}
   (( segid "IL13" and resid 69   and name HN  ))
   (( segid "IL13" and resid 69   and name HA2 ))
      2.700     2.700     0.000 peak  1259 weight  0.10000E+01 volume  0.32270E+01 ppm1      7.502 ppm2      3.660
 ASSI { 2496}
   (( segid "IL13" and resid 69   and name HN  ))
   (  segid "IL13" and resid 70   and name HD% )
      5.000     5.000     0.000 peak  2496 weight  0.10000E+01 volume  0.31500E+00 ppm1      7.500 ppm2      6.916
 ASSI { 2895}
   (( segid "IL13" and resid 70   and name HN  ))
   (( segid "IL13" and resid 68   and name HN  ))
      5.000     5.000     0.000 peak  2895 weight  0.10000E+01 volume  0.22700E+00 ppm1      7.495 ppm2      7.998
 ASSI { 1639}
   (( segid "IL13" and resid 70   and name HN  ))
   (  segid "IL13" and resid 70   and name HD% )
      3.500     3.500     0.000 peak  1639 weight  0.10000E+01 volume  0.10490E+01 ppm1      7.490 ppm2      6.920
 ASSI { 2737}
   (( segid "IL13" and resid 71   and name HN  ))
   (( segid "IL13" and resid 69   and name HA1 ))
      5.000     5.000     0.000 peak  2737 weight  0.10000E+01 volume  0.25500E+00 ppm1      7.510 ppm2      4.016
 ASSI { 2726}
   (( segid "IL13" and resid 71   and name HN  ))
   (( segid "IL13" and resid 69   and name HA2 ))
      5.000     5.000     0.000 peak  2726 weight  0.10000E+01 volume  0.25700E+00 ppm1      7.505 ppm2      3.661
 ASSI { 1586}
   (( segid "IL13" and resid 71   and name HN  ))
   (( segid "IL13" and resid 70   and name HA  ))
      3.500     3.500     0.000 peak  1586 weight  0.10000E+01 volume  0.11440E+01 ppm1      7.509 ppm2      4.274
 ASSI { 1814}
   (( segid "IL13" and resid 71   and name HN  ))
   (( segid "IL13" and resid 70   and name HB2 ))
      3.500     3.500     0.000 peak  1814 weight  0.10000E+01 volume  0.78600E+00 ppm1      7.507 ppm2      2.618
 ASSI { 2614}
   (( segid "IL13" and resid 71   and name HN  ))
   (  segid "IL13" and resid 70   and name HD% )
      5.000     5.000     0.000 peak  2614 weight  0.10000E+01 volume  0.28100E+00 ppm1      7.509 ppm2      6.926
 ASSI { 1669}
   (( segid "IL13" and resid 71   and name HN  ))
   (( segid "IL13" and resid 71   and name HA  ))
      3.500     3.500     0.000 peak  1669 weight  0.10000E+01 volume  0.99400E+00 ppm1      7.509 ppm2      5.214
 ASSI { 2660}
   (( segid "IL13" and resid 73   and name HN  ))
   (( segid "IL13" and resid 71   and name HA  ))
      5.000     5.000     0.000 peak  2660 weight  0.10000E+01 volume  0.26900E+00 ppm1      7.444 ppm2      5.210
 ASSI { 1804}
   (( segid "IL13" and resid 73   and name HN  ))
   (( segid "IL13" and resid 72   and name HA  ))
      3.500     3.500     0.000 peak  1804 weight  0.10000E+01 volume  0.80000E+00 ppm1      7.444 ppm2      4.565
 ASSI { 2933}
   (( segid "IL13" and resid 73   and name HN  ))
   (( segid "IL13" and resid 72   and name HB1 ))
      5.000     5.000     0.000 peak  2933 weight  0.10000E+01 volume  0.22200E+00 ppm1      7.446 ppm2      2.234
 ASSI { 2155}
   (( segid "IL13" and resid 73   and name HN  ))
   (( segid "IL13" and resid 72   and name HB2 ))
      5.000     5.000     0.000 peak  2155 weight  0.10000E+01 volume  0.45400E+00 ppm1      7.442 ppm2      2.063
 ASSI { 2187}
   (( segid "IL13" and resid 73   and name HN  ))
   (( segid "IL13" and resid 72   and name HD2 ))
      5.000     5.000     0.000 peak  2187 weight  0.10000E+01 volume  0.43900E+00 ppm1      7.447 ppm2      3.787
 ASSI { 2520}
   (( segid "IL13" and resid 73   and name HN  ))
   (( segid "IL13" and resid 72   and name HG2 ))
      5.000     5.000     0.000 peak  2520 weight  0.10000E+01 volume  0.30700E+00 ppm1      7.447 ppm2      1.834
 ASSI { 2411}
   (( segid "IL13" and resid 73   and name HN  ))
   (( segid "IL13" and resid 74   and name HN  ))
      5.000     5.000     0.000 peak  2411 weight  0.10000E+01 volume  0.33900E+00 ppm1      7.440 ppm2      8.588
 ASSI { 1404}
   (( segid "IL13" and resid 74   and name HN  ))
   (( segid "IL13" and resid 73   and name HB2 ))
      3.500     3.500     0.000 peak  1404 weight  0.10000E+01 volume  0.17290E+01 ppm1      8.577 ppm2      3.186
 ASSI { 1620}
   (( segid "IL13" and resid 74   and name HN  ))
   (( segid "IL13" and resid 74   and name HA  ))
      3.500     3.500     0.000 peak  1620 weight  0.10000E+01 volume  0.10820E+01 ppm1      8.577 ppm2      4.340
 ASSI { 1276}
   (( segid "IL13" and resid 74   and name HN  ))
   (( segid "IL13" and resid 74   and name HB2 ))
      3.500     3.500     0.000 peak  1276 weight  0.10000E+01 volume  0.27860E+01 ppm1      8.577 ppm2      1.816
 ASSI { 3251}
   (( segid "IL13" and resid 74   and name HN  ))
   (( segid "IL13" and resid 74   and name HD1 ))
      5.000     5.000     0.000 peak  3251 weight  0.10000E+01 volume  0.18900E+00 ppm1      8.574 ppm2      1.695
 ASSI { 2036}
   (( segid "IL13" and resid 74   and name HN  ))
   (( segid "IL13" and resid 74   and name HG1 ))
      5.000     5.000     0.000 peak  2036 weight  0.10000E+01 volume  0.54400E+00 ppm1      8.578 ppm2      1.467
 ASSI { 1211}
   (( segid "IL13" and resid 75   and name HN  ))
   (( segid "IL13" and resid 74   and name HA  ))
      2.700     2.700     0.000 peak  1211 weight  0.10000E+01 volume  0.56520E+01 ppm1      8.611 ppm2      4.342
 ASSI { 1541}
   (( segid "IL13" and resid 75   and name HN  ))
   (( segid "IL13" and resid 74   and name HB1 ))
      3.500     3.500     0.000 peak  1541 weight  0.10000E+01 volume  0.12640E+01 ppm1      8.610 ppm2      1.816
 OR { 1541}
   (( segid "IL13" and resid 75   and name HN  ))
   (( segid "IL13" and resid 74   and name HB2 ))
 ASSI { 2838}
   (( segid "IL13" and resid 75   and name HN  ))
   (( segid "IL13" and resid 74   and name HD2 ))
      5.000     5.000     0.000 peak  2838 weight  0.10000E+01 volume  0.23600E+00 ppm1      8.611 ppm2      1.696
 ASSI { 2071}
   (( segid "IL13" and resid 75   and name HN  ))
   (( segid "IL13" and resid 74   and name HG2 ))
      5.000     5.000     0.000 peak  2071 weight  0.10000E+01 volume  0.50800E+00 ppm1      8.613 ppm2      1.437
 ASSI { 1204}
   (( segid "IL13" and resid 76   and name HN  ))
   (( segid "IL13" and resid 75   and name HA  ))
      2.700     2.700     0.000 peak  1204 weight  0.10000E+01 volume  0.64910E+01 ppm1      8.436 ppm2      4.427
 ASSI { 1482}
   (( segid "IL13" and resid 76   and name HN  ))
   (( segid "IL13" and resid 75   and name HN  ))
      3.500     3.500     0.000 peak  1482 weight  0.10000E+01 volume  0.14270E+01 ppm1      8.439 ppm2      8.602
 ASSI { 1489}
   (( segid "IL13" and resid 76   and name HN  ))
   (( segid "IL13" and resid 76   and name HA  ))
      3.500     3.500     0.000 peak  1489 weight  0.10000E+01 volume  0.13960E+01 ppm1      8.436 ppm2      4.639
 ASSI { 1588}
   (( segid "IL13" and resid 76   and name HN  ))
   (( segid "IL13" and resid 76   and name HB1 ))
      3.500     3.500     0.000 peak  1588 weight  0.10000E+01 volume  0.11400E+01 ppm1      8.436 ppm2      3.822
 ASSI { 1858}
   (( segid "IL13" and resid 76   and name HN  ))
   (( segid "IL13" and resid 77   and name HN  ))
      3.500     3.500     0.000 peak  1858 weight  0.10000E+01 volume  0.73600E+00 ppm1      8.437 ppm2      8.670
 ASSI { 1212}
   (( segid "IL13" and resid 77   and name HN  ))
   (( segid "IL13" and resid 76   and name HA  ))
      2.700     2.700     0.000 peak  1212 weight  0.10000E+01 volume  0.55300E+01 ppm1      8.683 ppm2      4.646
 ASSI { 1554}
   (( segid "IL13" and resid 77   and name HN  ))
   (( segid "IL13" and resid 76   and name HB1 ))
      3.500     3.500     0.000 peak  1554 weight  0.10000E+01 volume  0.12280E+01 ppm1      8.683 ppm2      3.817
 ASSI { 1750}
   (( segid "IL13" and resid 77   and name HN  ))
   (( segid "IL13" and resid 76   and name HB2 ))
      3.500     3.500     0.000 peak  1750 weight  0.10000E+01 volume  0.86800E+00 ppm1      8.684 ppm2      3.685
 ASSI { 1220}
   (( segid "IL13" and resid 77   and name HN  ))
   (  segid "IL13" and resid 77   and name HB% )
      3.500     3.500     0.000 peak  1220 weight  0.10000E+01 volume  0.15890E+01 ppm1      8.683 ppm2      1.374
 ASSI { 1226}
   (( segid "IL13" and resid 78   and name HN  ))
   (( segid "IL13" and resid 78   and name HA1 ))
      2.700     2.700     0.000 peak  1226 weight  0.10000E+01 volume  0.43220E+01 ppm1      8.716 ppm2      4.103
 ASSI { 1768}
   (( segid "IL13" and resid 78   and name HN  ))
   (( segid "IL13" and resid 79   and name HN  ))
      3.500     3.500     0.000 peak  1768 weight  0.10000E+01 volume  0.83600E+00 ppm1      8.716 ppm2      7.796
 ASSI { 1527}
   (( segid "IL13" and resid 79   and name HN  ))
   (( segid "IL13" and resid 78   and name HA1 ))
      3.500     3.500     0.000 peak  1527 weight  0.10000E+01 volume  0.12950E+01 ppm1      7.802 ppm2      4.115
 ASSI { 1775}
   (( segid "IL13" and resid 79   and name HN  ))
   (( segid "IL13" and resid 78   and name HA2 ))
      3.500     3.500     0.000 peak  1775 weight  0.10000E+01 volume  0.82700E+00 ppm1      7.799 ppm2      3.756
 ASSI { 1283}
   (( segid "IL13" and resid 79   and name HN  ))
   (( segid "IL13" and resid 79   and name HB2 ))
      3.500     3.500     0.000 peak  1283 weight  0.10000E+01 volume  0.26930E+01 ppm1      7.803 ppm2      1.943
 OR { 1283}
   (( segid "IL13" and resid 79   and name HN  ))
   (( segid "IL13" and resid 79   and name HB1 ))
 ASSI { 2063}
   (( segid "IL13" and resid 79   and name HN  ))
   (( segid "IL13" and resid 79   and name HG1 ))
      5.000     5.000     0.000 peak  2063 weight  0.10000E+01 volume  0.52400E+00 ppm1      7.803 ppm2      2.185
 ASSI { 2031}
   (( segid "IL13" and resid 79   and name HN  ))
   (( segid "IL13" and resid 79   and name HG2 ))
      5.000     5.000     0.000 peak  2031 weight  0.10000E+01 volume  0.54700E+00 ppm1      7.805 ppm2      2.092
 ASSI { 1954}
   (( segid "IL13" and resid 79   and name HN  ))
   (( segid "IL13" and resid 80   and name HN  ))
      5.000     5.000     0.000 peak  1954 weight  0.10000E+01 volume  0.61700E+00 ppm1      7.803 ppm2      8.460
 ASSI { 2812}
   (( segid "IL13" and resid 79   and name HE21))
   (( segid "IL13" and resid 79   and name HB1 ))
      5.000     5.000     0.000 peak  2812 weight  0.10000E+01 volume  0.24000E+00 ppm1      7.477 ppm2      1.941
 ASSI { 1981}
   (( segid "IL13" and resid 79   and name HE21))
   (( segid "IL13" and resid 79   and name HG1 ))
      5.000     5.000     0.000 peak  1981 weight  0.10000E+01 volume  0.58900E+00 ppm1      7.477 ppm2      2.179
 ASSI { 2212}
   (( segid "IL13" and resid 79   and name HE22))
   (( segid "IL13" and resid 79   and name HG1 ))
      5.000     5.000     0.000 peak  2212 weight  0.10000E+01 volume  0.42500E+00 ppm1      6.845 ppm2      2.179
 ASSI { 1914}
   (( segid "IL13" and resid 79   and name HE21))
   (( segid "IL13" and resid 79   and name HG2 ))
      3.500     3.500     0.000 peak  1914 weight  0.10000E+01 volume  0.66700E+00 ppm1      7.477 ppm2      2.081
 ASSI { 2201}
   (( segid "IL13" and resid 79   and name HE22))
   (( segid "IL13" and resid 79   and name HG2 ))
      5.000     5.000     0.000 peak  2201 weight  0.10000E+01 volume  0.43100E+00 ppm1      6.843 ppm2      2.100
 ASSI { 1240}
   (( segid "IL13" and resid 80   and name HN  ))
   (( segid "IL13" and resid 79   and name HA  ))
      2.700     2.700     0.000 peak  1240 weight  0.10000E+01 volume  0.37450E+01 ppm1      8.457 ppm2      4.308
 ASSI { 1746}
   (( segid "IL13" and resid 80   and name HN  ))
   (( segid "IL13" and resid 80   and name HB1 ))
      3.500     3.500     0.000 peak  1746 weight  0.10000E+01 volume  0.87200E+00 ppm1      8.456 ppm2      3.189
 ASSI { 1784}
   (( segid "IL13" and resid 80   and name HN  ))
   (  segid "IL13" and resid 80   and name HD% )
      3.500     3.500     0.000 peak  1784 weight  0.10000E+01 volume  0.81400E+00 ppm1      8.458 ppm2      7.238
 ASSI { 1610}
   (( segid "IL13" and resid 83   and name HN  ))
   (( segid "IL13" and resid 82   and name HA  ))
      3.500     3.500     0.000 peak  1610 weight  0.10000E+01 volume  0.11100E+01 ppm1      8.091 ppm2      4.378
 ASSI { 1678}
   (( segid "IL13" and resid 83   and name HN  ))
   (( segid "IL13" and resid 83   and name HA  ))
      3.500     3.500     0.000 peak  1678 weight  0.10000E+01 volume  0.97000E+00 ppm1      8.093 ppm2      4.217
 ASSI { 2413}
   (( segid "IL13" and resid 83   and name HN  ))
   (  segid "IL13" and resid 83   and name HD1%)
      5.000     5.000     0.000 peak  2413 weight  0.10000E+01 volume  0.11200E+00 ppm1      8.091 ppm2      0.859
 ASSI { 1690}
   (( segid "IL13" and resid 84   and name HN  ))
   (( segid "IL13" and resid 83   and name HA  ))
      3.500     3.500     0.000 peak  1690 weight  0.10000E+01 volume  0.95600E+00 ppm1      7.903 ppm2      4.218
 ASSI { 2387}
   (( segid "IL13" and resid 84   and name HN  ))
   (( segid "IL13" and resid 83   and name HN  ))
      5.000     5.000     0.000 peak  2387 weight  0.10000E+01 volume  0.34500E+00 ppm1      7.907 ppm2      8.091
 ASSI { 1881}
   (( segid "IL13" and resid 84   and name HN  ))
   (( segid "IL13" and resid 84   and name HA  ))
      3.500     3.500     0.000 peak  1881 weight  0.10000E+01 volume  0.71000E+00 ppm1      7.904 ppm2      4.515
 ASSI { 2214}
   (( segid "IL13" and resid 84   and name HN  ))
   (( segid "IL13" and resid 84   and name HB2 ))
      5.000     5.000     0.000 peak  2214 weight  0.10000E+01 volume  0.42400E+00 ppm1      7.907 ppm2      2.743
 ASSI { 2757}
   (( segid "IL13" and resid 85   and name HN  ))
   (( segid "IL13" and resid 83   and name HA  ))
      5.000     5.000     0.000 peak  2757 weight  0.10000E+01 volume  0.25000E+00 ppm1      7.672 ppm2      4.232
 ASSI { 1386}
   (( segid "IL13" and resid 85   and name HN  ))
   (( segid "IL13" and resid 84   and name HA  ))
      3.500     3.500     0.000 peak  1386 weight  0.10000E+01 volume  0.18330E+01 ppm1      7.670 ppm2      4.517
 ASSI { 1879}
   (( segid "IL13" and resid 85   and name HN  ))
   (( segid "IL13" and resid 84   and name HN  ))
      3.500     3.500     0.000 peak  1879 weight  0.10000E+01 volume  0.71000E+00 ppm1      7.668 ppm2      7.914
 ASSI { 1529}
   (( segid "IL13" and resid 85   and name HN  ))
   (( segid "IL13" and resid 85   and name HA  ))
      3.500     3.500     0.000 peak  1529 weight  0.10000E+01 volume  0.12900E+01 ppm1      7.670 ppm2      3.920
 ASSI { 1424}
   (( segid "IL13" and resid 85   and name HN  ))
   (( segid "IL13" and resid 85   and name HB  ))
      3.500     3.500     0.000 peak  1424 weight  0.10000E+01 volume  0.16480E+01 ppm1      7.668 ppm2      2.008
 ASSI { 1290}
   (( segid "IL13" and resid 85   and name HN  ))
   (  segid "IL13" and resid 85   and name HG1%)
      3.500     3.500     0.000 peak  1290 weight  0.10000E+01 volume  0.86500E+00 ppm1      7.668 ppm2      0.879
 ASSI { 1913}
   (( segid "IL13" and resid 85   and name HN  ))
   (( segid "IL13" and resid 86   and name HN  ))
      3.500     3.500     0.000 peak  1913 weight  0.10000E+01 volume  0.66700E+00 ppm1      7.668 ppm2      8.335
 ASSI { 1697}
   (( segid "IL13" and resid 86   and name HN  ))
   (( segid "IL13" and resid 86   and name HA  ))
      3.500     3.500     0.000 peak  1697 weight  0.10000E+01 volume  0.93900E+00 ppm1      8.333 ppm2      4.246
 ASSI { 1946}
   (( segid "IL13" and resid 86   and name HN  ))
   (( segid "IL13" and resid 87   and name HN  ))
      5.000     5.000     0.000 peak  1946 weight  0.10000E+01 volume  0.62900E+00 ppm1      8.337 ppm2      7.986
 ASSI { 1601}
   (( segid "IL13" and resid 87   and name HN  ))
   (( segid "IL13" and resid 87   and name HB2 ))
      3.500     3.500     0.000 peak  1601 weight  0.10000E+01 volume  0.11260E+01 ppm1      7.979 ppm2      2.676
 ASSI { 1547}
   (( segid "IL13" and resid 87   and name HN  ))
   (( segid "IL13" and resid 88   and name HN  ))
      3.500     3.500     0.000 peak  1547 weight  0.10000E+01 volume  0.12510E+01 ppm1      7.979 ppm2      8.372
 ASSI { 1740}
   (( segid "IL13" and resid 88   and name HN  ))
   (  segid "IL13" and resid 88   and name HG2%)
      5.000     5.000     0.000 peak  1740 weight  0.10000E+01 volume  0.29200E+00 ppm1      8.402 ppm2      1.248
 ASSI { 1221}
   (( segid "IL13" and resid 89   and name HN  ))
   (( segid "IL13" and resid 88   and name HA  ))
      2.700     2.700     0.000 peak  1221 weight  0.10000E+01 volume  0.47050E+01 ppm1      8.520 ppm2      4.618
 ASSI { 1578}
   (( segid "IL13" and resid 89   and name HN  ))
   (( segid "IL13" and resid 88   and name HB  ))
      3.500     3.500     0.000 peak  1578 weight  0.10000E+01 volume  0.11560E+01 ppm1      8.520 ppm2      4.160
 ASSI { 1642}
   (( segid "IL13" and resid 89   and name HN  ))
   (( segid "IL13" and resid 89   and name HA  ))
      3.500     3.500     0.000 peak  1642 weight  0.10000E+01 volume  0.10460E+01 ppm1      8.520 ppm2      4.856
 ASSI { 1313}
   (( segid "IL13" and resid 89   and name HN  ))
   (( segid "IL13" and resid 89   and name HB2 ))
      3.500     3.500     0.000 peak  1313 weight  0.10000E+01 volume  0.23880E+01 ppm1      8.520 ppm2      1.249
 ASSI { 2037}
   (( segid "IL13" and resid 89   and name HN  ))
   (( segid "IL13" and resid 89   and name HD1 ))
      5.000     5.000     0.000 peak  2037 weight  0.10000E+01 volume  0.54300E+00 ppm1      8.520 ppm2      0.990
 ASSI { 1543}
   (( segid "IL13" and resid 89   and name HN  ))
   (( segid "IL13" and resid 89   and name HD2 ))
      3.500     3.500     0.000 peak  1543 weight  0.10000E+01 volume  0.12620E+01 ppm1      8.521 ppm2      0.836
 ASSI { 2426}
   (( segid "IL13" and resid 89   and name HN  ))
   (( segid "IL13" and resid 90   and name HN  ))
      5.000     5.000     0.000 peak  2426 weight  0.10000E+01 volume  0.33300E+00 ppm1      8.523 ppm2      9.258
 ASSI { 2980}
   (( segid "IL13" and resid 90   and name HN  ))
   (( segid "IL13" and resid 33   and name HA  ))
      5.000     5.000     0.000 peak  2980 weight  0.10000E+01 volume  0.21700E+00 ppm1      9.256 ppm2      5.072
 ASSI { 2925}
   (( segid "IL13" and resid 90   and name HN  ))
   (( segid "IL13" and resid 36   and name HN  ))
      5.000     5.000     0.000 peak  2925 weight  0.10000E+01 volume  0.22400E+00 ppm1      9.260 ppm2      8.777
 ASSI { 1828}
   (( segid "IL13" and resid 90   and name HN  ))
   (( segid "IL13" and resid 90   and name HA  ))
      3.500     3.500     0.000 peak  1828 weight  0.10000E+01 volume  0.76500E+00 ppm1      9.253 ppm2      4.690
 ASSI { 2021}
   (( segid "IL13" and resid 90   and name HN  ))
   (( segid "IL13" and resid 90   and name HB  ))
      5.000     5.000     0.000 peak  2021 weight  0.10000E+01 volume  0.55500E+00 ppm1      9.254 ppm2      1.919
 ASSI { 1568}
   (( segid "IL13" and resid 90   and name HN  ))
   (( segid "IL13" and resid 90   and name HG11))
      3.500     3.500     0.000 peak  1568 weight  0.10000E+01 volume  0.11960E+01 ppm1      9.256 ppm2      1.470
 ASSI { 1480}
   (( segid "IL13" and resid 90   and name HN  ))
   (( segid "IL13" and resid 90   and name HG12))
      3.500     3.500     0.000 peak  1480 weight  0.10000E+01 volume  0.14320E+01 ppm1      9.254 ppm2      1.221
 ASSI { 1257}
   (( segid "IL13" and resid 91   and name HN  ))
   (( segid "IL13" and resid 90   and name HA  ))
      2.700     2.700     0.000 peak  1257 weight  0.10000E+01 volume  0.32990E+01 ppm1      8.870 ppm2      4.688
 ASSI { 1441}
   (( segid "IL13" and resid 91   and name HN  ))
   (  segid "IL13" and resid 90   and name HD1%)
      5.000     5.000     0.000 peak  1441 weight  0.10000E+01 volume  0.52200E+00 ppm1      8.870 ppm2      0.956
 ASSI { 1992}
   (( segid "IL13" and resid 91   and name HN  ))
   (( segid "IL13" and resid 90   and name HG11))
      5.000     5.000     0.000 peak  1992 weight  0.10000E+01 volume  0.57500E+00 ppm1      8.869 ppm2      1.467
 ASSI { 2146}
   (( segid "IL13" and resid 91   and name HN  ))
   (( segid "IL13" and resid 90   and name HG12))
      5.000     5.000     0.000 peak  2146 weight  0.10000E+01 volume  0.46000E+00 ppm1      8.870 ppm2      1.208
 ASSI { 2491}
   (( segid "IL13" and resid 91   and name HN  ))
   (( segid "IL13" and resid 90   and name HN  ))
      5.000     5.000     0.000 peak  2491 weight  0.10000E+01 volume  0.31600E+00 ppm1      8.868 ppm2      9.246
 ASSI { 1694}
   (( segid "IL13" and resid 91   and name HN  ))
   (( segid "IL13" and resid 91   and name HA  ))
      3.500     3.500     0.000 peak  1694 weight  0.10000E+01 volume  0.94600E+00 ppm1      8.869 ppm2      4.545
 ASSI { 1444}
   (( segid "IL13" and resid 91   and name HN  ))
   (( segid "IL13" and resid 91   and name HB1 ))
      3.500     3.500     0.000 peak  1444 weight  0.10000E+01 volume  0.15540E+01 ppm1      8.869 ppm2      2.335
 ASSI { 1397}
   (( segid "IL13" and resid 91   and name HN  ))
   (( segid "IL13" and resid 91   and name HB2 ))
      3.500     3.500     0.000 peak  1397 weight  0.10000E+01 volume  0.17820E+01 ppm1      8.869 ppm2      2.061
 ASSI { 2341}
   (( segid "IL13" and resid 91   and name HN  ))
   (( segid "IL13" and resid 92   and name HN  ))
      5.000     5.000     0.000 peak  2341 weight  0.10000E+01 volume  0.36000E+00 ppm1      8.869 ppm2      8.601
 ASSI { 2692}
   (( segid "IL13" and resid 91   and name HN  ))
   (( segid "IL13" and resid 94   and name HN  ))
      5.000     5.000     0.000 peak  2692 weight  0.10000E+01 volume  0.26400E+00 ppm1      8.867 ppm2      7.014
 ASSI { 2067}
   (( segid "IL13" and resid 92   and name HN  ))
   (( segid "IL13" and resid 91   and name HB2 ))
      5.000     5.000     0.000 peak  2067 weight  0.10000E+01 volume  0.51900E+00 ppm1      8.618 ppm2      2.059
 ASSI { 1472}
   (( segid "IL13" and resid 92   and name HN  ))
   (( segid "IL13" and resid 92   and name HB  ))
      3.500     3.500     0.000 peak  1472 weight  0.10000E+01 volume  0.14550E+01 ppm1      8.617 ppm2      1.929
 ASSI { 1359}
   (( segid "IL13" and resid 92   and name HN  ))
   (  segid "IL13" and resid 92   and name HG2%)
      3.500     3.500     0.000 peak  1359 weight  0.10000E+01 volume  0.68900E+00 ppm1      8.617 ppm2      0.877
 ASSI { 2016}
   (( segid "IL13" and resid 92   and name HN  ))
   (( segid "IL13" and resid 93   and name HN  ))
      5.000     5.000     0.000 peak  2016 weight  0.10000E+01 volume  0.56100E+00 ppm1      8.617 ppm2      9.426
 ASSI { 3413}
   (( segid "IL13" and resid 92   and name HN  ))
   (( segid "IL13" and resid 94   and name HN  ))
      5.000     5.000     0.000 peak  3413 weight  0.10000E+01 volume  0.17600E+00 ppm1      8.616 ppm2      6.974
 ASSI { 1875}
   (( segid "IL13" and resid 93   and name HN  ))
   (( segid "IL13" and resid 91   and name HB1 ))
      3.500     3.500     0.000 peak  1875 weight  0.10000E+01 volume  0.71300E+00 ppm1      9.425 ppm2      2.327
 ASSI { 2211}
   (( segid "IL13" and resid 93   and name HN  ))
   (( segid "IL13" and resid 91   and name HB2 ))
      5.000     5.000     0.000 peak  2211 weight  0.10000E+01 volume  0.42600E+00 ppm1      9.426 ppm2      2.054
 ASSI { 2652}
   (( segid "IL13" and resid 93   and name HN  ))
   (( segid "IL13" and resid 92   and name HA  ))
      5.000     5.000     0.000 peak  2652 weight  0.10000E+01 volume  0.27100E+00 ppm1      9.424 ppm2      3.630
 ASSI { 1848}
   (( segid "IL13" and resid 93   and name HN  ))
   (( segid "IL13" and resid 92   and name HB  ))
      3.500     3.500     0.000 peak  1848 weight  0.10000E+01 volume  0.74600E+00 ppm1      9.426 ppm2      1.930
 ASSI { 1904}
   (( segid "IL13" and resid 93   and name HN  ))
   (( segid "IL13" and resid 94   and name HN  ))
      3.500     3.500     0.000 peak  1904 weight  0.10000E+01 volume  0.68600E+00 ppm1      9.426 ppm2      6.997
 ASSI { 2492}
   (( segid "IL13" and resid 94   and name HN  ))
   (( segid "IL13" and resid 92   and name HA  ))
      5.000     5.000     0.000 peak  2492 weight  0.10000E+01 volume  0.31600E+00 ppm1      7.000 ppm2      3.625
 ASSI { 1483}
   (( segid "IL13" and resid 94   and name HN  ))
   (( segid "IL13" and resid 94   and name HG2 ))
      3.500     3.500     0.000 peak  1483 weight  0.10000E+01 volume  0.14240E+01 ppm1      6.997 ppm2      2.478
 OR { 1483}
   (( segid "IL13" and resid 94   and name HN  ))
   (( segid "IL13" and resid 94   and name HG1 ))
 ASSI { 2422}
   (( segid "IL13" and resid 94   and name HN  ))
   (( segid "IL13" and resid 95   and name HB1 ))
      5.000     5.000     0.000 peak  2422 weight  0.10000E+01 volume  0.33400E+00 ppm1      6.997 ppm2      3.435
 ASSI { 2370}
   (( segid "IL13" and resid 94   and name HN  ))
   (( segid "IL13" and resid 95   and name HB2 ))
      5.000     5.000     0.000 peak  2370 weight  0.10000E+01 volume  0.35200E+00 ppm1      6.996 ppm2      2.795
 ASSI { 1415}
   (( segid "IL13" and resid 94   and name HN  ))
   (( segid "IL13" and resid 95   and name HN  ))
      3.500     3.500     0.000 peak  1415 weight  0.10000E+01 volume  0.16870E+01 ppm1      6.996 ppm2      8.228
 ASSI { 3239}
   (( segid "IL13" and resid 94   and name HE21))
   (( segid "IL13" and resid 94   and name HB1 ))
      5.000     5.000     0.000 peak  3239 weight  0.10000E+01 volume  0.18900E+00 ppm1      8.042 ppm2      2.328
 ASSI { 1149}
   (( segid "IL13" and resid 94   and name HE22))
   (( segid "IL13" and resid 94   and name HE21))
      2.700     2.700     0.000 peak  1149 weight  0.10000E+01 volume  0.13601E+02 ppm1      6.940 ppm2      8.047
 ASSI { 2265}
   (( segid "IL13" and resid 94   and name HE22))
   (( segid "IL13" and resid 97   and name HD2 ))
      5.000     5.000     0.000 peak  2265 weight  0.10000E+01 volume  0.39200E+00 ppm1      6.940 ppm2      1.717
 OR { 2265}
   (( segid "IL13" and resid 94   and name HE22))
   (( segid "IL13" and resid 97   and name HD1 ))
 ASSI { 1410}
   (( segid "IL13" and resid 95   and name HN  ))
   (( segid "IL13" and resid 94   and name HA  ))
      3.500     3.500     0.000 peak  1410 weight  0.10000E+01 volume  0.17060E+01 ppm1      8.240 ppm2      4.010
 ASSI { 1757}
   (( segid "IL13" and resid 95   and name HN  ))
   (( segid "IL13" and resid 94   and name HB2 ))
      3.500     3.500     0.000 peak  1757 weight  0.10000E+01 volume  0.85200E+00 ppm1      8.240 ppm2      2.205
 ASSI { 2072}
   (( segid "IL13" and resid 95   and name HN  ))
   (( segid "IL13" and resid 94   and name HG2 ))
      5.000     5.000     0.000 peak  2072 weight  0.10000E+01 volume  0.50800E+00 ppm1      8.240 ppm2      2.482
 OR { 2072}
   (( segid "IL13" and resid 95   and name HN  ))
   (( segid "IL13" and resid 94   and name HG1 ))
 ASSI { 1559}
   (( segid "IL13" and resid 95   and name HN  ))
   (( segid "IL13" and resid 95   and name HB1 ))
      3.500     3.500     0.000 peak  1559 weight  0.10000E+01 volume  0.12140E+01 ppm1      8.240 ppm2      3.434
 ASSI { 1524}
   (( segid "IL13" and resid 95   and name HN  ))
   (( segid "IL13" and resid 95   and name HB2 ))
      3.500     3.500     0.000 peak  1524 weight  0.10000E+01 volume  0.13010E+01 ppm1      8.241 ppm2      2.802
 ASSI { 1799}
   (( segid "IL13" and resid 95   and name HN  ))
   (( segid "IL13" and resid 96   and name HN  ))
      3.500     3.500     0.000 peak  1799 weight  0.10000E+01 volume  0.80400E+00 ppm1      8.241 ppm2      8.903
 ASSI { 1781}
   (( segid "IL13" and resid 96   and name HN  ))
   (( segid "IL13" and resid 95   and name HA  ))
      3.500     3.500     0.000 peak  1781 weight  0.10000E+01 volume  0.81800E+00 ppm1      8.907 ppm2      4.003
 ASSI { 1777}
   (( segid "IL13" and resid 96   and name HN  ))
   (( segid "IL13" and resid 95   and name HB1 ))
      3.500     3.500     0.000 peak  1777 weight  0.10000E+01 volume  0.82400E+00 ppm1      8.907 ppm2      3.432
 ASSI { 1976}
   (( segid "IL13" and resid 96   and name HN  ))
   (( segid "IL13" and resid 95   and name HB2 ))
      5.000     5.000     0.000 peak  1976 weight  0.10000E+01 volume  0.59600E+00 ppm1      8.908 ppm2      2.806
 ASSI { 2060}
   (( segid "IL13" and resid 96   and name HN  ))
   (  segid "IL13" and resid 95   and name HD% )
      5.000     5.000     0.000 peak  2060 weight  0.10000E+01 volume  0.52600E+00 ppm1      8.909 ppm2      7.101
 ASSI { 1370}
   (( segid "IL13" and resid 96   and name HN  ))
   (  segid "IL13" and resid 96   and name HG2%)
      3.500     3.500     0.000 peak  1370 weight  0.10000E+01 volume  0.66900E+00 ppm1      8.908 ppm2      1.115
 ASSI { 1782}
   (( segid "IL13" and resid 96   and name HN  ))
   (( segid "IL13" and resid 97   and name HN  ))
      3.500     3.500     0.000 peak  1782 weight  0.10000E+01 volume  0.81800E+00 ppm1      8.909 ppm2      7.708
 ASSI { 2745}
   (( segid "IL13" and resid 97   and name HN  ))
   (( segid "IL13" and resid 95   and name HN  ))
      5.000     5.000     0.000 peak  2745 weight  0.10000E+01 volume  0.25300E+00 ppm1      7.716 ppm2      8.224
 ASSI { 2505}
   (( segid "IL13" and resid 97   and name HN  ))
   (( segid "IL13" and resid 96   and name HA  ))
      5.000     5.000     0.000 peak  2505 weight  0.10000E+01 volume  0.31300E+00 ppm1      7.711 ppm2      3.651
 ASSI { 1741}
   (( segid "IL13" and resid 97   and name HN  ))
   (( segid "IL13" and resid 96   and name HB  ))
      3.500     3.500     0.000 peak  1741 weight  0.10000E+01 volume  0.87500E+00 ppm1      7.713 ppm2      2.178
 ASSI { 1474}
   (( segid "IL13" and resid 97   and name HN  ))
   (( segid "IL13" and resid 97   and name HA  ))
      3.500     3.500     0.000 peak  1474 weight  0.10000E+01 volume  0.14500E+01 ppm1      7.714 ppm2      3.961
 ASSI { 1277}
   (( segid "IL13" and resid 97   and name HN  ))
   (( segid "IL13" and resid 97   and name HB2 ))
      3.500     3.500     0.000 peak  1277 weight  0.10000E+01 volume  0.27730E+01 ppm1      7.713 ppm2      1.988
 ASSI { 1634}
   (( segid "IL13" and resid 97   and name HN  ))
   (( segid "IL13" and resid 97   and name HD1 ))
      3.500     3.500     0.000 peak  1634 weight  0.10000E+01 volume  0.10540E+01 ppm1      7.713 ppm2      1.711
 OR { 1634}
   (( segid "IL13" and resid 97   and name HN  ))
   (( segid "IL13" and resid 97   and name HD2 ))
 ASSI { 1707}
   (( segid "IL13" and resid 97   and name HN  ))
   (( segid "IL13" and resid 98   and name HN  ))
      3.500     3.500     0.000 peak  1707 weight  0.10000E+01 volume  0.92600E+00 ppm1      7.713 ppm2      8.399
 ASSI { 1332}
   (( segid "IL13" and resid 98   and name HN  ))
   (( segid "IL13" and resid 97   and name HB2 ))
      3.500     3.500     0.000 peak  1332 weight  0.10000E+01 volume  0.22240E+01 ppm1      8.401 ppm2      1.985
 ASSI { 1379}
   (( segid "IL13" and resid 98   and name HN  ))
   (( segid "IL13" and resid 98   and name HB1 ))
      3.500     3.500     0.000 peak  1379 weight  0.10000E+01 volume  0.19090E+01 ppm1      8.398 ppm2      2.616
 ASSI { 1533}
   (( segid "IL13" and resid 98   and name HN  ))
   (( segid "IL13" and resid 99   and name HN  ))
      3.500     3.500     0.000 peak  1533 weight  0.10000E+01 volume  0.12850E+01 ppm1      8.399 ppm2      8.175
 ASSI { 2004}
   (( segid "IL13" and resid 99   and name HN  ))
   (( segid "IL13" and resid 96   and name HA  ))
      5.000     5.000     0.000 peak  2004 weight  0.10000E+01 volume  0.56800E+00 ppm1      8.168 ppm2      3.653
 ASSI { 2117}
   (( segid "IL13" and resid 99   and name HN  ))
   (( segid "IL13" and resid 98   and name HA  ))
      5.000     5.000     0.000 peak  2117 weight  0.10000E+01 volume  0.48200E+00 ppm1      8.169 ppm2      4.387
 ASSI { 1838}
   (( segid "IL13" and resid 99   and name HN  ))
   (( segid "IL13" and resid 98   and name HB1 ))
      3.500     3.500     0.000 peak  1838 weight  0.10000E+01 volume  0.75200E+00 ppm1      8.169 ppm2      2.611
 ASSI { 1917}
   (( segid "IL13" and resid 99   and name HN  ))
   (( segid "IL13" and resid 98   and name HB2 ))
      3.500     3.500     0.000 peak  1917 weight  0.10000E+01 volume  0.66400E+00 ppm1      8.169 ppm2      2.450
 ASSI { 1435}
   (( segid "IL13" and resid 99   and name HN  ))
   (( segid "IL13" and resid 99   and name HB1 ))
      3.500     3.500     0.000 peak  1435 weight  0.10000E+01 volume  0.16060E+01 ppm1      8.170 ppm2      1.899
 ASSI { 1803}
   (( segid "IL13" and resid 99   and name HN  ))
   (  segid "IL13" and resid 99   and name HD1%)
      5.000     5.000     0.000 peak  1803 weight  0.10000E+01 volume  0.26700E+00 ppm1      8.170 ppm2      0.785
 ASSI { 1832}
   (( segid "IL13" and resid 99   and name HN  ))
   (  segid "IL13" and resid 99   and name HD2%)
      5.000     5.000     0.000 peak  1832 weight  0.10000E+01 volume  0.25300E+00 ppm1      8.170 ppm2      0.852
 ASSI { 1722}
   (( segid "IL13" and resid 99   and name HN  ))
   (( segid "IL13" and resid 100  and name HN  ))
      3.500     3.500     0.000 peak  1722 weight  0.10000E+01 volume  0.90100E+00 ppm1      8.171 ppm2      8.572
 ASSI { 2262}
   (( segid "IL13" and resid 100  and name HN  ))
   (( segid "IL13" and resid 96   and name HA  ))
      5.000     5.000     0.000 peak  2262 weight  0.10000E+01 volume  0.39300E+00 ppm1      8.586 ppm2      3.650
 ASSI { 1567}
   (( segid "IL13" and resid 100  and name HN  ))
   (( segid "IL13" and resid 99   and name HB1 ))
      3.500     3.500     0.000 peak  1567 weight  0.10000E+01 volume  0.11990E+01 ppm1      8.586 ppm2      1.892
 ASSI { 1376}
   (( segid "IL13" and resid 100  and name HN  ))
   (( segid "IL13" and resid 100  and name HA  ))
      3.500     3.500     0.000 peak  1376 weight  0.10000E+01 volume  0.19250E+01 ppm1      8.586 ppm2      3.920
 ASSI { 1433}
   (( segid "IL13" and resid 100  and name HN  ))
   (( segid "IL13" and resid 100  and name HB1 ))
      3.500     3.500     0.000 peak  1433 weight  0.10000E+01 volume  0.16070E+01 ppm1      8.585 ppm2      2.140
 ASSI { 1834}
   (( segid "IL13" and resid 100  and name HN  ))
   (( segid "IL13" and resid 101  and name HN  ))
      3.500     3.500     0.000 peak  1834 weight  0.10000E+01 volume  0.75400E+00 ppm1      8.584 ppm2      7.835
 ASSI { 1836}
   (( segid "IL13" and resid 101  and name HN  ))
   (( segid "IL13" and resid 98   and name HA  ))
      3.500     3.500     0.000 peak  1836 weight  0.10000E+01 volume  0.75200E+00 ppm1      7.833 ppm2      4.391
 ASSI { 1555}
   (( segid "IL13" and resid 101  and name HN  ))
   (( segid "IL13" and resid 100  and name HB1 ))
      3.500     3.500     0.000 peak  1555 weight  0.10000E+01 volume  0.12260E+01 ppm1      7.831 ppm2      2.142
 ASSI { 1774}
   (( segid "IL13" and resid 101  and name HN  ))
   (  segid "IL13" and resid 101  and name HD2%)
      5.000     5.000     0.000 peak  1774 weight  0.10000E+01 volume  0.27600E+00 ppm1      7.832 ppm2      0.906
 ASSI { 2947}
   (( segid "IL13" and resid 101  and name HN  ))
   (( segid "IL13" and resid 103  and name HN  ))
      5.000     5.000     0.000 peak  2947 weight  0.10000E+01 volume  0.22100E+00 ppm1      7.828 ppm2      8.913
 ASSI { 2333}
   (( segid "IL13" and resid 102  and name HN  ))
   (  segid "IL13" and resid 39   and name HD1%)
      5.000     5.000     0.000 peak  2333 weight  0.10000E+01 volume  0.12100E+00 ppm1      7.685 ppm2      0.665
 ASSI { 3380}
   (( segid "IL13" and resid 102  and name HN  ))
   (  segid "IL13" and resid 39   and name HD2%)
      5.000     5.000     0.000 peak  3380 weight  0.10000E+01 volume  0.60000E-01 ppm1      7.686 ppm2      0.514
 ASSI { 1579}
   (( segid "IL13" and resid 102  and name HN  ))
   (( segid "IL13" and resid 101  and name HA  ))
      3.500     3.500     0.000 peak  1579 weight  0.10000E+01 volume  0.11560E+01 ppm1      7.684 ppm2      3.931
 ASSI { 1504}
   (( segid "IL13" and resid 102  and name HN  ))
   (( segid "IL13" and resid 101  and name HB1 ))
      3.500     3.500     0.000 peak  1504 weight  0.10000E+01 volume  0.13350E+01 ppm1      7.685 ppm2      1.888
 ASSI { 1644}
   (( segid "IL13" and resid 102  and name HN  ))
   (( segid "IL13" and resid 101  and name HB2 ))
      3.500     3.500     0.000 peak  1644 weight  0.10000E+01 volume  0.10460E+01 ppm1      7.685 ppm2      1.666
 ASSI { 1536}
   (( segid "IL13" and resid 102  and name HN  ))
   (( segid "IL13" and resid 101  and name HN  ))
      3.500     3.500     0.000 peak  1536 weight  0.10000E+01 volume  0.12780E+01 ppm1      7.683 ppm2      7.829
 ASSI { 1279}
   (( segid "IL13" and resid 102  and name HN  ))
   (( segid "IL13" and resid 102  and name HB1 ))
      3.500     3.500     0.000 peak  1279 weight  0.10000E+01 volume  0.27600E+01 ppm1      7.685 ppm2      3.128
 OR { 1279}
   (( segid "IL13" and resid 102  and name HN  ))
   (( segid "IL13" and resid 102  and name HB2 ))
 ASSI { 2445}
   (( segid "IL13" and resid 102  and name HN  ))
   (( segid "IL13" and resid 102  and name HD2 ))
      5.000     5.000     0.000 peak  2445 weight  0.10000E+01 volume  0.32900E+00 ppm1      7.687 ppm2      6.647
 ASSI { 1491}
   (( segid "IL13" and resid 102  and name HN  ))
   (( segid "IL13" and resid 103  and name HN  ))
      3.500     3.500     0.000 peak  1491 weight  0.10000E+01 volume  0.13920E+01 ppm1      7.685 ppm2      8.906
 ASSI { 2401}
   (( segid "IL13" and resid 102  and name HN  ))
   (( segid "IL13" and resid 104  and name HN  ))
      5.000     5.000     0.000 peak  2401 weight  0.10000E+01 volume  0.34100E+00 ppm1      7.686 ppm2      8.602
 ASSI { 2798}
   (( segid "IL13" and resid 102  and name HN  ))
   (( segid "IL13" and resid 105  and name HN  ))
      5.000     5.000     0.000 peak  2798 weight  0.10000E+01 volume  0.24300E+00 ppm1      7.687 ppm2      7.396
 ASSI { 2099}
   (( segid "IL13" and resid 103  and name HN  ))
   (( segid "IL13" and resid 102  and name HA  ))
      5.000     5.000     0.000 peak  2099 weight  0.10000E+01 volume  0.49100E+00 ppm1      8.911 ppm2      4.379
 ASSI { 1576}
   (( segid "IL13" and resid 103  and name HN  ))
   (( segid "IL13" and resid 102  and name HB1 ))
      3.500     3.500     0.000 peak  1576 weight  0.10000E+01 volume  0.11710E+01 ppm1      8.911 ppm2      3.132
 ASSI { 3115}
   (( segid "IL13" and resid 103  and name HN  ))
   (( segid "IL13" and resid 102  and name HD2 ))
      5.000     5.000     0.000 peak  3115 weight  0.10000E+01 volume  0.20100E+00 ppm1      8.918 ppm2      6.650
 ASSI { 1448}
   (( segid "IL13" and resid 103  and name HN  ))
   (( segid "IL13" and resid 103  and name HB1 ))
      3.500     3.500     0.000 peak  1448 weight  0.10000E+01 volume  0.15460E+01 ppm1      8.910 ppm2      1.947
 ASSI { 1710}
   (( segid "IL13" and resid 103  and name HN  ))
   (( segid "IL13" and resid 103  and name HB2 ))
      3.500     3.500     0.000 peak  1710 weight  0.10000E+01 volume  0.92400E+00 ppm1      8.909 ppm2      1.384
 ASSI { 1371}
   (( segid "IL13" and resid 103  and name HN  ))
   (  segid "IL13" and resid 103  and name HD1%)
      3.500     3.500     0.000 peak  1371 weight  0.10000E+01 volume  0.66600E+00 ppm1      8.910 ppm2      0.775
 ASSI { 1676}
   (( segid "IL13" and resid 103  and name HN  ))
   (( segid "IL13" and resid 104  and name HN  ))
      3.500     3.500     0.000 peak  1676 weight  0.10000E+01 volume  0.97300E+00 ppm1      8.911 ppm2      8.624
 ASSI { 2703}
   (( segid "IL13" and resid 103  and name HN  ))
   (( segid "IL13" and resid 105  and name HN  ))
      5.000     5.000     0.000 peak  2703 weight  0.10000E+01 volume  0.26300E+00 ppm1      8.908 ppm2      7.395
 ASSI { 2571}
   (( segid "IL13" and resid 104  and name HN  ))
   (( segid "IL13" and resid 102  and name HA  ))
      5.000     5.000     0.000 peak  2571 weight  0.10000E+01 volume  0.29400E+00 ppm1      8.620 ppm2      4.377
 ASSI { 1254}
   (( segid "IL13" and resid 104  and name HN  ))
   (( segid "IL13" and resid 104  and name HB1 ))
      2.700     2.700     0.000 peak  1254 weight  0.10000E+01 volume  0.33600E+01 ppm1      8.621 ppm2      1.905
 ASSI { 1796}
   (( segid "IL13" and resid 104  and name HN  ))
   (( segid "IL13" and resid 104  and name HD2 ))
      3.500     3.500     0.000 peak  1796 weight  0.10000E+01 volume  0.80700E+00 ppm1      8.621 ppm2      1.639
 ASSI { 3129}
   (( segid "IL13" and resid 104  and name HN  ))
   (( segid "IL13" and resid 104  and name HE2 ))
      5.000     5.000     0.000 peak  3129 weight  0.10000E+01 volume  0.20000E+00 ppm1      8.616 ppm2      2.851
 OR { 3129}
   (( segid "IL13" and resid 104  and name HN  ))
   (( segid "IL13" and resid 104  and name HE1 ))
 ASSI { 1481}
   (( segid "IL13" and resid 104  and name HN  ))
   (( segid "IL13" and resid 104  and name HG2 ))
      3.500     3.500     0.000 peak  1481 weight  0.10000E+01 volume  0.14310E+01 ppm1      8.620 ppm2      1.395
 ASSI { 1485}
   (( segid "IL13" and resid 104  and name HN  ))
   (( segid "IL13" and resid 105  and name HN  ))
      3.500     3.500     0.000 peak  1485 weight  0.10000E+01 volume  0.14160E+01 ppm1      8.622 ppm2      7.394
 ASSI { 2794}
   (( segid "IL13" and resid 104  and name HN  ))
   (( segid "IL13" and resid 106  and name HN  ))
      5.000     5.000     0.000 peak  2794 weight  0.10000E+01 volume  0.24500E+00 ppm1      8.624 ppm2      7.860
 ASSI { 1910}
   (( segid "IL13" and resid 105  and name HN  ))
   (( segid "IL13" and resid 102  and name HA  ))
      3.500     3.500     0.000 peak  1910 weight  0.10000E+01 volume  0.67600E+00 ppm1      7.392 ppm2      4.380
 ASSI { 1250}
   (( segid "IL13" and resid 105  and name HN  ))
   (( segid "IL13" and resid 105  and name HB2 ))
      2.700     2.700     0.000 peak  1250 weight  0.10000E+01 volume  0.34900E+01 ppm1      7.394 ppm2      1.899
 ASSI { 1871}
   (( segid "IL13" and resid 105  and name HN  ))
   (( segid "IL13" and resid 105  and name HD2 ))
      3.500     3.500     0.000 peak  1871 weight  0.10000E+01 volume  0.71800E+00 ppm1      7.393 ppm2      1.680
 ASSI { 1791}
   (( segid "IL13" and resid 105  and name HN  ))
   (( segid "IL13" and resid 105  and name HG1 ))
      3.500     3.500     0.000 peak  1791 weight  0.10000E+01 volume  0.80800E+00 ppm1      7.395 ppm2      1.533
 ASSI { 2210}
   (( segid "IL13" and resid 105  and name HN  ))
   (( segid "IL13" and resid 105  and name HG2 ))
      5.000     5.000     0.000 peak  2210 weight  0.10000E+01 volume  0.42700E+00 ppm1      7.393 ppm2      1.300
 ASSI { 1411}
   (( segid "IL13" and resid 105  and name HN  ))
   (( segid "IL13" and resid 106  and name HN  ))
      3.500     3.500     0.000 peak  1411 weight  0.10000E+01 volume  0.17060E+01 ppm1      7.395 ppm2      7.872
 ASSI { 3225}
   (( segid "IL13" and resid 105  and name HN  ))
   (( segid "IL13" and resid 108  and name HN  ))
      5.000     5.000     0.000 peak  3225 weight  0.10000E+01 volume  0.19100E+00 ppm1      7.405 ppm2      8.110
 ASSI { 1331}
   (( segid "IL13" and resid 106  and name HN  ))
   (( segid "IL13" and resid 106  and name HA  ))
      3.500     3.500     0.000 peak  1331 weight  0.10000E+01 volume  0.22270E+01 ppm1      7.872 ppm2      3.955
 ASSI { 1318}
   (( segid "IL13" and resid 106  and name HN  ))
   (( segid "IL13" and resid 106  and name HB1 ))
      3.500     3.500     0.000 peak  1318 weight  0.10000E+01 volume  0.23410E+01 ppm1      7.876 ppm2      1.858
 ASSI { 1418}
   (( segid "IL13" and resid 106  and name HN  ))
   (( segid "IL13" and resid 106  and name HB2 ))
      3.500     3.500     0.000 peak  1418 weight  0.10000E+01 volume  0.16640E+01 ppm1      7.876 ppm2      1.629
 ASSI { 1539}
   (( segid "IL13" and resid 106  and name HN  ))
   (( segid "IL13" and resid 107  and name HN  ))
      3.500     3.500     0.000 peak  1539 weight  0.10000E+01 volume  0.12730E+01 ppm1      7.876 ppm2      8.674
 ASSI { 1629}
   (( segid "IL13" and resid 107  and name HN  ))
   (( segid "IL13" and resid 106  and name HA  ))
      3.500     3.500     0.000 peak  1629 weight  0.10000E+01 volume  0.10590E+01 ppm1      8.691 ppm2      3.961
 ASSI { 1446}
   (( segid "IL13" and resid 107  and name HN  ))
   (( segid "IL13" and resid 106  and name HB1 ))
      3.500     3.500     0.000 peak  1446 weight  0.10000E+01 volume  0.15490E+01 ppm1      8.691 ppm2      1.851
 ASSI { 2232}
   (( segid "IL13" and resid 107  and name HN  ))
   (  segid "IL13" and resid 107  and name HD% )
      5.000     5.000     0.000 peak  2232 weight  0.10000E+01 volume  0.41300E+00 ppm1      8.686 ppm2      7.213
 ASSI { 1759}
   (( segid "IL13" and resid 108  and name HN  ))
   (( segid "IL13" and resid 106  and name HN  ))
      3.500     3.500     0.000 peak  1759 weight  0.10000E+01 volume  0.85000E+00 ppm1      8.098 ppm2      7.824
 ASSI { 2065}
   (( segid "IL13" and resid 108  and name HN  ))
   (  segid "IL13" and resid 107  and name HD% )
      5.000     5.000     0.000 peak  2065 weight  0.10000E+01 volume  0.52100E+00 ppm1      8.097 ppm2      7.212
 ASSI { 1473}
   (( segid "IL13" and resid 108  and name HN  ))
   (( segid "IL13" and resid 107  and name HN  ))
      3.500     3.500     0.000 peak  1473 weight  0.10000E+01 volume  0.14540E+01 ppm1      8.100 ppm2      8.684
 ASSI { 1932}
   (( segid "IL13" and resid 109  and name HN  ))
   (( segid "IL13" and resid 108  and name HG2 ))
      5.000     5.000     0.000 peak  1932 weight  0.10000E+01 volume  0.64600E+00 ppm1      7.953 ppm2      1.841
 OR { 1932}
   (( segid "IL13" and resid 109  and name HN  ))
   (( segid "IL13" and resid 108  and name HG1 ))
 ASSI { 1551}
   (( segid "IL13" and resid 109  and name HN  ))
   (( segid "IL13" and resid 108  and name HN  ))
      3.500     3.500     0.000 peak  1551 weight  0.10000E+01 volume  0.12470E+01 ppm1      7.951 ppm2      8.099
 ASSI { 1445}
   (( segid "IL13" and resid 109  and name HN  ))
   (( segid "IL13" and resid 109  and name HA  ))
      3.500     3.500     0.000 peak  1445 weight  0.10000E+01 volume  0.15530E+01 ppm1      7.953 ppm2      4.173
 ASSI { 1285}
   (( segid "IL13" and resid 109  and name HN  ))
   (( segid "IL13" and resid 109  and name HB2 ))
      3.500     3.500     0.000 peak  1285 weight  0.10000E+01 volume  0.26750E+01 ppm1      7.953 ppm2      2.032
 ASSI { 1772}
   (( segid "IL13" and resid 109  and name HN  ))
   (( segid "IL13" and resid 109  and name HG2 ))
      3.500     3.500     0.000 peak  1772 weight  0.10000E+01 volume  0.83100E+00 ppm1      7.952 ppm2      2.276
 ASSI { 1380}
   (( segid "IL13" and resid 109  and name HN  ))
   (( segid "IL13" and resid 110  and name HN  ))
      3.500     3.500     0.000 peak  1380 weight  0.10000E+01 volume  0.19000E+01 ppm1      7.952 ppm2      7.769
 ASSI { 2304}
   (( segid "IL13" and resid 110  and name HN  ))
   (  segid "IL13" and resid 112  and name HD% )
      5.000     5.000     0.000 peak  2304 weight  0.10000E+01 volume  0.37500E+00 ppm1      7.770 ppm2      7.177
 ASSI { 1643}
   (( segid "IL13" and resid 111  and name HN  ))
   (( segid "IL13" and resid 110  and name HA1 ))
      3.500     3.500     0.000 peak  1643 weight  0.10000E+01 volume  0.10460E+01 ppm1      7.764 ppm2      3.731
 ASSI { 1339}
   (( segid "IL13" and resid 111  and name HN  ))
   (( segid "IL13" and resid 111  and name HA  ))
      3.500     3.500     0.000 peak  1339 weight  0.10000E+01 volume  0.21870E+01 ppm1      7.763 ppm2      4.302
 ASSI { 1430}
   (( segid "IL13" and resid 111  and name HN  ))
   (( segid "IL13" and resid 111  and name HB1 ))
      3.500     3.500     0.000 peak  1430 weight  0.10000E+01 volume  0.16100E+01 ppm1      7.762 ppm2      1.816
 ASSI { 1300}
   (( segid "IL13" and resid 111  and name HN  ))
   (( segid "IL13" and resid 111  and name HB2 ))
      3.500     3.500     0.000 peak  1300 weight  0.10000E+01 volume  0.24510E+01 ppm1      7.762 ppm2      1.626
 ASSI { 2159}
   (( segid "IL13" and resid 111  and name HN  ))
   (( segid "IL13" and resid 111  and name HD2 ))
      5.000     5.000     0.000 peak  2159 weight  0.10000E+01 volume  0.45200E+00 ppm1      7.763 ppm2      3.169
 ASSI { 1343}
   (( segid "IL13" and resid 111  and name HN  ))
   (( segid "IL13" and resid 111  and name HG1 ))
      3.500     3.500     0.000 peak  1343 weight  0.10000E+01 volume  0.21510E+01 ppm1      7.762 ppm2      1.510
 ASSI { 2086}
   (( segid "IL13" and resid 111  and name HN  ))
   (  segid "IL13" and resid 112  and name HD% )
      5.000     5.000     0.000 peak  2086 weight  0.10000E+01 volume  0.49900E+00 ppm1      7.761 ppm2      7.179
 ASSI { 1225}
   (( segid "IL13" and resid 112  and name HN  ))
   (( segid "IL13" and resid 111  and name HA  ))
      2.700     2.700     0.000 peak  1225 weight  0.10000E+01 volume  0.43360E+01 ppm1      7.969 ppm2      4.295
 ASSI { 1967}
   (( segid "IL13" and resid 112  and name HN  ))
   (( segid "IL13" and resid 111  and name HB1 ))
      5.000     5.000     0.000 peak  1967 weight  0.10000E+01 volume  0.60500E+00 ppm1      7.972 ppm2      1.820
 ASSI { 1726}
   (( segid "IL13" and resid 112  and name HN  ))
   (( segid "IL13" and resid 112  and name HB1 ))
      3.500     3.500     0.000 peak  1726 weight  0.10000E+01 volume  0.89400E+00 ppm1      7.969 ppm2      3.316
 ASSI { 1377}
   (( segid "IL13" and resid 112  and name HN  ))
   (( segid "IL13" and resid 112  and name HB2 ))
      3.500     3.500     0.000 peak  1377 weight  0.10000E+01 volume  0.19230E+01 ppm1      7.972 ppm2      2.865
 ASSI { 1712}
   (( segid "IL13" and resid 112  and name HN  ))
   (  segid "IL13" and resid 112  and name HD% )
      3.500     3.500     0.000 peak  1712 weight  0.10000E+01 volume  0.92000E+00 ppm1      7.968 ppm2      7.173
 ASSI { 1764}
   (( segid "IL13" and resid 113  and name HN  ))
   (( segid "IL13" and resid 111  and name HA  ))
      3.500     3.500     0.000 peak  1764 weight  0.10000E+01 volume  0.83900E+00 ppm1      7.912 ppm2      4.303
 ASSI { 2207}
   (( segid "IL13" and resid 113  and name HN  ))
   (  segid "IL13" and resid 112  and name HD% )
      5.000     5.000     0.000 peak  2207 weight  0.10000E+01 volume  0.42900E+00 ppm1      7.912 ppm2      7.174
 ASSI { 1293}
   (( segid "IL13" and resid 113  and name HN  ))
   (( segid "IL13" and resid 113  and name HA  ))
      3.500     3.500     0.000 peak  1293 weight  0.10000E+01 volume  0.25520E+01 ppm1      7.907 ppm2      4.566
 ASSI { 1867}
   (( segid "IL13" and resid 113  and name HD21))
   (( segid "IL13" and resid 113  and name HB1 ))
      3.500     3.500     0.000 peak  1867 weight  0.10000E+01 volume  0.72300E+00 ppm1      7.579 ppm2      2.847
 OR { 1867}
   (( segid "IL13" and resid 113  and name HD21))
   (( segid "IL13" and resid 113  and name HB2 ))
 ASSI { 2200}
   (( segid "IL13" and resid 113  and name HD22))
   (( segid "IL13" and resid 113  and name HB1 ))
      5.000     5.000     0.000 peak  2200 weight  0.10000E+01 volume  0.43100E+00 ppm1      6.840 ppm2      2.847
 OR { 2200}
   (( segid "IL13" and resid 113  and name HD22))
   (( segid "IL13" and resid 113  and name HB2 ))
 ASSI { 4600}
   (  segid "IL13" and resid 17   and name HD1%)
   (( segid "IL13" and resid 99   and name HA  ))
      5.000     5.000     0.000 peak  4600 weight  0.10000E+01 volume -0.55100E+00 ppm1      0.812 ppm2      3.892
 ASSI { 4640}
   (( segid "IL13" and resid 22   and name HG1 ))
   (  segid "IL13" and resid 18   and name HG2%)
      3.500     3.500     0.000 peak  4640 weight  0.10000E+01 volume  0.13340E+01 ppm1      2.499 ppm2      0.876
 ASSI { 4658}
   (  segid "IL13" and resid 59   and name HB% )
   (  segid "IL13" and resid 28   and name HD1%)
      3.500     3.500     0.000 peak  4658 weight  0.10000E+01 volume -0.16220E+01 ppm1      1.497 ppm2      0.954
 ASSI { 5775}
   (( segid "IL13" and resid 66   and name HN  ))
   (( segid "IL13" and resid 65   and name HB1 ))
      3.500     3.500     0.000 peak  5775 weight  0.10000E+01 volume -0.10300E+01 ppm1      9.067 ppm2      2.071
 ASSI {  349}
   (( segid "IL13" and resid 105  and name HN  ))
   (( segid "IL13" and resid 101  and name HA  ))
      5.000     5.000     0.000 peak   349 weight  0.10000E+01 volume  0.45500E+00 ppm1      7.385 ppm2      3.945
 ASSI { 2216}
   (( segid "IL13" and resid 19   and name HD21))
   (( segid "IL13" and resid 16   and name HA  ))
      5.000     5.000     0.000 peak  2216 weight  0.10000E+01 volume  0.42000E+00 ppm1      7.532 ppm2      4.659
 ASSI { 3217}
   (( segid "IL13" and resid 31   and name HN  ))
   (( segid "IL13" and resid 27   and name HB2 ))
      5.000     5.000     0.000 peak  3217 weight  0.10000E+01 volume  0.19200E+00 ppm1      8.191 ppm2      1.677
 ASSI { 2014}
   (( segid "IL13" and resid 37   and name HN  ))
   (  segid "IL13" and resid 95   and name HE% )
      5.000     5.000     0.000 peak  2014 weight  0.10000E+01 volume  0.56200E+00 ppm1      8.362 ppm2      7.407
 ASSI { 1842}
   (( segid "IL13" and resid 44   and name HN  ))
   (( segid "IL13" and resid 43   and name HG1 ))
      3.500     3.500     0.000 peak  1842 weight  0.10000E+01 volume  0.75000E+00 ppm1      7.558 ppm2      1.981
 ASSI { 5292}
   (  segid "IL13" and resid 54   and name HG1%)
   (( segid "IL13" and resid 57   and name HB1 ))
      3.500     3.500     0.000 peak  5292 weight  0.10000E+01 volume  0.22150E+01 ppm1      0.973 ppm2      3.129
 ASSI { 6071}
   (( segid "IL13" and resid 104  and name HE1 ))
   (  segid "IL13" and resid 100  and name HD2%)
      5.000     5.000     0.000 peak  6071 weight  0.10000E+01 volume  0.70100E+00 ppm1      2.843 ppm2      0.915
 ASSI { 6205}
   (( segid "IL13" and resid 52   and name HA  ))
   (( segid "IL13" and resid 64   and name HE22))
      3.500     3.500     0.000 peak  6205 weight  0.10000E+01 volume  0.15800E+01 ppm1      4.177 ppm2      6.932
 ASSI { 2587}
   (( segid "IL13" and resid 16   and name HN  ))
   (( segid "IL13" and resid 15   and name HG1 ))
      5.000     5.000     0.000 peak  2587 weight  0.10000E+01 volume  0.28800E+00 ppm1      7.834 ppm2      2.453
 ASSI { 2018}
   (( segid "IL13" and resid 22   and name HN  ))
   (  segid "IL13" and resid 21   and name HG2%)
      5.000     5.000     0.000 peak  2018 weight  0.10000E+01 volume  0.55900E+00 ppm1      7.947 ppm2      1.287
 ASSI { 1688}
   (( segid "IL13" and resid 26   and name HN  ))
   (( segid "IL13" and resid 25   and name HB2 ))
      3.500     3.500     0.000 peak  1688 weight  0.10000E+01 volume  0.95700E+00 ppm1      7.736 ppm2      1.807
 ASSI { 1898}
   (( segid "IL13" and resid 113  and name HN  ))
   (( segid "IL13" and resid 112  and name HB1 ))
      3.500     3.500     0.000 peak  1898 weight  0.10000E+01 volume  0.69100E+00 ppm1      7.914 ppm2      3.318
 ASSI { 4286}
   (( segid "IL13" and resid 59   and name HA  ))
   (( segid "IL13" and resid 60   and name HA  ))
      5.000     5.000     0.000 peak  4286 weight  0.10000E+01 volume  0.90800E+00 ppm1      4.241 ppm2      4.568
 ASSI { 3917}
   (  segid "IL13" and resid 75   and name HG1%)
   (( segid "IL13" and resid 48   and name HG  ))
      5.000     5.000     0.000 peak  3917 weight  0.10000E+01 volume -0.30500E+00 ppm1      0.956 ppm2      1.628
 ASSI { 3935}
   (  segid "IL13" and resid 92   and name HG1%)
   (  segid "IL13" and resid 96   and name HG2%)
      5.000     5.000     0.000 peak  3935 weight  0.10000E+01 volume -0.41400E+00 ppm1      0.858 ppm2      1.140
 ASSI { 4785}
   (  segid "IL13" and resid 101  and name HD1%)
   (( segid "IL13" and resid 37   and name HB  ))
      5.000     5.000     0.000 peak  4785 weight  0.10000E+01 volume  0.71600E+00 ppm1      0.974 ppm2      1.818
 ASSI {  181}
   (  segid "IL13" and resid 10   and name HD2%)
   (  segid "IL13" and resid 107  and name HD% )
      5.000     5.000     0.000 peak   181 weight  0.10000E+01 volume -0.49500E+00 ppm1      1.134 ppm2      7.209
 ASSI { 6300}
   (( segid "IL13" and resid 51   and name HB2 ))
   (( segid "IL13" and resid 64   and name HE22))
      5.000     5.000     0.000 peak  6300 weight  0.10000E+01 volume -0.48600E+00 ppm1      1.410 ppm2      6.899
 ASSI {  159}
   (( segid "IL13" and resid 90   and name HG11))
   (( segid "IL13" and resid 95   and name HN  ))
      5.000     5.000     0.000 peak   159 weight  0.10000E+01 volume -0.83800E+00 ppm1      1.466 ppm2      8.271
 ASSI { 6168}
   (  segid "IL13" and resid 93   and name HB% )
   (( segid "IL13" and resid 28   and name HN  ))
      5.000     5.000     0.000 peak  6168 weight  0.10000E+01 volume  0.34900E+00 ppm1      1.589 ppm2      8.361
 ASSI { 6123}
   (( segid "IL13" and resid 21   and name HN  ))
   (( segid "IL13" and resid 18   and name HA  ))
      5.000     5.000     0.000 peak  6123 weight  0.10000E+01 volume  0.76500E+00 ppm1      7.586 ppm2      3.360
 ASSI { 6126}
   (( segid "IL13" and resid 32   and name HN  ))
   (  segid "IL13" and resid 92   and name HG2%)
      5.000     5.000     0.000 peak  6126 weight  0.10000E+01 volume  0.94000E+00 ppm1      7.667 ppm2      0.867
 ASSI { 6112}
   (( segid "IL13" and resid 94   and name HN  ))
   (( segid "IL13" and resid 91   and name HB2 ))
      3.500     3.500     0.000 peak  6112 weight  0.10000E+01 volume  0.20290E+01 ppm1      6.998 ppm2      2.044
 ASSI { 2241}
   (( segid "IL13" and resid 12   and name HN  ))
   (( segid "IL13" and resid 11   and name HG1 ))
      5.000     5.000     0.000 peak  2241 weight  0.10000E+01 volume  0.40900E+00 ppm1      8.363 ppm2      1.520
 ASSI { 2367}
   (( segid "IL13" and resid 19   and name HD21))
   (  segid "IL13" and resid 20   and name HG2%)
      5.000     5.000     0.000 peak  2367 weight  0.10000E+01 volume  0.35300E+00 ppm1      7.536 ppm2      1.147
 ASSI { 2997}
   (( segid "IL13" and resid 21   and name HN  ))
   (( segid "IL13" and resid 19   and name HB1 ))
      5.000     5.000     0.000 peak  2997 weight  0.10000E+01 volume  0.21500E+00 ppm1      7.573 ppm2      3.114
 OR { 2997}
   (( segid "IL13" and resid 21   and name HN  ))
   (( segid "IL13" and resid 19   and name HB2 ))
 ASSI { 2528}
   (( segid "IL13" and resid 22   and name HN  ))
   (( segid "IL13" and resid 18   and name HA  ))
      5.000     5.000     0.000 peak  2528 weight  0.10000E+01 volume  0.30500E+00 ppm1      7.952 ppm2      3.349
 ASSI { 2585}
   (( segid "IL13" and resid 37   and name HN  ))
   (  segid "IL13" and resid 95   and name HD% )
      5.000     5.000     0.000 peak  2585 weight  0.10000E+01 volume  0.28800E+00 ppm1      8.351 ppm2      7.107
 ASSI { 2545}
   (( segid "IL13" and resid 44   and name HN  ))
   (( segid "IL13" and resid 43   and name HB1 ))
      5.000     5.000     0.000 peak  2545 weight  0.10000E+01 volume  0.29900E+00 ppm1      7.558 ppm2      2.263
 ASSI { 2493}
   (( segid "IL13" and resid 51   and name HN  ))
   (  segid "IL13" and resid 95   and name HE% )
      5.000     5.000     0.000 peak  2493 weight  0.10000E+01 volume  0.31600E+00 ppm1      8.038 ppm2      7.399
 OR { 2493}
   (( segid "IL13" and resid 51   and name HN  ))
   (( segid "IL13" and resid 95   and name HZ  ))
 ASSI { 2193}
   (( segid "IL13" and resid 52   and name HN  ))
   (( segid "IL13" and resid 51   and name HB1 ))
      5.000     5.000     0.000 peak  2193 weight  0.10000E+01 volume  0.43400E+00 ppm1      8.858 ppm2      1.782
 ASSI { 2871}
   (( segid "IL13" and resid 54   and name HN  ))
   (  segid "IL13" and resid 34   and name HG1%)
      5.000     5.000     0.000 peak  2871 weight  0.10000E+01 volume  0.23000E+00 ppm1      7.481 ppm2      0.470
 ASSI { 1600}
   (( segid "IL13" and resid 57   and name HN  ))
   (( segid "IL13" and resid 58   and name HB2 ))
      3.500     3.500     0.000 peak  1600 weight  0.10000E+01 volume  0.11270E+01 ppm1      8.638 ppm2      3.939
 ASSI { 2931}
   (( segid "IL13" and resid 66   and name HN  ))
   (( segid "IL13" and resid 65   and name HG2 ))
      5.000     5.000     0.000 peak  2931 weight  0.10000E+01 volume  0.22200E+00 ppm1      9.093 ppm2      1.676
 ASSI { 3211}
   (( segid "IL13" and resid 70   and name HN  ))
   (( segid "IL13" and resid 71   and name HB1 ))
      5.000     5.000     0.000 peak  3211 weight  0.10000E+01 volume  0.19300E+00 ppm1      7.496 ppm2      3.324
 ASSI { 1352}
   (( segid "IL13" and resid 76   and name HN  ))
   (  segid "IL13" and resid 75   and name HG1%)
      3.500     3.500     0.000 peak  1352 weight  0.10000E+01 volume  0.20970E+01 ppm1      8.437 ppm2      0.975
 OR { 1352}
   (( segid "IL13" and resid 76   and name HN  ))
   (  segid "IL13" and resid 75   and name HG2%)
 ASSI { 1829}
   (( segid "IL13" and resid 77   and name HN  ))
   (  segid "IL13" and resid 52   and name HD1%)
      3.500     3.500     0.000 peak  1829 weight  0.10000E+01 volume  0.76200E+00 ppm1      8.684 ppm2      0.877
 ASSI { 2874}
   (( segid "IL13" and resid 94   and name HE21))
   (( segid "IL13" and resid 97   and name HB2 ))
      5.000     5.000     0.000 peak  2874 weight  0.10000E+01 volume  0.22900E+00 ppm1      8.036 ppm2      1.991
 ASSI { 3307}
   (( segid "IL13" and resid 96   and name HN  ))
   (  segid "IL13" and resid 34   and name HG2%)
      5.000     5.000     0.000 peak  3307 weight  0.10000E+01 volume  0.18400E+00 ppm1      8.909 ppm2      0.235
 ASSI { 4377}
   (  segid "IL13" and resid 17   and name HD1%)
   (( segid "IL13" and resid 100  and name HA  ))
      5.000     5.000     0.000 peak  4377 weight  0.10000E+01 volume -0.15800E+00 ppm1      0.809 ppm2      3.901
 ASSI { 4012}
   (( segid "IL13" and resid 19   and name HA  ))
   (( segid "IL13" and resid 22   and name HB2 ))
      5.000     5.000     0.000 peak  4012 weight  0.10000E+01 volume  0.65200E+00 ppm1      4.450 ppm2      2.136
 ASSI { 3609}
   (  segid "IL13" and resid 47   and name HB% )
   (  segid "IL13" and resid 67   and name HD1%)
      5.000     5.000     0.000 peak  3609 weight  0.10000E+01 volume  0.70000E+00 ppm1      1.631 ppm2      0.873
 ASSI { 5297}
   (( segid "IL13" and resid 15   and name HG2 ))
   (( segid "IL13" and resid 15   and name HA  ))
      3.500     3.500     0.000 peak  5297 weight  0.10000E+01 volume -0.20710E+01 ppm1      2.255 ppm2      3.892
 ASSI { 4715}
   (( segid "IL13" and resid 15   and name HG1 ))
   (( segid "IL13" and resid 11   and name HG1 ))
      5.000     5.000     0.000 peak  4715 weight  0.10000E+01 volume  0.72200E+00 ppm1      2.468 ppm2      1.514
 OR { 4715}
   (( segid "IL13" and resid 15   and name HG1 ))
   (( segid "IL13" and resid 11   and name HG2 ))
 ASSI { 4637}
   (  segid "IL13" and resid 21   and name HG2%)
   (( segid "IL13" and resid 100  and name HG  ))
      5.000     5.000     0.000 peak  4637 weight  0.10000E+01 volume  0.74100E+00 ppm1      1.299 ppm2      0.861
 ASSI { 5256}
   (  segid "IL13" and resid 47   and name HB% )
   (  segid "IL13" and resid 67   and name HD2%)
      5.000     5.000     0.000 peak  5256 weight  0.10000E+01 volume -0.46100E+00 ppm1      1.643 ppm2      1.052
! EZE rm ??, but had left this in from iteration 4 on...but only an intra so no worries
!ASSI {  158}
!  (( segid "IL13" and resid 97   and name HG1 ))
!  (( segid "IL13" and resid 97   and name HN  ))
!     5.000     5.000     0.000 peak   158 weight  0.10000E+01 volume -0.56000E+00 ppm1      1.477 ppm2      7.740
 ASSI { 6120}
   (( segid "IL13" and resid 78   and name HN  ))
   (  segid "IL13" and resid 52   and name HG2%)
      5.000     5.000     0.000 peak  6120 weight  0.10000E+01 volume  0.63500E+00 ppm1      8.704 ppm2      0.885
 ASSI { 2459}
   (( segid "IL13" and resid 13   and name HN  ))
   (( segid "IL13" and resid 12   and name HG1 ))
      5.000     5.000     0.000 peak  2459 weight  0.10000E+01 volume  0.32600E+00 ppm1      7.898 ppm2      2.584
 ASSI { 1968}
   (( segid "IL13" and resid 14   and name HN  ))
   (( segid "IL13" and resid 13   and name HG  ))
      5.000     5.000     0.000 peak  1968 weight  0.10000E+01 volume  0.60500E+00 ppm1      8.434 ppm2      1.533
 ASSI { 3019}
   (( segid "IL13" and resid 28   and name HN  ))
   (( segid "IL13" and resid 93   and name HA  ))
      5.000     5.000     0.000 peak  3019 weight  0.10000E+01 volume  0.21300E+00 ppm1      8.391 ppm2      3.986
 ASSI { 2700}
   (( segid "IL13" and resid 30   and name HN  ))
   (( segid "IL13" and resid 27   and name HB2 ))
      5.000     5.000     0.000 peak  2700 weight  0.10000E+01 volume  0.26300E+00 ppm1      8.386 ppm2      1.696
 ASSI { 1469}
   (( segid "IL13" and resid 39   and name HN  ))
   (  segid "IL13" and resid 39   and name HD1%)
      3.500     3.500     0.000 peak  1469 weight  0.10000E+01 volume  0.14620E+01 ppm1      8.468 ppm2      0.643
 ASSI { 2479}
   (( segid "IL13" and resid 47   and name HN  ))
   (( segid "IL13" and resid 95   and name HZ  ))
      5.000     5.000     0.000 peak  2479 weight  0.10000E+01 volume  0.32000E+00 ppm1      8.667 ppm2      7.398
 OR { 2479}
   (( segid "IL13" and resid 47   and name HN  ))
   (  segid "IL13" and resid 95   and name HE% )
 ASSI { 1730}
   (( segid "IL13" and resid 48   and name HN  ))
   (  segid "IL13" and resid 67   and name HD1%)
      3.500     3.500     0.000 peak  1730 weight  0.10000E+01 volume  0.89000E+00 ppm1      8.130 ppm2      0.873
 ASSI { 2466}
   (( segid "IL13" and resid 50   and name HN  ))
   (( segid "IL13" and resid 95   and name HZ  ))
      5.000     5.000     0.000 peak  2466 weight  0.10000E+01 volume  0.32400E+00 ppm1      7.874 ppm2      7.397
 ASSI { 2274}
   (( segid "IL13" and resid 54   and name HN  ))
   (( segid "IL13" and resid 64   and name HE22))
      5.000     5.000     0.000 peak  2274 weight  0.10000E+01 volume  0.38800E+00 ppm1      7.466 ppm2      6.887
 ASSI { 1635}
   (( segid "IL13" and resid 61   and name HN  ))
   (  segid "IL13" and resid 60   and name HD1%)
      3.500     3.500     0.000 peak  1635 weight  0.10000E+01 volume  0.10510E+01 ppm1      7.581 ppm2      0.965
 ASSI { 2796}
   (( segid "IL13" and resid 66   and name HN  ))
   (( segid "IL13" and resid 65   and name HG1 ))
      5.000     5.000     0.000 peak  2796 weight  0.10000E+01 volume  0.24400E+00 ppm1      9.088 ppm2      1.867
 ASSI { 3056}
   (( segid "IL13" and resid 71   and name HN  ))
   (( segid "IL13" and resid 44   and name HB1 ))
      5.000     5.000     0.000 peak  3056 weight  0.10000E+01 volume  0.20800E+00 ppm1      7.507 ppm2      2.979
 ASSI { 2476}
   (( segid "IL13" and resid 71   and name HN  ))
   (( segid "IL13" and resid 72   and name HD1 ))
      5.000     5.000     0.000 peak  2476 weight  0.10000E+01 volume  0.32100E+00 ppm1      7.512 ppm2      3.860
 ASSI { 3198}
   (( segid "IL13" and resid 73   and name HN  ))
   (( segid "IL13" and resid 71   and name HB1 ))
      5.000     5.000     0.000 peak  3198 weight  0.10000E+01 volume  0.19400E+00 ppm1      7.448 ppm2      3.342
 ASSI { 2738}
   (( segid "IL13" and resid 78   and name HN  ))
   (( segid "IL13" and resid 53   and name HD22))
      5.000     5.000     0.000 peak  2738 weight  0.10000E+01 volume  0.25400E+00 ppm1      8.718 ppm2      7.348
 ASSI { 6089}
   (( segid "IL13" and resid 36   and name HA  ))
   (( segid "IL13" and resid 90   and name HG12))
      5.000     5.000     0.000 peak  6089 weight  0.10000E+01 volume  0.38400E+00 ppm1      4.554 ppm2      1.203
 ASSI { 3919}
   (  segid "IL13" and resid 75   and name HG2%)
   (( segid "IL13" and resid 49   and name HB1 ))
      5.000     5.000     0.000 peak  3919 weight  0.10000E+01 volume -0.15100E+00 ppm1      1.029 ppm2      2.239
 ASSI { 4690}
   (( segid "IL13" and resid 94   and name HA  ))
   (( segid "IL13" and resid 97   and name HB2 ))
      3.500     3.500     0.000 peak  4690 weight  0.10000E+01 volume  0.17990E+01 ppm1      4.017 ppm2      1.986
 ASSI { 4171}
   (  segid "IL13" and resid 96   and name HG2%)
   (  segid "IL13" and resid 28   and name HD2%)
      3.500     3.500     0.000 peak  4171 weight  0.10000E+01 volume -0.13720E+01 ppm1      1.127 ppm2      0.822
 ASSI { 4820}
   (  segid "IL13" and resid 37   and name HD1%)
   (( segid "IL13" and resid 43   and name HB2 ))
      5.000     5.000     0.000 peak  4820 weight  0.10000E+01 volume -0.33500E+00 ppm1      0.762 ppm2      2.179
 ASSI { 6192}
   (( segid "IL13" and resid 54   and name HB  ))
   (( segid "IL13" and resid 64   and name HE21))
      5.000     5.000     0.000 peak  6192 weight  0.10000E+01 volume -0.82000E+00 ppm1      2.174 ppm2      6.943
 ASSI { 6169}
   (( segid "IL13" and resid 28   and name HN  ))
   (( segid "IL13" and resid 27   and name HG2 ))
      5.000     5.000     0.000 peak  6169 weight  0.10000E+01 volume  0.63700E+00 ppm1      8.381 ppm2      2.012
 ASSI { 6116}
   (( segid "IL13" and resid 36   and name HN  ))
   (( segid "IL13" and resid 90   and name HG12))
      5.000     5.000     0.000 peak  6116 weight  0.10000E+01 volume  0.80500E+00 ppm1      8.767 ppm2      1.227
 ASSI { 6282}
   (( segid "IL13" and resid 40   and name HN  ))
   (( segid "IL13" and resid 43   and name HB2 ))
      5.000     5.000     0.000 peak  6282 weight  0.10000E+01 volume  0.10080E+01 ppm1      7.443 ppm2      2.140
 ASSI { 1896}
   (( segid "IL13" and resid 64   and name HE21))
   (  segid "IL13" and resid 60   and name HD1%)
      3.500     3.500     0.000 peak  1896 weight  0.10000E+01 volume  0.17870E+01 ppm1      6.983 ppm2      0.965
 ASSI { 5718}
   (( segid "IL13" and resid 104  and name HN  ))
   (( segid "IL13" and resid 103  and name HB1 ))
      5.000     5.000     0.000 peak  5718 weight  0.10000E+01 volume -0.45400E+00 ppm1      8.624 ppm2      1.894
 ASSI { 2118}
   (( segid "IL13" and resid 38   and name HD22))
   (  segid "IL13" and resid 40   and name HG2%)
      5.000     5.000     0.000 peak  2118 weight  0.10000E+01 volume  0.48200E+00 ppm1      6.956 ppm2      1.129
 ASSI { 2380}
   (( segid "IL13" and resid 16   and name HN  ))
   (( segid "IL13" and resid 12   and name HA  ))
      5.000     5.000     0.000 peak  2380 weight  0.10000E+01 volume  0.34800E+00 ppm1      7.832 ppm2      3.955
 ASSI { 1928}
   (( segid "IL13" and resid 19   and name HN  ))
   (( segid "IL13" and resid 18   and name HA  ))
      5.000     5.000     0.000 peak  1928 weight  0.10000E+01 volume  0.65000E+00 ppm1      8.054 ppm2      3.358
 ASSI { 2694}
   (( segid "IL13" and resid 19   and name HD22))
   (( segid "IL13" and resid 20   and name HA  ))
      5.000     5.000     0.000 peak  2694 weight  0.10000E+01 volume  0.26400E+00 ppm1      6.955 ppm2      4.313
 ASSI { 2803}
   (( segid "IL13" and resid 28   and name HN  ))
   (( segid "IL13" and resid 27   and name HG2 ))
      5.000     5.000     0.000 peak  2803 weight  0.10000E+01 volume  0.24200E+00 ppm1      8.391 ppm2      2.037
 OR { 2803}
   (( segid "IL13" and resid 28   and name HN  ))
   (( segid "IL13" and resid 27   and name HG1 ))
 ASSI { 1911}
   (( segid "IL13" and resid 36   and name HN  ))
   (  segid "IL13" and resid 95   and name HE% )
      3.500     3.500     0.000 peak  1911 weight  0.10000E+01 volume  0.67500E+00 ppm1      8.779 ppm2      7.439
 ASSI { 2023}
   (( segid "IL13" and resid 38   and name HN  ))
   (  segid "IL13" and resid 46   and name HB% )
      5.000     5.000     0.000 peak  2023 weight  0.10000E+01 volume  0.55300E+00 ppm1      8.460 ppm2      1.461
 ASSI { 1982}
   (( segid "IL13" and resid 38   and name HN  ))
   (  segid "IL13" and resid 37   and name HD1%)
      5.000     5.000     0.000 peak  1982 weight  0.10000E+01 volume  0.58800E+00 ppm1      8.462 ppm2      0.739
 ASSI { 2907}
   (( segid "IL13" and resid 42   and name HN  ))
   (  segid "IL13" and resid 41   and name HB% )
      5.000     5.000     0.000 peak  2907 weight  0.10000E+01 volume  0.22600E+00 ppm1      8.589 ppm2      1.428
 ASSI { 1973}
   (( segid "IL13" and resid 44   and name HN  ))
   (( segid "IL13" and resid 43   and name HB2 ))
      5.000     5.000     0.000 peak  1973 weight  0.10000E+01 volume  0.59800E+00 ppm1      7.559 ppm2      2.142
 ASSI { 2756}
   (( segid "IL13" and resid 45   and name HN  ))
   (( segid "IL13" and resid 71   and name HB2 ))
      5.000     5.000     0.000 peak  2756 weight  0.10000E+01 volume  0.25000E+00 ppm1      8.718 ppm2      2.446
 ASSI { 2819}
   (( segid "IL13" and resid 46   and name HN  ))
   (( segid "IL13" and resid 44   and name HB2 ))
      5.000     5.000     0.000 peak  2819 weight  0.10000E+01 volume  0.23800E+00 ppm1      8.295 ppm2      2.974
 OR { 2819}
   (( segid "IL13" and resid 46   and name HN  ))
   (( segid "IL13" and resid 44   and name HB1 ))
 ASSI { 2953}
   (( segid "IL13" and resid 46   and name HN  ))
   (( segid "IL13" and resid 72   and name HD2 ))
      5.000     5.000     0.000 peak  2953 weight  0.10000E+01 volume  0.22000E+00 ppm1      8.291 ppm2      3.777
 ASSI { 2886}
   (( segid "IL13" and resid 71   and name HN  ))
   (( segid "IL13" and resid 45   and name HA  ))
      5.000     5.000     0.000 peak  2886 weight  0.10000E+01 volume  0.22800E+00 ppm1      7.503 ppm2      4.446
 ASSI { 2225}
   (( segid "IL13" and resid 77   and name HN  ))
   (( segid "IL13" and resid 52   and name HG11))
      5.000     5.000     0.000 peak  2225 weight  0.10000E+01 volume  0.41700E+00 ppm1      8.682 ppm2      1.515
 ASSI { 1885}
   (( segid "IL13" and resid 88   and name HN  ))
   (( segid "IL13" and resid 87   and name HB2 ))
      3.500     3.500     0.000 peak  1885 weight  0.10000E+01 volume  0.70400E+00 ppm1      8.402 ppm2      2.680
 ASSI { 2811}
   (( segid "IL13" and resid 93   and name HN  ))
   (( segid "IL13" and resid 91   and name HA  ))
      5.000     5.000     0.000 peak  2811 weight  0.10000E+01 volume  0.24000E+00 ppm1      9.423 ppm2      4.549
 ASSI { 4400}
   (( segid "IL13" and resid 79   and name HA  ))
   (( segid "IL13" and resid 79   and name HG1 ))
      5.000     5.000     0.000 peak  4400 weight  0.10000E+01 volume  0.51800E+00 ppm1      4.317 ppm2      2.182
 ASSI { 5437}
   (( segid "IL13" and resid 51   and name HG  ))
   (  segid "IL13" and resid 95   and name HE% )
      5.000     5.000     0.000 peak  5437 weight  0.10000E+01 volume -0.58300E+00 ppm1      1.787 ppm2      7.419
 ASSI { 4776}
   (( segid "IL13" and resid 45   and name HA  ))
   (( segid "IL13" and resid 48   and name HB1 ))
      5.000     5.000     0.000 peak  4776 weight  0.10000E+01 volume  0.70900E+00 ppm1      4.463 ppm2      2.237
 ASSI { 4664}
   (  segid "IL13" and resid 46   and name HB% )
   (  segid "IL13" and resid 37   and name HG2%)
      5.000     5.000     0.000 peak  4664 weight  0.10000E+01 volume  0.32500E+00 ppm1      1.455 ppm2      0.965
 ASSI { 6298}
   (( segid "IL13" and resid 22   and name HE21))
   (  segid "IL13" and resid 18   and name HG2%)
      5.000     5.000     0.000 peak  6298 weight  0.10000E+01 volume  0.80300E+00 ppm1      7.501 ppm2      0.869
 ASSI { 6283}
   (( segid "IL13" and resid 40   and name HN  ))
   (( segid "IL13" and resid 43   and name HG2 ))
      5.000     5.000     0.000 peak  6283 weight  0.10000E+01 volume  0.80900E+00 ppm1      7.442 ppm2      1.974
 OR { 6283}
   (( segid "IL13" and resid 40   and name HN  ))
   (( segid "IL13" and resid 43   and name HG1 ))
 ASSI { 6187}
   (( segid "IL13" and resid 64   and name HE21))
   (( segid "IL13" and resid 52   and name HA  ))
      3.500     3.500     0.000 peak  6187 weight  0.10000E+01 volume  0.19250E+01 ppm1      6.979 ppm2      4.169
 ASSI { 6202}
   (( segid "IL13" and resid 64   and name HE21))
   (( segid "IL13" and resid 51   and name HB2 ))
      5.000     5.000     0.000 peak  6202 weight  0.10000E+01 volume  0.59400E+00 ppm1      6.979 ppm2      1.416
 ASSI { 5704}
   (( segid "IL13" and resid 104  and name HN  ))
   (( segid "IL13" and resid 103  and name HA  ))
      5.000     5.000     0.000 peak  5704 weight  0.10000E+01 volume  0.99900E+00 ppm1      8.628 ppm2      3.928
 ASSI { 2896}
   (( segid "IL13" and resid 79   and name HE22))
   (( segid "IL13" and resid 79   and name HB1 ))
      5.000     5.000     0.000 peak  2896 weight  0.10000E+01 volume  0.22700E+00 ppm1      6.847 ppm2      1.980
 OR { 2896}
   (( segid "IL13" and resid 79   and name HE22))
   (( segid "IL13" and resid 79   and name HB2 ))
 ASSI { 3186}
   (( segid "IL13" and resid 9    and name HN  ))
   (( segid "IL13" and resid 6    and name HB2 ))
      5.000     5.000     0.000 peak  3186 weight  0.10000E+01 volume  0.19500E+00 ppm1      8.052 ppm2      1.911
 ASSI { 2715}
   (( segid "IL13" and resid 16   and name HN  ))
   (( segid "IL13" and resid 19   and name HB2 ))
      5.000     5.000     0.000 peak  2715 weight  0.10000E+01 volume  0.25900E+00 ppm1      7.829 ppm2      3.102
 OR { 2715}
   (( segid "IL13" and resid 16   and name HN  ))
   (( segid "IL13" and resid 19   and name HB1 ))
 ASSI { 3468}
   (( segid "IL13" and resid 23   and name HD21))
   (( segid "IL13" and resid 22   and name HB2 ))
      5.000     5.000     0.000 peak  3468 weight  0.10000E+01 volume  0.17300E+00 ppm1      7.748 ppm2      2.134
 ASSI { 3021}
   (( segid "IL13" and resid 23   and name HD22))
   (( segid "IL13" and resid 22   and name HB2 ))
      5.000     5.000     0.000 peak  3021 weight  0.10000E+01 volume  0.21300E+00 ppm1      6.997 ppm2      2.137
 OR { 3021}
   (( segid "IL13" and resid 23   and name HD22))
   (( segid "IL13" and resid 22   and name HB1 ))
 ASSI { 3200}
   (( segid "IL13" and resid 41   and name HN  ))
   (  segid "IL13" and resid 40   and name HG2%)
      5.000     5.000     0.000 peak  3200 weight  0.10000E+01 volume  0.19400E+00 ppm1      8.139 ppm2      1.126
 ASSI { 2471}
   (( segid "IL13" and resid 60   and name HN  ))
   (  segid "IL13" and resid 28   and name HD2%)
      5.000     5.000     0.000 peak  2471 weight  0.10000E+01 volume  0.32200E+00 ppm1      7.055 ppm2      0.826
 ASSI { 2865}
   (( segid "IL13" and resid 70   and name HN  ))
   (( segid "IL13" and resid 71   and name HB2 ))
      5.000     5.000     0.000 peak  2865 weight  0.10000E+01 volume  0.23100E+00 ppm1      7.494 ppm2      2.463
 ASSI { 2938}
   (( segid "IL13" and resid 101  and name HN  ))
   (( segid "IL13" and resid 102  and name HB1 ))
      5.000     5.000     0.000 peak  2938 weight  0.10000E+01 volume  0.22200E+00 ppm1      7.825 ppm2      3.128
 OR { 2938}
   (( segid "IL13" and resid 101  and name HN  ))
   (( segid "IL13" and resid 102  and name HB2 ))
 ASSI { 4086}
   (( segid "IL13" and resid 45   and name HA  ))
   (( segid "IL13" and resid 48   and name HB2 ))
      5.000     5.000     0.000 peak  4086 weight  0.10000E+01 volume  0.51300E+00 ppm1      4.466 ppm2      1.631
 OR { 4086}
   (( segid "IL13" and resid 45   and name HA  ))
   (( segid "IL13" and resid 48   and name HG  ))
 ASSI { 5487}
   (( segid "IL13" and resid 45   and name HA  ))
   (  segid "IL13" and resid 48   and name HD2%)
      5.000     5.000     0.000 peak  5487 weight  0.10000E+01 volume  0.53500E+00 ppm1      4.465 ppm2      1.051
 ASSI { 4397}
   (( segid "IL13" and resid 47   and name HA  ))
   (  segid "IL13" and resid 67   and name HD1%)
      5.000     5.000     0.000 peak  4397 weight  0.10000E+01 volume  0.59800E+00 ppm1      4.366 ppm2      0.886
 ASSI { 4116}
   (  segid "IL13" and resid 54   and name HG2%)
   (  segid "IL13" and resid 96   and name HG2%)
      5.000     5.000     0.000 peak  4116 weight  0.10000E+01 volume -0.51700E+00 ppm1      0.809 ppm2      1.140
 ASSI { 5306}
   (  segid "IL13" and resid 75   and name HG2%)
   (( segid "IL13" and resid 48   and name HG  ))
      5.000     5.000     0.000 peak  5306 weight  0.10000E+01 volume -0.19600E+00 ppm1      1.017 ppm2      1.628
 ASSI { 3707}
   (( segid "IL13" and resid 104  and name HE2 ))
   (  segid "IL13" and resid 100  and name HD2%)
      5.000     5.000     0.000 peak  3707 weight  0.10000E+01 volume -0.58500E+00 ppm1      2.851 ppm2      0.871
 OR { 3707}
   (( segid "IL13" and resid 104  and name HE1 ))
   (  segid "IL13" and resid 100  and name HD2%)
 ASSI { 5263}
   (( segid "IL13" and resid 48   and name HA  ))
   (  segid "IL13" and resid 67   and name HD1%)
      3.500     3.500     0.000 peak  5263 weight  0.10000E+01 volume -0.11890E+01 ppm1      4.113 ppm2      0.856
 ASSI {  363}
   (  segid "IL13" and resid 39   and name HD1%)
   (( segid "IL13" and resid 99   and name HA  ))
      5.000     5.000     0.000 peak   363 weight  0.10000E+01 volume -0.26000E+00 ppm1      0.665 ppm2      3.904
 ASSI { 4478}
   (  segid "IL13" and resid 101  and name HD1%)
   (( segid "IL13" and resid 105  and name HD2 ))
      5.000     5.000     0.000 peak  4478 weight  0.10000E+01 volume  0.28300E+00 ppm1      0.983 ppm2      1.653
 ASSI { 6286}
   (( segid "IL13" and resid 43   and name HB1 ))
   (( segid "IL13" and resid 40   and name HN  ))
      5.000     5.000     0.000 peak  6286 weight  0.10000E+01 volume -0.77500E+00 ppm1      2.262 ppm2      7.474
 ASSI { 6294}
   (( segid "IL13" and resid 22   and name HE22))
   (  segid "IL13" and resid 18   and name HG2%)
      5.000     5.000     0.000 peak  6294 weight  0.10000E+01 volume  0.10750E+01 ppm1      6.843 ppm2      0.863
 ASSI { 6132}
   (( segid "IL13" and resid 29   and name HN  ))
   (  segid "IL13" and resid 28   and name HD1%)
      3.500     3.500     0.000 peak  6132 weight  0.10000E+01 volume  0.15570E+01 ppm1      9.706 ppm2      0.913
 ASSI { 2229}
   (( segid "IL13" and resid 64   and name HE22))
   (  segid "IL13" and resid 60   and name HD1%)
      3.500     3.500     0.000 peak  2229 weight  0.10000E+01 volume  0.13960E+01 ppm1      6.879 ppm2      0.951
 ASSI { 2342}
   (( segid "IL13" and resid 34   and name HN  ))
   (( segid "IL13" and resid 90   and name HG12))
      5.000     5.000     0.000 peak  2342 weight  0.10000E+01 volume  0.35900E+00 ppm1      9.235 ppm2      1.234
 ASSI { 1856}
   (( segid "IL13" and resid 36   and name HN  ))
   (  segid "IL13" and resid 90   and name HD1%)
      3.500     3.500     0.000 peak  1856 weight  0.10000E+01 volume  0.74100E+00 ppm1      8.778 ppm2      0.954
 OR { 1856}
   (( segid "IL13" and resid 36   and name HN  ))
   (  segid "IL13" and resid 90   and name HG2%)
 ASSI { 2948}
   (( segid "IL13" and resid 39   and name HN  ))
   (  segid "IL13" and resid 40   and name HG2%)
      5.000     5.000     0.000 peak  2948 weight  0.10000E+01 volume  0.22000E+00 ppm1      8.469 ppm2      1.122
 ASSI { 2006}
   (( segid "IL13" and resid 48   and name HN  ))
   (  segid "IL13" and resid 46   and name HB% )
      5.000     5.000     0.000 peak  2006 weight  0.10000E+01 volume  0.56600E+00 ppm1      8.135 ppm2      1.472
 ASSI { 3097}
   (( segid "IL13" and resid 49   and name HN  ))
   (  segid "IL13" and resid 46   and name HB% )
      5.000     5.000     0.000 peak  3097 weight  0.10000E+01 volume  0.20300E+00 ppm1      8.509 ppm2      1.469
 ASSI { 2876}
   (( segid "IL13" and resid 50   and name HN  ))
   (  segid "IL13" and resid 46   and name HB% )
      5.000     5.000     0.000 peak  2876 weight  0.10000E+01 volume  0.22900E+00 ppm1      7.871 ppm2      1.465
 ASSI {  391}
   (( segid "IL13" and resid 50   and name HN  ))
   (( segid "IL13" and resid 51   and name HG  ))
      5.000     5.000     0.000 peak   391 weight  0.10000E+01 volume  0.19000E+00 ppm1      7.869 ppm2      1.771
 ASSI { 2754}
   (( segid "IL13" and resid 69   and name HN  ))
   (( segid "IL13" and resid 70   and name HB2 ))
      5.000     5.000     0.000 peak  2754 weight  0.10000E+01 volume  0.25000E+00 ppm1      7.507 ppm2      2.617
 ASSI { 2184}
   (( segid "IL13" and resid 84   and name HN  ))
   (( segid "IL13" and resid 83   and name HB2 ))
      5.000     5.000     0.000 peak  2184 weight  0.10000E+01 volume  0.44000E+00 ppm1      7.904 ppm2      1.497
 ASSI { 2234}
   (( segid "IL13" and resid 88   and name HN  ))
   (( segid "IL13" and resid 35   and name HE3 ))
      5.000     5.000     0.000 peak  2234 weight  0.10000E+01 volume  0.41200E+00 ppm1      8.402 ppm2      7.443
 ASSI { 2256}
   (( segid "IL13" and resid 90   and name HN  ))
   (( segid "IL13" and resid 89   and name HG1 ))
      5.000     5.000     0.000 peak  2256 weight  0.10000E+01 volume  0.39900E+00 ppm1      9.251 ppm2      0.836
 ASSI { 3118}
   (( segid "IL13" and resid 92   and name HN  ))
   (( segid "IL13" and resid 32   and name HB2 ))
      5.000     5.000     0.000 peak  3118 weight  0.10000E+01 volume  0.20100E+00 ppm1      8.619 ppm2      3.834
 OR { 3118}
   (( segid "IL13" and resid 92   and name HN  ))
   (( segid "IL13" and resid 32   and name HB1 ))
 ASSI { 1432}
   (( segid "IL13" and resid 100  and name HN  ))
   (( segid "IL13" and resid 100  and name HB2 ))
      3.500     3.500     0.000 peak  1432 weight  0.10000E+01 volume  0.16080E+01 ppm1      8.587 ppm2      1.619
 ASSI { 3228}
   (( segid "IL13" and resid 109  and name HN  ))
   (( segid "IL13" and resid 107  and name HB1 ))
      5.000     5.000     0.000 peak  3228 weight  0.10000E+01 volume  0.19000E+00 ppm1      7.951 ppm2      3.157
 OR { 3228}
   (( segid "IL13" and resid 109  and name HN  ))
   (( segid "IL13" and resid 107  and name HB2 ))
 ASSI { 1571}
   (( segid "IL13" and resid 111  and name HN  ))
   (( segid "IL13" and resid 112  and name HN  ))
      3.500     3.500     0.000 peak  1571 weight  0.10000E+01 volume  0.11860E+01 ppm1      7.761 ppm2      7.927
 ASSI { 2048}
   (( segid "IL13" and resid 112  and name HN  ))
   (( segid "IL13" and resid 111  and name HB2 ))
      5.000     5.000     0.000 peak  2048 weight  0.10000E+01 volume  0.53800E+00 ppm1      7.968 ppm2      1.626
 ASSI { 5500}
   (( segid "IL13" and resid 100  and name HG  ))
   (( segid "IL13" and resid 18   and name HA  ))
      5.000     5.000     0.000 peak  5500 weight  0.10000E+01 volume -0.63300E+00 ppm1      0.895 ppm2      3.363
 OR { 5500}
   (  segid "IL13" and resid 100  and name HD2%)
   (( segid "IL13" and resid 18   and name HA  ))
 ASSI { 3944}
   (( segid "IL13" and resid 15   and name HA  ))
   (  segid "IL13" and resid 18   and name HG1%)
      5.000     5.000     0.000 peak  3944 weight  0.10000E+01 volume  0.10120E+01 ppm1      3.849 ppm2      1.052
 ASSI { 3723}
   (  segid "IL13" and resid 14   and name HG2%)
   (  segid "IL13" and resid 18   and name HG1%)
      3.500     3.500     0.000 peak  3723 weight  0.10000E+01 volume  0.10500E+01 ppm1      0.734 ppm2      1.037
 ASSI { 5433}
   (( segid "IL13" and resid 8    and name HA  ))
   (( segid "IL13" and resid 11   and name HB1 ))
      3.500     3.500     0.000 peak  5433 weight  0.10000E+01 volume -0.13070E+01 ppm1      3.991 ppm2      2.031
 ASSI { 6248}
   (  segid "IL13" and resid 51   and name HD2%)
   (  segid "IL13" and resid 95   and name HE% )
      3.500     3.500     0.000 peak  6248 weight  0.10000E+01 volume -0.12150E+01 ppm1      0.592 ppm2      7.386
 ASSI { 6118}
   (( segid "IL13" and resid 15   and name HN  ))
   (  segid "IL13" and resid 18   and name HG1%)
      5.000     5.000     0.000 peak  6118 weight  0.10000E+01 volume  0.64500E+00 ppm1      8.254 ppm2      1.057
 ASSI { 2268}
   (( segid "IL13" and resid 16   and name HN  ))
   (( segid "IL13" and resid 14   and name HB  ))
      5.000     5.000     0.000 peak  2268 weight  0.10000E+01 volume  0.38900E+00 ppm1      7.833 ppm2      1.819
 OR { 2268}
   (( segid "IL13" and resid 16   and name HN  ))
   (( segid "IL13" and resid 14   and name HG11))
 ASSI { 1788}
   (( segid "IL13" and resid 17   and name HN  ))
   (( segid "IL13" and resid 16   and name HB2 ))
      3.500     3.500     0.000 peak  1788 weight  0.10000E+01 volume  0.81000E+00 ppm1      8.306 ppm2      1.989
 ASSI { 1841}
   (( segid "IL13" and resid 28   and name HN  ))
   (( segid "IL13" and resid 27   and name HB1 ))
      3.500     3.500     0.000 peak  1841 weight  0.10000E+01 volume  0.75100E+00 ppm1      8.392 ppm2      2.341
 ASSI { 2991}
   (( segid "IL13" and resid 51   and name HN  ))
   (  segid "IL13" and resid 48   and name HD1%)
      5.000     5.000     0.000 peak  2991 weight  0.10000E+01 volume  0.21600E+00 ppm1      8.046 ppm2      1.074
 ASSI { 1656}
   (( segid "IL13" and resid 57   and name HN  ))
   (  segid "IL13" and resid 54   and name HG1%)
      3.500     3.500     0.000 peak  1656 weight  0.10000E+01 volume  0.10180E+01 ppm1      8.642 ppm2      0.965
 ASSI { 2281}
   (( segid "IL13" and resid 99   and name HN  ))
   (( segid "IL13" and resid 99   and name HG  ))
      5.000     5.000     0.000 peak  2281 weight  0.10000E+01 volume  0.38500E+00 ppm1      8.168 ppm2      1.469
 ASSI { 2001}
   (( segid "IL13" and resid 110  and name HN  ))
   (( segid "IL13" and resid 109  and name HB2 ))
      5.000     5.000     0.000 peak  2001 weight  0.10000E+01 volume  0.56900E+00 ppm1      7.764 ppm2      2.029
 ASSI { 1943}
   (( segid "IL13" and resid 111  and name HN  ))
   (( segid "IL13" and resid 107  and name HA  ))
      5.000     5.000     0.000 peak  1943 weight  0.10000E+01 volume  0.63400E+00 ppm1      7.765 ppm2      4.136
! EZE rm ??
!ASSI { 6191}
!  (( segid "IL13" and resid 86   and name HN  ))
!  (( segid "IL13" and resid 86   and name HG1 ))
!     5.000     5.000     0.000 peak  6191 weight  0.10000E+01 volume  0.72600E+00 ppm1      6.877 ppm2      2.147
!ASSI { 4133}
!  (( segid "IL13" and resid 106  and name HG  ))
!  (( segid "IL13" and resid 106  and name HA  ))
!     5.000     5.000     0.000 peak  4133 weight  0.10000E+01 volume -0.75900E+00 ppm1      1.457 ppm2      3.974
 ASSI { 4456}
   (( segid "IL13" and resid 20   and name HG11))
   (( segid "IL13" and resid 17   and name HA  ))
      5.000     5.000     0.000 peak  4456 weight  0.10000E+01 volume -0.55700E+00 ppm1      1.775 ppm2      4.121
! EZE rm ??
!ASSI { 3845}
!  (  segid "IL13" and resid 14   and name HD1%)
!  (( segid "IL13" and resid 10   and name HG  ))
!     5.000     5.000     0.000 peak  3845 weight  0.10000E+01 volume  0.27000E+00 ppm1      0.605 ppm2      1.386
 ASSI { 4119}
   (( segid "IL13" and resid 34   and name HA  ))
   (( segid "IL13" and resid 89   and name HG1 ))
      5.000     5.000     0.000 peak  4119 weight  0.10000E+01 volume  0.47800E+00 ppm1      4.444 ppm2      0.815
 ASSI { 4153}
   (( segid "IL13" and resid 54   and name HB  ))
   (  segid "IL13" and resid 54   and name HG1%)
      3.500     3.500     0.000 peak  4153 weight  0.10000E+01 volume -0.30990E+01 ppm1      2.154 ppm2      0.969
 ASSI { 3716}
   (( segid "IL13" and resid 95   and name HB1 ))
   (  segid "IL13" and resid 90   and name HD1%)
      5.000     5.000     0.000 peak  3716 weight  0.10000E+01 volume -0.49800E+00 ppm1      3.450 ppm2      0.944
! EZE rm ??
!ASSI { 5171}
!  (  segid "IL13" and resid 106  and name HD1%)
!  (( segid "IL13" and resid 106  and name HG  ))
!     3.500     3.500     0.000 peak  5171 weight  0.10000E+01 volume  0.13360E+01 ppm1      1.003 ppm2      1.992
!OR { 5171}
!  (  segid "IL13" and resid 106  and name HD2%)
!  (( segid "IL13" and resid 106  and name HG  ))
!ASSI { 4625}
!  (( segid "IL13" and resid 97   and name HG1 ))
!  (( segid "IL13" and resid 94   and name HA  ))
!     3.500     3.500     0.000 peak  4625 weight  0.10000E+01 volume -0.15660E+01 ppm1      1.497 ppm2      3.990
 ASSI { 4527}
   (( segid "IL13" and resid 65   and name HD1 ))
   (( segid "IL13" and resid 65   and name HB1 ))
      3.500     3.500     0.000 peak  4527 weight  0.10000E+01 volume  0.37350E+01 ppm1      3.291 ppm2      2.039
 ASSI { 6000}
   (  segid "IL13" and resid 66   and name HE% )
   (( segid "IL13" and resid 12   and name HA  ))
      5.000     5.000     0.000 peak  6000 weight  0.10000E+01 volume  0.34900E+00 ppm1      2.103 ppm2      4.012
! EZE rm ??
!ASSI { 6200}
!  (  segid "IL13" and resid 106  and name HD2%)
!  (  segid "IL13" and resid 70   and name HD% )
!     5.000     5.000     0.000 peak  6200 weight  0.10000E+01 volume -0.60900E+00 ppm1      0.813 ppm2      6.899
 ASSI {  284}
   (( segid "IL13" and resid 97   and name HE1 ))
   (( segid "IL13" and resid 97   and name HN  ))
      5.000     5.000     0.000 peak   284 weight  0.10000E+01 volume -0.88200E+00 ppm1      2.992 ppm2      7.696
 OR {  284}
   (( segid "IL13" and resid 97   and name HE2 ))
   (( segid "IL13" and resid 97   and name HN  ))
! EZE rm, think was 99intra
!ASSI {  153}
!  (  segid "IL13" and resid 67   and name HD1%)
!  (( segid "IL13" and resid 48   and name HN  ))
!     5.000     5.000     0.000 peak   153 weight  0.10000E+01 volume -0.82600E+00 ppm1      0.868 ppm2      8.139
 ASSI { 6223}
   (( segid "IL13" and resid 55   and name HB2 ))
   (( segid "IL13" and resid 57   and name HN  ))
      5.000     5.000     0.000 peak  6223 weight  0.10000E+01 volume  0.69400E+00 ppm1      3.821 ppm2      8.632
 OR { 6223}
   (( segid "IL13" and resid 55   and name HB1 ))
   (( segid "IL13" and resid 57   and name HN  ))
! EZE rm, no way in noesy150
!ASSI { 6227}
!  (( segid "IL13" and resid 68   and name HN  ))
!  (( segid "IL13" and resid 64   and name HA  ))
!     5.000     5.000     0.000 peak  6227 weight  0.10000E+01 volume  0.95100E+00 ppm1      7.992 ppm2      3.703
 ASSI { 6119}
   (( segid "IL13" and resid 68   and name HN  ))
   (  segid "IL13" and resid 67   and name HD1%)
      5.000     5.000     0.000 peak  6119 weight  0.10000E+01 volume  0.65000E+00 ppm1      7.989 ppm2      0.863
 ASSI { 5936}
   (( segid "IL13" and resid 94   and name HE22))
   (  segid "IL13" and resid 90   and name HD1%)
      5.000     5.000     0.000 peak  5936 weight  0.10000E+01 volume  0.65800E+00 ppm1      6.929 ppm2      0.956
 ASSI { 6127}
   (( segid "IL13" and resid 104  and name HN  ))
   (  segid "IL13" and resid 103  and name HD1%)
      5.000     5.000     0.000 peak  6127 weight  0.10000E+01 volume  0.12570E+01 ppm1      8.625 ppm2      0.758
! EZE rm ??
!ASSI { 2330}
!  (( segid "IL13" and resid 81   and name HN  ))
!  (( segid "IL13" and resid 81   and name HB1 ))
!     5.000     5.000     0.000 peak  2330 weight  0.10000E+01 volume  0.36300E+00 ppm1      7.972 ppm2      3.929
!OR { 2330}
!  (( segid "IL13" and resid 81   and name HN  ))
!  (( segid "IL13" and resid 81   and name HA  ))
!ASSI { 2175}
!  (( segid "IL13" and resid 10   and name HN  ))
!  (  segid "IL13" and resid 107  and name HE% )
!     5.000     5.000     0.000 peak  2175 weight  0.10000E+01 volume  0.44600E+00 ppm1      8.627 ppm2      6.863
 ASSI { 2386}
   (( segid "IL13" and resid 11   and name HN  ))
   (( segid "IL13" and resid 9    and name HA  ))
      5.000     5.000     0.000 peak  2386 weight  0.10000E+01 volume  0.34600E+00 ppm1      8.234 ppm2      4.211
 ASSI { 3038}
   (( segid "IL13" and resid 13   and name HN  ))
   (  segid "IL13" and resid 9    and name HB% )
      5.000     5.000     0.000 peak  3038 weight  0.10000E+01 volume  0.21000E+00 ppm1      7.893 ppm2      1.379
 ASSI { 2377}
   (( segid "IL13" and resid 15   and name HN  ))
   (( segid "IL13" and resid 11   and name HG1 ))
      5.000     5.000     0.000 peak  2377 weight  0.10000E+01 volume  0.35000E+00 ppm1      8.262 ppm2      1.523
 OR { 2377}
   (( segid "IL13" and resid 15   and name HN  ))
   (( segid "IL13" and resid 11   and name HG2 ))
 ASSI { 2081}
   (( segid "IL13" and resid 16   and name HN  ))
   (  segid "IL13" and resid 18   and name HG1%)
      5.000     5.000     0.000 peak  2081 weight  0.10000E+01 volume  0.50200E+00 ppm1      7.829 ppm2      1.051
 ASSI { 1320}
   (( segid "IL13" and resid 19   and name HN  ))
   (( segid "IL13" and resid 18   and name HB  ))
      3.500     3.500     0.000 peak  1320 weight  0.10000E+01 volume  0.23240E+01 ppm1      8.055 ppm2      2.202
 ASSI { 2194}
   (( segid "IL13" and resid 20   and name HN  ))
   (  segid "IL13" and resid 21   and name HG2%)
      5.000     5.000     0.000 peak  2194 weight  0.10000E+01 volume  0.43300E+00 ppm1      8.202 ppm2      1.289
 ASSI { 2070}
   (( segid "IL13" and resid 22   and name HN  ))
   (  segid "IL13" and resid 18   and name HG2%)
      5.000     5.000     0.000 peak  2070 weight  0.10000E+01 volume  0.51000E+00 ppm1      7.949 ppm2      0.868
 ASSI { 2647}
   (( segid "IL13" and resid 34   and name HN  ))
   (( segid "IL13" and resid 89   and name HA  ))
      5.000     5.000     0.000 peak  2647 weight  0.10000E+01 volume  0.27200E+00 ppm1      9.242 ppm2      4.858
 ASSI { 3347}
   (( segid "IL13" and resid 41   and name HN  ))
   (( segid "IL13" and resid 39   and name HA  ))
      5.000     5.000     0.000 peak  3347 weight  0.10000E+01 volume  0.18200E+00 ppm1      8.136 ppm2      3.954
 ASSI { 2152}
   (( segid "IL13" and resid 44   and name HN  ))
   (  segid "IL13" and resid 43   and name HE% )
      5.000     5.000     0.000 peak  2152 weight  0.10000E+01 volume  0.45500E+00 ppm1      7.559 ppm2      1.467
 ASSI { 3027}
   (( segid "IL13" and resid 44   and name HN  ))
   (  segid "IL13" and resid 67   and name HD2%)
      5.000     5.000     0.000 peak  3027 weight  0.10000E+01 volume  0.21200E+00 ppm1      7.564 ppm2      1.107
 ASSI { 2093}
   (( segid "IL13" and resid 46   and name HN  ))
   (  segid "IL13" and resid 47   and name HB% )
      5.000     5.000     0.000 peak  2093 weight  0.10000E+01 volume  0.49300E+00 ppm1      8.291 ppm2      1.629
 ASSI { 2294}
   (( segid "IL13" and resid 50   and name HN  ))
   (  segid "IL13" and resid 52   and name HG2%)
      5.000     5.000     0.000 peak  2294 weight  0.10000E+01 volume  0.37700E+00 ppm1      7.877 ppm2      0.938
 ASSI { 1458}
   (( segid "IL13" and resid 64   and name HN  ))
   (  segid "IL13" and resid 63   and name HG2%)
      3.500     3.500     0.000 peak  1458 weight  0.10000E+01 volume  0.14970E+01 ppm1      8.168 ppm2      0.989
 ASSI { 3114}
   (( segid "IL13" and resid 66   and name HN  ))
   (( segid "IL13" and resid 67   and name HB2 ))
      5.000     5.000     0.000 peak  3114 weight  0.10000E+01 volume  0.20200E+00 ppm1      9.091 ppm2      1.549
! EZE rm I'm sure this is 67HD1,2 (better alignment)
!ASSI { 2885}
!  (( segid "IL13" and resid 69   and name HN  ))
!  (  segid "IL13" and resid 48   and name HD2%)
!     5.000     5.000     0.000 peak  2885 weight  0.10000E+01 volume  0.22800E+00 ppm1      7.503 ppm2      1.051
!OR { 2885}
!  (( segid "IL13" and resid 69   and name HN  ))
!  (  segid "IL13" and resid 48   and name HD1%)
 ASSI { 2814}
   (( segid "IL13" and resid 89   and name HN  ))
   (  segid "IL13" and resid 33   and name HE% )
      5.000     5.000     0.000 peak  2814 weight  0.10000E+01 volume  0.23900E+00 ppm1      8.519 ppm2      1.906
 ASSI { 3123}
   (( segid "IL13" and resid 92   and name HN  ))
   (( segid "IL13" and resid 34   and name HN  ))
      5.000     5.000     0.000 peak  3123 weight  0.10000E+01 volume  0.20100E+00 ppm1      8.612 ppm2      9.235
 ASSI { 2319}
   (( segid "IL13" and resid 94   and name HE21))
   (  segid "IL13" and resid 90   and name HD1%)
      5.000     5.000     0.000 peak  2319 weight  0.10000E+01 volume  0.36800E+00 ppm1      8.038 ppm2      0.955
 ASSI { 2761}
   (( segid "IL13" and resid 97   and name HN  ))
   (  segid "IL13" and resid 99   and name HD2%)
      5.000     5.000     0.000 peak  2761 weight  0.10000E+01 volume  0.24900E+00 ppm1      7.710 ppm2      0.863
 ASSI { 1608}
   (( segid "IL13" and resid 100  and name HN  ))
   (  segid "IL13" and resid 99   and name HD2%)
      3.500     3.500     0.000 peak  1608 weight  0.10000E+01 volume  0.11160E+01 ppm1      8.584 ppm2      0.850
! EZE rm ??
!ASSI { 3454}
!  (( segid "IL13" and resid 106  and name HN  ))
!  (  segid "IL13" and resid 106  and name HD2%)
!     5.000     5.000     0.000 peak  3454 weight  0.10000E+01 volume  0.17400E+00 ppm1      7.876 ppm2      0.590
!OR { 3454}
!  (( segid "IL13" and resid 106  and name HN  ))
!  (  segid "IL13" and resid 106  and name HD1%)
!OR { 3454}
!  (( segid "IL13" and resid 106  and name HN  ))
!  (( segid "IL13" and resid 106  and name HG  ))
 ASSI { 2080}
   (( segid "IL13" and resid 106  and name HN  ))
   (( segid "IL13" and resid 107  and name HB2 ))
      5.000     5.000     0.000 peak  2080 weight  0.10000E+01 volume  0.50200E+00 ppm1      7.875 ppm2      3.143
 OR { 2080}
   (( segid "IL13" and resid 106  and name HN  ))
   (( segid "IL13" and resid 107  and name HB1 ))
! EZE rm ??
!ASSI { 2252}
!  (( segid "IL13" and resid 107  and name HN  ))
!  (  segid "IL13" and resid 106  and name HD2%)
!     5.000     5.000     0.000 peak  2252 weight  0.10000E+01 volume  0.40200E+00 ppm1      8.689 ppm2      0.604
! EZE Put back into ambig.tbl(keeps coming up as different)
!ASSI { 2841}
!  (( segid "IL13" and resid 35   and name HE1 ))
!  (( segid "IL13" and resid 85   and name HA  ))
!     5.000     5.000     0.000 peak  2841 weight  0.10000E+01 volume  0.23500E+00 ppm1     10.081 ppm2      3.922

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1          HT1       GLY   1 193.907  10.013 -18.885
    2   2H    GLY   1          HT2       GLY   1 194.008   8.650 -19.881
    3   3H    GLY   1          HT3       GLY   1 193.966  10.195 -20.567
    4   1HA   GLY   1          HA1       GLY   1 196.199   9.577 -20.701
    5   2HA   GLY   1          HA2       GLY   1 196.094  10.675 -19.334
    6    H    GLY   2           HN       GLY   2 194.726   8.582 -17.704
    7   1HA   GLY   2          HA2       GLY   2 197.172   7.114 -16.977
    8   2HA   GLY   2          HA1       GLY   2 195.846   7.483 -15.885
    9    HA   PRO   3           HA       PRO   3 195.670   3.136 -18.115
   10   1HB   PRO   3          HB2       PRO   3 196.443   2.251 -15.380
   11   2HB   PRO   3          HB1       PRO   3 196.909   1.590 -16.951
   12   1HG   PRO   3          HG2       PRO   3 198.625   3.046 -15.530
   13   2HG   PRO   3          HG1       PRO   3 198.541   3.201 -17.295
   14   1HD   PRO   3          HD2       PRO   3 197.482   5.022 -15.177
   15   2HD   PRO   3          HD1       PRO   3 198.204   5.418 -16.750
   16    H    VAL   4           HN       VAL   4 194.457   1.182 -16.818
   17    HA   VAL   4           HA       VAL   4 191.855   1.931 -16.504
   18    HB   VAL   4           HB       VAL   4 191.673  -0.249 -15.153
   19   1HG1  VAL   4          1HG1      VAL   4 191.122  -0.049 -17.522
   20   2HG1  VAL   4          2HG1      VAL   4 191.894  -1.595 -17.172
   21   3HG1  VAL   4          3HG1      VAL   4 192.817  -0.301 -17.936
   22   1HG2  VAL   4          1HG2      VAL   4 194.279  -1.060 -16.230
   23   2HG2  VAL   4          2HG2      VAL   4 193.482  -1.513 -14.723
   24   3HG2  VAL   4          3HG2      VAL   4 194.341   0.023 -14.840
   25    HA   PRO   5           HA       PRO   5 191.359   3.680 -12.486
   26   1HB   PRO   5          HB2       PRO   5 188.992   2.607 -11.668
   27   2HB   PRO   5          HB1       PRO   5 189.109   3.875 -12.894
   28   1HG   PRO   5          HG2       PRO   5 188.779   0.921 -13.248
   29   2HG   PRO   5          HG1       PRO   5 187.968   2.248 -14.101
   30   1HD   PRO   5          HD2       PRO   5 190.037   0.892 -15.183
   31   2HD   PRO   5          HD1       PRO   5 189.769   2.619 -15.497
   32    HA   PRO   6           HA       PRO   6 192.701   0.990  -9.258
   33   1HB   PRO   6          HB2       PRO   6 191.295   1.806  -7.076
   34   2HB   PRO   6          HB1       PRO   6 192.620   2.742  -7.778
   35   1HG   PRO   6          HG2       PRO   6 189.666   3.079  -8.133
   36   2HG   PRO   6          HG1       PRO   6 190.912   4.317  -7.880
   37   1HD   PRO   6          HD2       PRO   6 189.889   3.775 -10.321
   38   2HD   PRO   6          HD1       PRO   6 191.576   4.279 -10.091
   39    H    SER   7           HN       SER   7 192.179  -1.107  -9.424
   40    HA   SER   7           HA       SER   7 189.445  -2.012  -9.306
   41   1HB   SER   7          HB2       SER   7 191.620  -2.975 -10.586
   42   2HB   SER   7          HB1       SER   7 191.644  -3.993  -9.146
   43    HG   SER   7           HG       SER   7 189.312  -3.614 -10.703
   44    H    THR   8           HN       THR   8 192.173  -1.811  -7.149
   45    HA   THR   8           HA       THR   8 191.433  -3.681  -5.216
   46    HB   THR   8           HB       THR   8 192.818  -1.031  -4.763
   47    HG1  THR   8           1HG      THR   8 194.344  -1.893  -5.889
   48   1HG2  THR   8          1HG2      THR   8 193.073  -1.619  -2.654
   49   2HG2  THR   8          2HG2      THR   8 193.865  -3.111  -3.162
   50   3HG2  THR   8          3HG2      THR   8 192.117  -3.074  -2.933
   51    H    ALA   9           HN       ALA   9 190.305  -0.416  -5.793
   52    HA   ALA   9           HA       ALA   9 188.997   0.051  -3.363
   53   1HB   ALA   9          HB1       ALA   9 189.437   1.644  -5.349
   54   2HB   ALA   9          HB2       ALA   9 187.967   1.855  -4.398
   55   3HB   ALA   9          HB3       ALA   9 187.896   1.045  -5.963
   56    H    LEU  10           HN       LEU  10 188.092  -1.848  -6.144
   57    HA   LEU  10           HA       LEU  10 185.335  -2.117  -5.480
   58   1HB   LEU  10          HB2       LEU  10 186.069  -2.467  -7.752
   59   2HB   LEU  10          HB1       LEU  10 187.158  -3.745  -7.251
   60    HG   LEU  10           HG       LEU  10 184.973  -4.418  -8.400
   61   1HD1  LEU  10          HD11      LEU  10 185.094  -5.826  -5.809
   62   2HD1  LEU  10          HD12      LEU  10 186.593  -5.743  -6.735
   63   3HD1  LEU  10          HD13      LEU  10 185.150  -6.459  -7.454
   64   1HD2  LEU  10          HD21      LEU  10 183.657  -2.822  -6.868
   65   2HD2  LEU  10          HD22      LEU  10 183.773  -4.113  -5.674
   66   3HD2  LEU  10          HD23      LEU  10 182.973  -4.409  -7.217
   67    H    ARG  11           HN       ARG  11 188.157  -4.248  -5.060
   68    HA   ARG  11           HA       ARG  11 186.856  -6.372  -3.826
   69   1HB   ARG  11          HB2       ARG  11 188.998  -7.076  -3.027
   70   2HB   ARG  11          HB1       ARG  11 189.240  -6.345  -4.607
   71   1HG   ARG  11          HG2       ARG  11 190.505  -4.680  -3.790
   72   2HG   ARG  11          HG1       ARG  11 189.535  -4.514  -2.326
   73   1HD   ARG  11          HD2       ARG  11 191.873  -5.308  -1.942
   74   2HD   ARG  11          HD1       ARG  11 190.621  -6.374  -1.305
   75    HE   ARG  11           HE       ARG  11 191.326  -7.999  -2.748
   76   1HH1  ARG  11          HH11      ARG  11 192.598  -4.930  -3.817
   77   2HH1  ARG  11          HH12      ARG  11 193.598  -5.630  -5.045
   78   1HH2  ARG  11          HH21      ARG  11 192.640  -8.922  -4.363
   79   2HH2  ARG  11          HH22      ARG  11 193.621  -7.897  -5.356
   80    H    GLU  12           HN       GLU  12 187.689  -3.243  -2.603
   81    HA   GLU  12           HA       GLU  12 187.602  -3.808   0.160
   82   1HB   GLU  12          HB2       GLU  12 187.448  -1.366  -1.527
   83   2HB   GLU  12          HB1       GLU  12 186.861  -1.238   0.125
   84   1HG   GLU  12          HG2       GLU  12 189.210  -2.469   0.559
   85   2HG   GLU  12          HG1       GLU  12 189.601  -1.553  -0.896
   86    H    LEU  13           HN       LEU  13 185.114  -2.375  -1.983
   87    HA   LEU  13           HA       LEU  13 183.091  -2.451   0.003
   88   1HB   LEU  13          HB2       LEU  13 183.289  -1.809  -2.862
   89   2HB   LEU  13          HB1       LEU  13 181.718  -2.398  -2.350
   90    HG   LEU  13           HG       LEU  13 182.598  -0.441  -0.471
   91   1HD1  LEU  13          HD11      LEU  13 183.568   1.171  -1.637
   92   2HD1  LEU  13          HD12      LEU  13 182.244   1.175  -2.801
   93   3HD1  LEU  13          HD13      LEU  13 183.621   0.098  -3.035
   94   1HD2  LEU  13          HD21      LEU  13 180.317  -0.965  -2.257
   95   2HD2  LEU  13          HD22      LEU  13 180.545   0.717  -1.778
   96   3HD2  LEU  13          HD23      LEU  13 180.348  -0.531  -0.548
   97    H    ILE  14           HN       ILE  14 184.240  -4.736  -2.359
   98    HA   ILE  14           HA       ILE  14 181.977  -6.439  -2.347
   99    HB   ILE  14           HB       ILE  14 184.665  -6.498  -3.486
  100   1HG1  ILE  14          2HG1      ILE  14 183.523  -7.378  -5.386
  101   2HG1  ILE  14          1HG1      ILE  14 182.161  -7.909  -4.406
  102   1HG2  ILE  14          1HG2      ILE  14 184.629  -9.000  -3.823
  103   2HG2  ILE  14          2HG2      ILE  14 183.453  -9.075  -2.510
  104   3HG2  ILE  14          3HG2      ILE  14 185.074  -8.449  -2.208
  105   1HD1  ILE  14          HD11      ILE  14 182.693  -5.032  -4.294
  106   2HD1  ILE  14          HD12      ILE  14 181.173  -5.906  -4.486
  107   3HD1  ILE  14          HD13      ILE  14 182.220  -5.642  -5.880
  108    H    GLU  15           HN       GLU  15 185.145  -6.774  -0.710
  109    HA   GLU  15           HA       GLU  15 184.356  -9.077   0.744
  110   1HB   GLU  15          HB2       GLU  15 186.578  -7.158   1.446
  111   2HB   GLU  15          HB1       GLU  15 186.433  -8.839   1.941
  112   1HG   GLU  15          HG2       GLU  15 186.577  -8.111  -0.953
  113   2HG   GLU  15          HG1       GLU  15 188.039  -8.224   0.026
  114    H    GLU  16           HN       GLU  16 184.311  -5.639   1.514
  115    HA   GLU  16           HA       GLU  16 183.768  -5.923   4.274
  116   1HB   GLU  16          HB2       GLU  16 184.568  -3.882   2.898
  117   2HB   GLU  16          HB1       GLU  16 182.864  -3.604   2.606
  118   1HG   GLU  16          HG2       GLU  16 182.752  -3.845   5.239
  119   2HG   GLU  16          HG1       GLU  16 184.433  -3.332   5.103
  120    H    LEU  17           HN       LEU  17 181.677  -5.319   1.483
  121    HA   LEU  17           HA       LEU  17 179.275  -5.302   3.000
  122   1HB   LEU  17          HB2       LEU  17 179.761  -5.596   0.037
  123   2HB   LEU  17          HB1       LEU  17 178.182  -5.390   0.768
  124    HG   LEU  17           HG       LEU  17 180.440  -3.390   0.812
  125   1HD1  LEU  17          HD11      LEU  17 178.793  -3.869  -1.243
  126   2HD1  LEU  17          HD12      LEU  17 179.389  -2.260  -0.837
  127   3HD1  LEU  17          HD13      LEU  17 177.785  -2.765  -0.309
  128   1HD2  LEU  17          HD21      LEU  17 177.719  -3.333   2.101
  129   2HD2  LEU  17          HD22      LEU  17 178.730  -1.906   1.869
  130   3HD2  LEU  17          HD23      LEU  17 179.290  -3.227   2.895
  131    H    VAL  18           HN       VAL  18 181.186  -7.734   1.417
  132    HA   VAL  18           HA       VAL  18 179.142  -9.701   1.401
  133    HB   VAL  18           HB       VAL  18 181.552  -9.559   0.175
  134   1HG1  VAL  18          1HG1      VAL  18 183.108 -11.104   0.984
  135   2HG1  VAL  18          2HG1      VAL  18 181.963 -11.777   2.146
  136   3HG1  VAL  18          3HG1      VAL  18 182.630 -10.164   2.397
  137   1HG2  VAL  18          1HG2      VAL  18 179.844 -11.967   0.721
  138   2HG2  VAL  18          2HG2      VAL  18 181.158 -11.955  -0.455
  139   3HG2  VAL  18          3HG2      VAL  18 179.775 -10.881  -0.667
  140    H    ASN  19           HN       ASN  19 181.646  -8.691   3.586
  141    HA   ASN  19           HA       ASN  19 181.478 -10.846   5.411
  142   1HB   ASN  19          HB2       ASN  19 183.379  -9.238   5.297
  143   2HB   ASN  19          HB1       ASN  19 182.328  -7.996   5.970
  144   1HD2  ASN  19          HD21      ASN  19 182.934  -7.643   7.978
  145   2HD2  ASN  19          HD22      ASN  19 183.266  -8.851   9.167
  146    H    ILE  20           HN       ILE  20 180.025  -7.569   5.462
  147    HA   ILE  20           HA       ILE  20 178.612  -7.915   7.851
  148    HB   ILE  20           HB       ILE  20 177.349  -5.987   7.206
  149   1HG1  ILE  20          2HG1      ILE  20 178.432  -6.505   4.445
  150   2HG1  ILE  20          1HG1      ILE  20 176.739  -6.475   4.938
  151   1HG2  ILE  20          1HG2      ILE  20 180.232  -5.844   6.391
  152   2HG2  ILE  20          2HG2      ILE  20 179.542  -5.510   7.979
  153   3HG2  ILE  20          3HG2      ILE  20 179.210  -4.427   6.628
  154   1HD1  ILE  20          HD11      ILE  20 178.631  -4.196   4.525
  155   2HD1  ILE  20          HD12      ILE  20 177.201  -4.013   5.541
  156   3HD1  ILE  20          HD13      ILE  20 177.026  -4.458   3.844
  157    H    THR  21           HN       THR  21 177.692  -8.527   4.480
  158    HA   THR  21           HA       THR  21 174.999  -9.246   5.137
  159    HB   THR  21           HB       THR  21 175.653  -8.356   2.919
  160    HG1  THR  21           1HG      THR  21 174.551 -10.966   2.828
  161   1HG2  THR  21          1HG2      THR  21 176.698 -11.050   2.183
  162   2HG2  THR  21          2HG2      THR  21 177.778  -9.813   2.825
  163   3HG2  THR  21          3HG2      THR  21 176.873  -9.509   1.343
  164    H    GLN  22           HN       GLN  22 178.025 -10.958   4.884
  165    HA   GLN  22           HA       GLN  22 176.734 -13.560   4.908
  166   1HB   GLN  22          HB2       GLN  22 179.624 -12.699   4.911
  167   2HB   GLN  22          HB1       GLN  22 179.134 -14.380   5.057
  168   1HG   GLN  22          HG2       GLN  22 177.924 -12.951   2.804
  169   2HG   GLN  22          HG1       GLN  22 179.677 -13.120   2.721
  170   1HE2  GLN  22          1HE2      GLN  22 178.973 -14.405   0.801
  171   2HE2  GLN  22          2HE2      GLN  22 178.666 -16.088   1.042
  172    H    ASN  23           HN       ASN  23 175.819 -12.372   7.077
  173    HA   ASN  23           HA       ASN  23 177.497 -13.274   9.313
  174   1HB   ASN  23          HB2       ASN  23 175.524 -11.083   8.969
  175   2HB   ASN  23          HB1       ASN  23 175.586 -11.860  10.545
  176   1HD2  ASN  23          HD21      ASN  23 177.605 -10.389   8.079
  177   2HD2  ASN  23          HD22      ASN  23 178.756  -9.704   9.164
  178    H    GLN  24           HN       GLN  24 176.261 -14.140  11.213
  179    HA   GLN  24           HA       GLN  24 174.920 -16.469  10.569
  180   1HB   GLN  24          HB2       GLN  24 175.545 -15.001  12.980
  181   2HB   GLN  24          HB1       GLN  24 173.984 -15.804  13.104
  182   1HG   GLN  24          HG2       GLN  24 176.638 -17.069  12.478
  183   2HG   GLN  24          HG1       GLN  24 175.669 -17.266  13.931
  184   1HE2  GLN  24          1HE2      GLN  24 176.648 -18.969  11.500
  185   2HE2  GLN  24          2HE2      GLN  24 175.256 -19.926  11.139
  186    H    LYS  25           HN       LYS  25 172.636 -16.919  11.681
  187    HA   LYS  25           HA       LYS  25 170.705 -15.782  10.025
  188   1HB   LYS  25          HB2       LYS  25 170.374 -17.182  12.684
  189   2HB   LYS  25          HB1       LYS  25 169.052 -16.816  11.583
  190   1HG   LYS  25          HG2       LYS  25 170.604 -18.134   9.884
  191   2HG   LYS  25          HG1       LYS  25 171.179 -18.866  11.383
  192   1HD   LYS  25          HD2       LYS  25 169.393 -20.217  10.541
  193   2HD   LYS  25          HD1       LYS  25 168.799 -19.358  11.964
  194   1HE   LYS  25          HE2       LYS  25 167.339 -18.110  10.767
  195   2HE   LYS  25          HE1       LYS  25 168.409 -18.006   9.370
  196   1HZ   LYS  25          HZ1       LYS  25 166.199 -19.464   9.399
  197   2HZ   LYS  25          HZ2       LYS  25 167.295 -20.630   9.945
  198   3HZ   LYS  25          HZ3       LYS  25 167.548 -19.863   8.459
  199    H    ALA  26           HN       ALA  26 171.832 -14.832  13.201
  200    HA   ALA  26           HA       ALA  26 169.754 -13.074  13.890
  201   1HB   ALA  26          HB1       ALA  26 171.226 -12.194  15.541
  202   2HB   ALA  26          HB2       ALA  26 172.648 -12.756  14.661
  203   3HB   ALA  26          HB3       ALA  26 171.559 -13.922  15.413
  204    HA   PRO  27           HA       PRO  27 170.489  -9.670  11.155
  205   1HB   PRO  27          HB2       PRO  27 169.022  -7.799  12.265
  206   2HB   PRO  27          HB1       PRO  27 168.250  -9.292  11.694
  207   1HG   PRO  27          HG2       PRO  27 169.279  -8.666  14.420
  208   2HG   PRO  27          HG1       PRO  27 167.617  -9.127  13.996
  209   1HD   PRO  27          HD2       PRO  27 169.368 -10.950  14.873
  210   2HD   PRO  27          HD1       PRO  27 168.265 -11.342  13.533
  211    H    LEU  28           HN       LEU  28 170.757  -7.067  11.619
  212    HA   LEU  28           HA       LEU  28 173.379  -6.885  12.788
  213   1HB   LEU  28          HB2       LEU  28 172.012  -5.526  10.800
  214   2HB   LEU  28          HB1       LEU  28 172.105  -4.354  12.100
  215    HG   LEU  28           HG       LEU  28 173.980  -3.997  10.674
  216   1HD1  LEU  28          HD11      LEU  28 175.898  -4.661  12.216
  217   2HD1  LEU  28          HD12      LEU  28 174.663  -5.386  13.245
  218   3HD1  LEU  28          HD13      LEU  28 174.620  -3.657  12.900
  219   1HD2  LEU  28          HD21      LEU  28 175.662  -5.886  10.375
  220   2HD2  LEU  28          HD22      LEU  28 174.170  -5.981   9.439
  221   3HD2  LEU  28          HD23      LEU  28 174.366  -6.966  10.889
  222    H    CYS  29           HN       CYS  29 173.836  -6.377  14.816
  223    HA   CYS  29           HA       CYS  29 173.706  -5.541  16.923
  224   1HB   CYS  29          HB2       CYS  29 172.219  -3.648  15.327
  225   2HB   CYS  29          HB1       CYS  29 171.516  -3.782  16.935
  226    H    ASN  30           HN       ASN  30 170.249  -5.147  16.241
  227    HA   ASN  30           HA       ASN  30 169.636  -7.577  17.724
  228   1HB   ASN  30          HB2       ASN  30 169.853  -5.517  19.294
  229   2HB   ASN  30          HB1       ASN  30 168.308  -5.031  18.603
  230   1HD2  ASN  30          HD21      ASN  30 166.485  -5.981  19.294
  231   2HD2  ASN  30          HD22      ASN  30 166.422  -7.243  20.472
  232    H    GLY  31           HN       GLY  31 169.268  -6.577  14.966
  233   1HA   GLY  31          HA2       GLY  31 167.656  -6.872  13.349
  234   2HA   GLY  31          HA1       GLY  31 166.591  -7.483  14.603
  235    H    SER  32           HN       SER  32 168.011  -4.330  14.940
  236    HA   SER  32           HA       SER  32 165.452  -3.096  15.127
  237   1HB   SER  32          HB2       SER  32 168.161  -1.777  14.860
  238   2HB   SER  32          HB1       SER  32 166.678  -1.018  15.439
  239    HG   SER  32           HG       SER  32 168.309  -2.933  16.691
  240    H    MET  33           HN       MET  33 164.215  -2.868  13.374
  241    HA   MET  33           HA       MET  33 165.054  -2.799  10.737
  242   1HB   MET  33          HB2       MET  33 162.559  -1.492  11.810
  243   2HB   MET  33          HB1       MET  33 162.825  -2.131  10.201
  244   1HG   MET  33          HG2       MET  33 163.256  -4.143  12.223
  245   2HG   MET  33          HG1       MET  33 161.649  -3.431  12.329
  246   1HE   MET  33          HE1       MET  33 160.272  -2.946  10.148
  247   2HE   MET  33          HE2       MET  33 159.634  -4.448  10.815
  248   3HE   MET  33          HE3       MET  33 159.926  -4.308   9.082
  249    H    VAL  34           HN       VAL  34 164.714  -0.992   9.196
  250    HA   VAL  34           HA       VAL  34 165.030   1.698  10.206
  251    HB   VAL  34           HB       VAL  34 167.140   2.047   8.830
  252   1HG1  VAL  34          1HG1      VAL  34 167.834   0.221  11.059
  253   2HG1  VAL  34          2HG1      VAL  34 166.826   1.618  11.436
  254   3HG1  VAL  34          3HG1      VAL  34 168.413   1.848  10.703
  255   1HG2  VAL  34          1HG2      VAL  34 166.799  -0.329   7.796
  256   2HG2  VAL  34          2HG2      VAL  34 167.682  -0.862   9.226
  257   3HG2  VAL  34          3HG2      VAL  34 168.426   0.277   8.105
  258    H    TRP  35           HN       TRP  35 165.286   3.267   8.302
  259    HA   TRP  35           HA       TRP  35 163.245   2.697   6.429
  260   1HB   TRP  35          HB2       TRP  35 165.314   4.889   6.279
  261   2HB   TRP  35          HB1       TRP  35 163.804   4.802   5.386
  262    HD1  TRP  35           HD1      TRP  35 165.037   6.802   7.918
  263    HE1  TRP  35           HE1      TRP  35 163.261   7.517   9.613
  264    HE3  TRP  35           HE3      TRP  35 161.452   3.306   6.887
  265    HZ2  TRP  35           HZ2      TRP  35 160.679   6.721  10.436
  266    HZ3  TRP  35           HZ3      TRP  35 159.357   3.353   8.175
  267    HH2  TRP  35           HH2      TRP  35 158.979   5.026   9.913
  268    H    SER  36           HN       SER  36 163.431   1.295   4.907
  269    HA   SER  36           HA       SER  36 165.521  -0.011   3.842
  270   1HB   SER  36          HB2       SER  36 162.899   0.031   3.257
  271   2HB   SER  36          HB1       SER  36 163.525   0.833   1.816
  272    HG   SER  36           HG       SER  36 164.478  -0.970   1.206
  273    H    ILE  37           HN       ILE  37 166.923   0.163   2.067
  274    HA   ILE  37           HA       ILE  37 168.082   2.653   1.651
  275    HB   ILE  37           HB       ILE  37 168.415   0.210  -0.088
  276   1HG1  ILE  37          2HG1      ILE  37 168.628  -0.431   2.295
  277   2HG1  ILE  37          1HG1      ILE  37 170.177  -0.502   1.462
  278   1HG2  ILE  37          1HG2      ILE  37 169.608   1.852  -1.074
  279   2HG2  ILE  37          2HG2      ILE  37 170.808   1.244   0.065
  280   3HG2  ILE  37          3HG2      ILE  37 169.895   2.703   0.439
  281   1HD1  ILE  37          HD11      ILE  37 170.383   0.470   3.686
  282   2HD1  ILE  37          HD12      ILE  37 169.249   1.743   3.235
  283   3HD1  ILE  37          HD13      ILE  37 170.812   1.630   2.429
  284    H    ASN  38           HN       ASN  38 168.411   3.705  -0.419
  285    HA   ASN  38           HA       ASN  38 166.022   3.572  -2.136
  286   1HB   ASN  38          HB2       ASN  38 166.696   5.717  -0.707
  287   2HB   ASN  38          HB1       ASN  38 167.748   6.006  -2.089
  288   1HD2  ASN  38          HD21      ASN  38 166.551   7.870  -2.586
  289   2HD2  ASN  38          HD22      ASN  38 165.008   7.768  -3.355
  290    H    LEU  39           HN       LEU  39 167.734   1.763  -2.814
  291    HA   LEU  39           HA       LEU  39 170.007   2.156  -4.234
  292   1HB   LEU  39          HB2       LEU  39 167.885   0.335  -5.317
  293   2HB   LEU  39          HB1       LEU  39 169.623   0.112  -5.321
  294    HG   LEU  39           HG       LEU  39 167.842  -0.036  -2.886
  295   1HD1  LEU  39          HD11      LEU  39 167.381  -2.024  -3.855
  296   2HD1  LEU  39          HD12      LEU  39 168.903  -2.462  -3.078
  297   3HD1  LEU  39          HD13      LEU  39 168.876  -2.043  -4.791
  298   1HD2  LEU  39          HD21      LEU  39 169.659  -0.121  -1.587
  299   2HD2  LEU  39          HD22      LEU  39 170.494   0.637  -2.942
  300   3HD2  LEU  39          HD23      LEU  39 170.551  -1.114  -2.736
  301    H    THR  40           HN       THR  40 166.904   3.295  -5.153
  302    HA   THR  40           HA       THR  40 166.871   3.361  -7.865
  303    HB   THR  40           HB       THR  40 165.029   4.286  -6.705
  304    HG1  THR  40           1HG      THR  40 166.304   6.501  -7.924
  305   1HG2  THR  40          1HG2      THR  40 165.020   6.127  -5.272
  306   2HG2  THR  40          2HG2      THR  40 166.647   6.615  -5.744
  307   3HG2  THR  40          3HG2      THR  40 166.409   5.168  -4.765
  308    H    ALA  41           HN       ALA  41 168.460   5.855  -5.852
  309    HA   ALA  41           HA       ALA  41 170.475   6.203  -7.911
  310   1HB   ALA  41          HB1       ALA  41 168.349   8.195  -7.383
  311   2HB   ALA  41          HB2       ALA  41 169.227   7.837  -8.870
  312   3HB   ALA  41          HB3       ALA  41 169.987   8.807  -7.608
  313    H    GLY  42           HN       GLY  42 169.569   8.569  -5.445
  314   1HA   GLY  42          HA2       GLY  42 172.218   8.444  -4.315
  315   2HA   GLY  42          HA1       GLY  42 170.908   9.484  -3.791
  316    H    MET  43           HN       MET  43 171.606   6.025  -3.912
  317    HA   MET  43           HA       MET  43 170.095   5.518  -1.530
  318   1HB   MET  43          HB2       MET  43 170.682   3.205  -1.862
  319   2HB   MET  43          HB1       MET  43 170.239   3.910  -3.402
  320   1HG   MET  43          HG2       MET  43 172.071   2.925  -4.149
  321   2HG   MET  43          HG1       MET  43 172.906   4.300  -3.427
  322   1HE   MET  43          HE1       MET  43 174.632   4.208  -2.061
  323   2HE   MET  43          HE2       MET  43 175.384   2.847  -2.894
  324   3HE   MET  43          HE3       MET  43 175.280   2.855  -1.134
  325    H    TYR  44           HN       TYR  44 173.371   6.327  -2.214
  326    HA   TYR  44           HA       TYR  44 174.725   5.110  -0.106
  327   1HB   TYR  44          HB2       TYR  44 175.166   7.733  -1.528
  328   2HB   TYR  44          HB1       TYR  44 176.252   7.163  -0.266
  329    HD1  TYR  44           HD1      TYR  44 174.988   6.506  -3.661
  330    HD2  TYR  44           HD2      TYR  44 177.804   5.382  -0.677
  331    HE1  TYR  44           HE1      TYR  44 176.214   5.177  -5.328
  332    HE2  TYR  44           HE2      TYR  44 179.038   4.050  -2.336
  333    HH   TYR  44           HH       TYR  44 178.266   2.854  -4.680
  334    H    CYS  45           HN       CYS  45 173.474   8.455  -0.178
  335    HA   CYS  45           HA       CYS  45 173.867   9.010   2.526
  336   1HB   CYS  45          HB2       CYS  45 171.914  10.106   0.509
  337   2HB   CYS  45          HB1       CYS  45 171.973  10.704   2.163
  338    H    ALA  46           HN       ALA  46 171.474   7.098   0.949
  339    HA   ALA  46           HA       ALA  46 169.467   7.207   2.959
  340   1HB   ALA  46          HB1       ALA  46 169.509   6.272   0.441
  341   2HB   ALA  46          HB2       ALA  46 168.294   5.804   1.631
  342   3HB   ALA  46          HB3       ALA  46 169.681   4.757   1.328
  343    H    ALA  47           HN       ALA  47 171.796   4.636   2.131
  344    HA   ALA  47           HA       ALA  47 171.285   3.063   4.407
  345   1HB   ALA  47          HB1       ALA  47 173.966   2.991   3.121
  346   2HB   ALA  47          HB2       ALA  47 172.556   2.551   2.158
  347   3HB   ALA  47          HB3       ALA  47 172.925   1.666   3.639
  348    H    LEU  48           HN       LEU  48 173.260   5.879   3.935
  349    HA   LEU  48           HA       LEU  48 174.918   5.471   6.231
  350   1HB   LEU  48          HB2       LEU  48 175.782   6.771   4.425
  351   2HB   LEU  48          HB1       LEU  48 174.383   7.823   4.430
  352    HG   LEU  48           HG       LEU  48 175.093   8.582   6.734
  353   1HD1  LEU  48          HD11      LEU  48 177.344   8.198   7.441
  354   2HD1  LEU  48          HD12      LEU  48 177.712   7.310   5.963
  355   3HD1  LEU  48          HD13      LEU  48 176.591   6.631   7.144
  356   1HD2  LEU  48          HD21      LEU  48 177.235   9.752   5.575
  357   2HD2  LEU  48          HD22      LEU  48 175.566  10.251   5.301
  358   3HD2  LEU  48          HD23      LEU  48 176.366   9.180   4.151
  359    H    GLU  49           HN       GLU  49 172.062   7.372   5.433
  360    HA   GLU  49           HA       GLU  49 171.909   8.697   7.905
  361   1HB   GLU  49          HB2       GLU  49 169.714   9.428   7.221
  362   2HB   GLU  49          HB1       GLU  49 170.808   9.510   5.849
  363   1HG   GLU  49          HG2       GLU  49 169.816   7.706   4.788
  364   2HG   GLU  49          HG1       GLU  49 169.074   7.112   6.272
  365    H    SER  50           HN       SER  50 170.605   5.649   6.754
  366    HA   SER  50           HA       SER  50 168.945   5.270   9.075
  367   1HB   SER  50          HB2       SER  50 169.596   2.901   7.451
  368   2HB   SER  50          HB1       SER  50 168.031   3.557   7.922
  369    HG   SER  50           HG       SER  50 168.082   4.937   6.223
  370    H    LEU  51           HN       LEU  51 172.065   4.046   7.925
  371    HA   LEU  51           HA       LEU  51 172.427   2.206  10.054
  372   1HB   LEU  51          HB2       LEU  51 174.252   3.431   8.012
  373   2HB   LEU  51          HB1       LEU  51 174.867   2.381   9.267
  374    HG   LEU  51           HG       LEU  51 172.662   1.487   7.437
  375   1HD1  LEU  51          HD11      LEU  51 174.134   1.723   5.755
  376   2HD1  LEU  51          HD12      LEU  51 174.851   0.261   6.433
  377   3HD1  LEU  51          HD13      LEU  51 175.518   1.842   6.840
  378   1HD2  LEU  51          HD21      LEU  51 174.707  -0.340   8.529
  379   2HD2  LEU  51          HD22      LEU  51 172.970  -0.566   8.331
  380   3HD2  LEU  51          HD23      LEU  51 173.588   0.367   9.694
  381    H    ILE  52           HN       ILE  52 173.129   5.601   9.633
  382    HA   ILE  52           HA       ILE  52 175.047   5.944  11.639
  383    HB   ILE  52           HB       ILE  52 174.397   7.660   9.941
  384   1HG1  ILE  52          2HG1      ILE  52 174.129   9.340  12.244
  385   2HG1  ILE  52          1HG1      ILE  52 175.208   8.007  12.643
  386   1HG2  ILE  52          1HG2      ILE  52 172.359   8.539   9.825
  387   2HG2  ILE  52          2HG2      ILE  52 172.345   8.911  11.549
  388   3HG2  ILE  52          3HG2      ILE  52 171.851   7.315  10.988
  389   1HD1  ILE  52          HD11      ILE  52 176.258  10.113  11.710
  390   2HD1  ILE  52          HD12      ILE  52 175.556   9.650  10.160
  391   3HD1  ILE  52          HD13      ILE  52 176.721   8.589  10.953
  392    H    ASN  53           HN       ASN  53 171.588   5.547  11.835
  393    HA   ASN  53           HA       ASN  53 171.226   6.550  14.448
  394   1HB   ASN  53          HB2       ASN  53 169.556   4.440  13.085
  395   2HB   ASN  53          HB1       ASN  53 169.054   5.589  14.313
  396   1HD2  ASN  53          HD21      ASN  53 169.470   7.943  13.641
  397   2HD2  ASN  53          HD22      ASN  53 168.961   8.356  12.042
  398    H    VAL  54           HN       VAL  54 172.602   3.643  13.263
  399    HA   VAL  54           HA       VAL  54 171.968   1.825  15.282
  400    HB   VAL  54           HB       VAL  54 174.586   2.002  13.784
  401   1HG1  VAL  54          1HG1      VAL  54 173.245  -0.213  15.316
  402   2HG1  VAL  54          2HG1      VAL  54 174.848   0.478  15.572
  403   3HG1  VAL  54          3HG1      VAL  54 174.528  -0.504  14.142
  404   1HG2  VAL  54          1HG2      VAL  54 172.638   0.059  12.839
  405   2HG2  VAL  54          2HG2      VAL  54 173.586   1.241  11.937
  406   3HG2  VAL  54          3HG2      VAL  54 172.067   1.721  12.692
  407    H    SER  55           HN       SER  55 172.847   1.320  17.240
  408    HA   SER  55           HA       SER  55 175.145   2.789  18.238
  409   1HB   SER  55          HB2       SER  55 173.566   3.151  20.394
  410   2HB   SER  55          HB1       SER  55 173.761   4.366  19.132
  411    HG   SER  55           HG       SER  55 171.613   2.642  19.638
  412    H    GLY  56           HN       GLY  56 176.371   1.505  19.470
  413   1HA   GLY  56          HA2       GLY  56 176.820  -0.107  21.120
  414   2HA   GLY  56          HA1       GLY  56 175.143  -0.626  21.038
  415    H    CYS  57           HN       CYS  57 177.258  -0.230  18.261
  416    HA   CYS  57           HA       CYS  57 177.476  -3.143  17.997
  417   1HB   CYS  57          HB2       CYS  57 175.993  -1.303  16.275
  418   2HB   CYS  57          HB1       CYS  57 177.179  -2.253  15.390
  419    H    SER  58           HN       SER  58 178.317  -0.266  16.087
  420    HA   SER  58           HA       SER  58 180.293   0.551  15.335
  421   1HB   SER  58          HB2       SER  58 180.761  -0.100  17.934
  422   2HB   SER  58          HB1       SER  58 182.007  -1.050  17.118
  423    HG   SER  58           HG       SER  58 181.999   1.556  17.625
  424    H    ALA  59           HN       ALA  59 179.259  -2.357  14.689
  425    HA   ALA  59           HA       ALA  59 181.709  -3.491  13.590
  426   1HB   ALA  59          HB1       ALA  59 180.623  -5.481  13.478
  427   2HB   ALA  59          HB2       ALA  59 179.090  -4.743  13.014
  428   3HB   ALA  59          HB3       ALA  59 179.606  -4.718  14.700
  429    H    ILE  60           HN       ILE  60 178.681  -2.053  12.575
  430    HA   ILE  60           HA       ILE  60 179.285  -2.314   9.759
  431    HB   ILE  60           HB       ILE  60 177.148  -0.875   9.614
  432   1HG1  ILE  60          2HG1      ILE  60 176.354  -1.919  12.247
  433   2HG1  ILE  60          1HG1      ILE  60 177.528  -0.610  12.303
  434   1HG2  ILE  60          1HG2      ILE  60 177.336  -3.708  10.531
  435   2HG2  ILE  60          2HG2      ILE  60 176.914  -3.072   8.941
  436   3HG2  ILE  60          3HG2      ILE  60 175.759  -2.965  10.269
  437   1HD1  ILE  60          HD11      ILE  60 174.756  -0.426  11.994
  438   2HD1  ILE  60          HD12      ILE  60 175.467   0.056  10.454
  439   3HD1  ILE  60          HD13      ILE  60 175.950   0.870  11.942
  440    H    GLU  61           HN       GLU  61 179.614   0.013  12.297
  441    HA   GLU  61           HA       GLU  61 179.519   2.469  11.286
  442   1HB   GLU  61          HB2       GLU  61 181.307   1.140  13.190
  443   2HB   GLU  61          HB1       GLU  61 181.967   2.615  12.501
  444   1HG   GLU  61          HG2       GLU  61 179.454   3.410  13.132
  445   2HG   GLU  61          HG1       GLU  61 179.778   2.234  14.404
  446    H    LYS  62           HN       LYS  62 182.000   0.124  10.447
  447    HA   LYS  62           HA       LYS  62 183.725   1.804   9.023
  448   1HB   LYS  62          HB2       LYS  62 183.156  -1.113   9.051
  449   2HB   LYS  62          HB1       LYS  62 184.017  -0.487   7.652
  450   1HG   LYS  62          HG2       LYS  62 184.890  -0.020  10.492
  451   2HG   LYS  62          HG1       LYS  62 185.469  -1.351   9.488
  452   1HD   LYS  62          HD2       LYS  62 186.615   0.063   8.051
  453   2HD   LYS  62          HD1       LYS  62 185.639   1.465   8.492
  454   1HE   LYS  62          HE2       LYS  62 186.740   0.956  10.870
  455   2HE   LYS  62          HE1       LYS  62 188.002   0.288   9.836
  456   1HZ   LYS  62          HZ1       LYS  62 186.929   3.056   9.732
  457   2HZ   LYS  62          HZ2       LYS  62 188.082   2.425   8.667
  458   3HZ   LYS  62          HZ3       LYS  62 188.450   2.591  10.309
  459    H    THR  63           HN       THR  63 181.046  -0.207   7.831
  460    HA   THR  63           HA       THR  63 181.148   0.661   5.162
  461    HB   THR  63           HB       THR  63 178.882  -0.464   6.814
  462    HG1  THR  63           1HG      THR  63 180.489  -1.654   4.807
  463   1HG2  THR  63          1HG2      THR  63 177.678  -0.940   4.810
  464   2HG2  THR  63          2HG2      THR  63 178.958  -0.243   3.817
  465   3HG2  THR  63          3HG2      THR  63 177.998   0.793   4.873
  466    H    GLN  64           HN       GLN  64 179.623   1.976   8.020
  467    HA   GLN  64           HA       GLN  64 177.872   3.797   6.814
  468   1HB   GLN  64          HB2       GLN  64 179.157   3.534   9.478
  469   2HB   GLN  64          HB1       GLN  64 178.492   5.109   9.068
  470   1HG   GLN  64          HG2       GLN  64 176.401   4.421   9.366
  471   2HG   GLN  64          HG1       GLN  64 176.669   2.935   8.455
  472   1HE2  GLN  64          1HE2      GLN  64 176.088   4.246  11.469
  473   2HE2  GLN  64          2HE2      GLN  64 176.457   2.862  12.436
  474    H    ARG  65           HN       ARG  65 181.113   4.446   8.167
  475    HA   ARG  65           HA       ARG  65 181.320   7.043   7.282
  476   1HB   ARG  65          HB2       ARG  65 183.486   6.999   8.046
  477   2HB   ARG  65          HB1       ARG  65 182.813   5.619   8.895
  478   1HG   ARG  65          HG2       ARG  65 183.795   4.104   7.284
  479   2HG   ARG  65          HG1       ARG  65 184.410   5.467   6.348
  480   1HD   ARG  65          HD2       ARG  65 185.567   6.136   8.573
  481   2HD   ARG  65          HD1       ARG  65 185.284   4.456   9.025
  482    HE   ARG  65           HE       ARG  65 186.939   3.822   7.577
  483   1HH1  ARG  65          HH11      ARG  65 186.015   7.111   6.864
  484   2HH1  ARG  65          HH12      ARG  65 187.307   7.363   5.739
  485   1HH2  ARG  65          HH21      ARG  65 188.639   4.151   6.098
  486   2HH2  ARG  65          HH22      ARG  65 188.797   5.682   5.304
  487    H    MET  66           HN       MET  66 182.569   4.089   5.740
  488    HA   MET  66           HA       MET  66 183.693   5.301   3.502
  489   1HB   MET  66          HB2       MET  66 183.963   3.180   2.646
  490   2HB   MET  66          HB1       MET  66 183.773   2.833   4.354
  491   1HG   MET  66          HG2       MET  66 182.246   1.354   3.736
  492   2HG   MET  66          HG1       MET  66 181.192   2.728   3.416
  493   1HE   MET  66          HE1       MET  66 183.564  -0.044   1.217
  494   2HE   MET  66          HE2       MET  66 184.319   1.331   2.023
  495   3HE   MET  66          HE3       MET  66 184.109   1.342   0.272
  496    H    LEU  67           HN       LEU  67 180.374   4.507   4.220
  497    HA   LEU  67           HA       LEU  67 179.390   4.880   1.560
  498   1HB   LEU  67          HB2       LEU  67 178.175   4.570   4.268
  499   2HB   LEU  67          HB1       LEU  67 177.182   5.220   2.978
  500    HG   LEU  67           HG       LEU  67 178.524   2.518   3.031
  501   1HD1  LEU  67          HD11      LEU  67 175.818   3.522   3.614
  502   2HD1  LEU  67          HD12      LEU  67 176.653   2.087   4.208
  503   3HD1  LEU  67          HD13      LEU  67 175.901   2.072   2.613
  504   1HD2  LEU  67          HD21      LEU  67 176.884   2.439   0.895
  505   2HD2  LEU  67          HD22      LEU  67 178.603   2.819   0.798
  506   3HD2  LEU  67          HD23      LEU  67 177.412   4.120   0.821
  507    H    SER  68           HN       SER  68 179.687   6.886   4.445
  508    HA   SER  68           HA       SER  68 178.263   9.121   3.568
  509   1HB   SER  68          HB2       SER  68 178.993   8.851   5.896
  510   2HB   SER  68          HB1       SER  68 180.675   9.021   5.394
  511    HG   SER  68           HG       SER  68 178.730  11.014   4.894
  512    H    GLY  69           HN       GLY  69 181.643   8.226   3.160
  513   1HA   GLY  69          HA2       GLY  69 182.705  10.476   2.040
  514   2HA   GLY  69          HA1       GLY  69 183.169   8.853   1.561
  515    H    PHE  70           HN       PHE  70 180.409   8.289   0.610
  516    HA   PHE  70           HA       PHE  70 180.630   9.687  -1.964
  517   1HB   PHE  70          HB2       PHE  70 179.532   6.997  -1.185
  518   2HB   PHE  70          HB1       PHE  70 179.092   7.750  -2.714
  519    HD1  PHE  70           HD1      PHE  70 181.139   8.603  -4.140
  520    HD2  PHE  70           HD2      PHE  70 181.351   5.598  -1.135
  521    HE1  PHE  70           HE1      PHE  70 183.198   7.729  -5.165
  522    HE2  PHE  70           HE2      PHE  70 183.411   4.719  -2.154
  523    HZ   PHE  70           HZ       PHE  70 184.337   5.785  -4.171
  524    H    CYS  71           HN       CYS  71 178.549   9.140   0.757
  525    HA   CYS  71           HA       CYS  71 176.030   9.638  -0.155
  526   1HB   CYS  71          HB2       CYS  71 176.253   9.182   2.138
  527   2HB   CYS  71          HB1       CYS  71 177.429  10.466   2.374
  528    HA   PRO  72           HA       PRO  72 176.767  13.717  -1.989
  529   1HB   PRO  72          HB2       PRO  72 174.514  13.777  -3.473
  530   2HB   PRO  72          HB1       PRO  72 175.933  12.838  -3.954
  531   1HG   PRO  72          HG2       PRO  72 173.425  11.917  -2.598
  532   2HG   PRO  72          HG1       PRO  72 174.309  11.167  -3.940
  533   1HD   PRO  72          HD2       PRO  72 174.542  10.320  -1.370
  534   2HD   PRO  72          HD1       PRO  72 175.870  10.213  -2.545
  535    H    HIS  73           HN       HIS  73 176.071  13.860   0.601
  536    HA   HIS  73           HA       HIS  73 174.633  16.173   0.890
  537   1HB   HIS  73          HB2       HIS  73 172.870  13.970   0.418
  538   2HB   HIS  73          HB1       HIS  73 172.645  14.512   2.077
  539    HD1  HIS  73           HD1      HIS  73 170.329  15.510   1.578
  540    HD2  HIS  73           HD2      HIS  73 173.391  17.148  -0.704
  541    HE1  HIS  73           HE1      HIS  73 169.342  17.554   0.498
  542    HE2  HIS  73           HE2      HIS  73 171.187  18.480  -0.947
  543    H    LYS  74           HN       LYS  74 173.344  15.867   3.326
  544    HA   LYS  74           HA       LYS  74 175.463  14.772   5.057
  545   1HB   LYS  74          HB2       LYS  74 174.734  17.457   4.789
  546   2HB   LYS  74          HB1       LYS  74 173.979  16.938   6.289
  547   1HG   LYS  74          HG2       LYS  74 176.900  16.697   5.600
  548   2HG   LYS  74          HG1       LYS  74 176.178  17.876   6.696
  549   1HD   LYS  74          HD2       LYS  74 176.651  16.388   8.305
  550   2HD   LYS  74          HD1       LYS  74 175.243  15.511   7.703
  551   1HE   LYS  74          HE2       LYS  74 176.656  13.797   7.431
  552   2HE   LYS  74          HE1       LYS  74 177.215  14.671   6.005
  553   1HZ   LYS  74          HZ1       LYS  74 179.065  14.022   7.397
  554   2HZ   LYS  74          HZ2       LYS  74 178.402  14.834   8.723
  555   3HZ   LYS  74          HZ3       LYS  74 178.928  15.709   7.375
  556    H    VAL  75           HN       VAL  75 174.815  13.385   6.587
  557    HA   VAL  75           HA       VAL  75 172.180  13.503   7.730
  558    HB   VAL  75           HB       VAL  75 172.502  10.770   6.878
  559   1HG1  VAL  75          1HG1      VAL  75 170.378  11.282   7.516
  560   2HG1  VAL  75          2HG1      VAL  75 170.210  11.493   5.773
  561   3HG1  VAL  75          3HG1      VAL  75 170.435  12.899   6.814
  562   1HG2  VAL  75          1HG2      VAL  75 172.167  10.992   4.499
  563   2HG2  VAL  75          2HG2      VAL  75 173.675  11.787   4.951
  564   3HG2  VAL  75          3HG2      VAL  75 172.236  12.751   4.618
  565    H    SER  76           HN       SER  76 173.200  13.692   9.704
  566    HA   SER  76           HA       SER  76 174.745  11.425  10.645
  567   1HB   SER  76          HB2       SER  76 175.971  13.591  10.506
  568   2HB   SER  76          HB1       SER  76 174.788  14.266  11.626
  569    HG   SER  76           HG       SER  76 176.978  12.939  12.219
  570    H    ALA  77           HN       ALA  77 174.413  12.927  13.084
  571    HA   ALA  77           HA       ALA  77 172.046  11.549  14.078
  572   1HB   ALA  77          HB1       ALA  77 173.061  11.407  16.083
  573   2HB   ALA  77          HB2       ALA  77 173.697  13.050  15.997
  574   3HB   ALA  77          HB3       ALA  77 174.517  11.741  15.145
  575    H    GLY  78           HN       GLY  78 170.185  12.551  14.472
  576   1HA   GLY  78          HA2       GLY  78 168.626  14.235  14.562
  577   2HA   GLY  78          HA1       GLY  78 169.732  14.916  15.740
  578    H    GLN  79           HN       GLN  79 168.754  14.924  12.378
  579    HA   GLN  79           HA       GLN  79 169.351  17.689  12.096
  580   1HB   GLN  79          HB2       GLN  79 171.293  15.685  11.054
  581   2HB   GLN  79          HB1       GLN  79 170.942  17.084  10.048
  582   1HG   GLN  79          HG2       GLN  79 171.395  18.360  12.326
  583   2HG   GLN  79          HG1       GLN  79 172.352  16.915  12.646
  584   1HE2  GLN  79          1HE2      GLN  79 174.158  18.398  12.656
  585   2HE2  GLN  79          2HE2      GLN  79 174.888  18.859  11.159
  586    H    PHE  80           HN       PHE  80 167.017  16.369  11.765
  587    HA   PHE  80           HA       PHE  80 166.574  16.624   8.876
  588   1HB   PHE  80          HB2       PHE  80 165.013  14.694   8.952
  589   2HB   PHE  80          HB1       PHE  80 166.679  14.237   9.289
  590    HD1  PHE  80           HD1      PHE  80 167.287  13.257  11.347
  591    HD2  PHE  80           HD2      PHE  80 163.383  14.866  10.823
  592    HE1  PHE  80           HE1      PHE  80 166.572  12.194  13.447
  593    HE2  PHE  80           HE2      PHE  80 162.660  13.807  12.923
  594    HZ   PHE  80           HZ       PHE  80 164.255  12.469  14.238
  595    H    SER  81           HN       SER  81 164.783  17.738   8.327
  596    HA   SER  81           HA       SER  81 162.652  18.136  10.270
  597   1HB   SER  81          HB2       SER  81 162.767  20.504  10.311
  598   2HB   SER  81          HB1       SER  81 164.423  19.958  10.576
  599    HG   SER  81           HG       SER  81 164.909  20.455   8.464
  600    H    SER  82           HN       SER  82 162.924  16.795   7.691
  601    HA   SER  82           HA       SER  82 161.127  18.439   6.039
  602   1HB   SER  82          HB2       SER  82 163.470  17.262   5.284
  603   2HB   SER  82          HB1       SER  82 162.302  16.025   4.820
  604    HG   SER  82           HG       SER  82 161.146  17.876   3.799
  605    H    LEU  83           HN       LEU  83 161.431  15.485   7.810
  606    HA   LEU  83           HA       LEU  83 159.946  13.849   8.341
  607   1HB   LEU  83          HB2       LEU  83 158.237  16.125   7.560
  608   2HB   LEU  83          HB1       LEU  83 157.458  14.555   7.524
  609    HG   LEU  83           HG       LEU  83 158.915  15.618   9.939
  610   1HD1  LEU  83          HD11      LEU  83 156.828  16.917   9.076
  611   2HD1  LEU  83          HD12      LEU  83 156.963  16.498  10.784
  612   3HD1  LEU  83          HD13      LEU  83 155.940  15.534   9.718
  613   1HD2  LEU  83          HD21      LEU  83 157.252  13.883  10.963
  614   2HD2  LEU  83          HD22      LEU  83 158.769  13.342  10.244
  615   3HD2  LEU  83          HD23      LEU  83 157.265  13.208   9.333
  616    H    HIS  84           HN       HIS  84 161.277  13.907   5.734
  617    HA   HIS  84           HA       HIS  84 159.363  12.278   4.194
  618   1HB   HIS  84          HB2       HIS  84 161.648  13.988   3.192
  619   2HB   HIS  84          HB1       HIS  84 160.708  12.895   2.182
  620    HD1  HIS  84           HD1      HIS  84 160.945  16.283   2.611
  621    HD2  HIS  84           HD2      HIS  84 157.707  13.691   2.860
  622    HE1  HIS  84           HE1      HIS  84 158.908  17.715   2.253
  623    HE2  HIS  84           HE2      HIS  84 156.957  16.138   2.491
  624    H    VAL  85           HN       VAL  85 161.017  11.306   6.320
  625    HA   VAL  85           HA       VAL  85 162.979   9.675   4.860
  626    HB   VAL  85           HB       VAL  85 163.564   9.147   7.437
  627   1HG1  VAL  85          1HG1      VAL  85 165.262   9.748   5.935
  628   2HG1  VAL  85          2HG1      VAL  85 165.316  10.978   7.198
  629   3HG1  VAL  85          3HG1      VAL  85 164.559  11.340   5.647
  630   1HG2  VAL  85          1HG2      VAL  85 162.790  12.056   7.481
  631   2HG2  VAL  85          2HG2      VAL  85 163.440  11.095   8.809
  632   3HG2  VAL  85          3HG2      VAL  85 161.818  10.770   8.197
  633    H    ARG  86           HN       ARG  86 160.135   9.599   6.868
  634    HA   ARG  86           HA       ARG  86 160.235   6.789   7.409
  635   1HB   ARG  86          HB2       ARG  86 157.817   8.590   7.540
  636   2HB   ARG  86          HB1       ARG  86 158.059   7.066   8.381
  637   1HG   ARG  86          HG2       ARG  86 160.166   8.452   9.315
  638   2HG   ARG  86          HG1       ARG  86 159.023   9.767   9.037
  639   1HD   ARG  86          HD2       ARG  86 157.382   8.061  10.255
  640   2HD   ARG  86          HD1       ARG  86 158.902   7.508  10.957
  641    HE   ARG  86           HE       ARG  86 159.007   9.444  12.180
  642   1HH1  ARG  86          HH11      ARG  86 156.601   9.808   9.678
  643   2HH1  ARG  86          HH12      ARG  86 156.004  11.311  10.298
  644   1HH2  ARG  86          HH21      ARG  86 158.223  11.419  12.997
  645   2HH2  ARG  86          HH22      ARG  86 156.924  12.226  12.182
  646    H    ASP  87           HN       ASP  87 159.824   5.229   6.007
  647    HA   ASP  87           HA       ASP  87 157.685   5.558   4.059
  648   1HB   ASP  87          HB2       ASP  87 160.566   5.063   3.366
  649   2HB   ASP  87          HB1       ASP  87 159.274   4.489   2.315
  650    H    THR  88           HN       THR  88 160.250   3.147   4.125
  651    HA   THR  88           HA       THR  88 158.294   1.163   5.072
  652    HB   THR  88           HB       THR  88 160.010  -0.289   3.481
  653    HG1  THR  88           1HG      THR  88 159.400   2.119   2.118
  654   1HG2  THR  88          1HG2      THR  88 158.108  -0.012   1.722
  655   2HG2  THR  88          2HG2      THR  88 157.283   0.814   3.045
  656   3HG2  THR  88          3HG2      THR  88 157.809  -0.859   3.240
  657    H    LYS  89           HN       LYS  89 158.932   0.057   6.796
  658    HA   LYS  89           HA       LYS  89 161.713   0.278   7.665
  659   1HB   LYS  89          HB2       LYS  89 159.114  -0.291   9.001
  660   2HB   LYS  89          HB1       LYS  89 160.563  -0.985   9.714
  661   1HG   LYS  89          HG2       LYS  89 161.201   0.966  10.566
  662   2HG   LYS  89          HG1       LYS  89 160.895   1.820   9.053
  663   1HD   LYS  89          HD2       LYS  89 158.624   2.158   9.583
  664   2HD   LYS  89          HD1       LYS  89 158.671   0.971  10.888
  665   1HE   LYS  89          HE2       LYS  89 160.508   3.287  11.092
  666   2HE   LYS  89          HE1       LYS  89 158.789   3.601  11.324
  667   1HZ   LYS  89          HZ1       LYS  89 158.725   2.374  13.224
  668   2HZ   LYS  89          HZ2       LYS  89 160.328   2.906  13.311
  669   3HZ   LYS  89          HZ3       LYS  89 159.985   1.345  12.757
  670    H    ILE  90           HN       ILE  90 163.105  -1.315   7.282
  671    HA   ILE  90           HA       ILE  90 162.053  -4.061   7.070
  672    HB   ILE  90           HB       ILE  90 163.729  -4.583   5.387
  673   1HG1  ILE  90          2HG1      ILE  90 164.420  -1.637   5.418
  674   2HG1  ILE  90          1HG1      ILE  90 165.418  -2.905   6.124
  675   1HG2  ILE  90          1HG2      ILE  90 161.417  -3.271   4.972
  676   2HG2  ILE  90          2HG2      ILE  90 162.459  -3.855   3.674
  677   3HG2  ILE  90          3HG2      ILE  90 162.546  -2.169   4.185
  678   1HD1  ILE  90          HD11      ILE  90 166.129  -3.660   4.104
  679   2HD1  ILE  90          HD12      ILE  90 165.852  -1.966   3.698
  680   3HD1  ILE  90          HD13      ILE  90 164.646  -3.182   3.277
  681    H    GLU  91           HN       GLU  91 163.487  -5.751   7.718
  682    HA   GLU  91           HA       GLU  91 164.798  -5.308  10.117
  683   1HB   GLU  91          HB2       GLU  91 165.428  -7.593   8.261
  684   2HB   GLU  91          HB1       GLU  91 165.459  -7.575  10.014
  685   1HG   GLU  91          HG2       GLU  91 162.939  -7.115   9.853
  686   2HG   GLU  91          HG1       GLU  91 163.101  -7.662   8.185
  687    H    VAL  92           HN       VAL  92 166.832  -4.830  10.700
  688    HA   VAL  92           HA       VAL  92 168.570  -3.492   9.020
  689    HB   VAL  92           HB       VAL  92 170.316  -4.486  10.890
  690   1HG1  VAL  92          1HG1      VAL  92 170.288  -2.208  10.620
  691   2HG1  VAL  92          2HG1      VAL  92 169.528  -2.371  12.203
  692   3HG1  VAL  92          3HG1      VAL  92 168.534  -2.101  10.771
  693   1HG2  VAL  92          1HG2      VAL  92 167.668  -4.234  12.298
  694   2HG2  VAL  92          2HG2      VAL  92 169.227  -4.662  13.002
  695   3HG2  VAL  92          3HG2      VAL  92 168.422  -5.777  11.898
  696    H    ALA  93           HN       ALA  93 168.334  -6.934   9.637
  697    HA   ALA  93           HA       ALA  93 170.822  -7.726   8.591
  698   1HB   ALA  93          HB1       ALA  93 168.531  -9.516   8.089
  699   2HB   ALA  93          HB2       ALA  93 168.786  -9.042   9.768
  700   3HB   ALA  93          HB3       ALA  93 170.077  -9.842   8.872
  701    H    GLN  94           HN       GLN  94 167.627  -7.814   7.010
  702    HA   GLN  94           HA       GLN  94 168.607  -8.287   4.416
  703   1HB   GLN  94          HB2       GLN  94 166.088  -8.006   5.638
  704   2HB   GLN  94          HB1       GLN  94 166.145  -6.767   4.391
  705   1HG   GLN  94          HG2       GLN  94 166.906  -9.597   3.793
  706   2HG   GLN  94          HG1       GLN  94 165.220  -9.082   3.792
  707   1HE2  GLN  94          1HE2      GLN  94 168.384  -8.280   2.430
  708   2HE2  GLN  94          2HE2      GLN  94 167.784  -7.721   0.909
  709    H    PHE  95           HN       PHE  95 168.271  -5.442   6.346
  710    HA   PHE  95           HA       PHE  95 168.321  -3.451   4.384
  711   1HB   PHE  95          HB2       PHE  95 167.906  -3.228   6.900
  712   2HB   PHE  95          HB1       PHE  95 169.657  -3.234   7.074
  713    HD1  PHE  95           HD1      PHE  95 166.901  -1.484   5.324
  714    HD2  PHE  95           HD2      PHE  95 170.843  -1.247   6.897
  715    HE1  PHE  95           HE1      PHE  95 166.928   0.923   4.868
  716    HE2  PHE  95           HE2      PHE  95 170.882   1.172   6.448
  717    HZ   PHE  95           HZ       PHE  95 168.919   2.264   5.432
  718    H    VAL  96           HN       VAL  96 170.974  -4.760   6.311
  719    HA   VAL  96           HA       VAL  96 173.077  -3.462   5.017
  720    HB   VAL  96           HB       VAL  96 173.227  -6.228   6.219
  721   1HG1  VAL  96          1HG1      VAL  96 175.511  -5.813   6.549
  722   2HG1  VAL  96          2HG1      VAL  96 175.332  -4.088   6.231
  723   3HG1  VAL  96          3HG1      VAL  96 175.179  -5.250   4.912
  724   1HG2  VAL  96          1HG2      VAL  96 172.601  -3.690   7.474
  725   2HG2  VAL  96          2HG2      VAL  96 174.057  -4.421   8.149
  726   3HG2  VAL  96          3HG2      VAL  96 172.542  -5.322   8.137
  727    H    LYS  97           HN       LYS  97 171.735  -6.706   4.482
  728    HA   LYS  97           HA       LYS  97 173.348  -7.552   2.409
  729   1HB   LYS  97          HB2       LYS  97 170.458  -8.076   3.050
  730   2HB   LYS  97          HB1       LYS  97 171.216  -8.802   1.639
  731   1HG   LYS  97          HG2       LYS  97 172.312 -10.314   2.861
  732   2HG   LYS  97          HG1       LYS  97 172.761  -9.134   4.094
  733   1HD   LYS  97          HD2       LYS  97 170.293  -9.273   4.818
  734   2HD   LYS  97          HD1       LYS  97 170.246 -10.754   3.859
  735   1HE   LYS  97          HE2       LYS  97 170.708 -11.307   6.160
  736   2HE   LYS  97          HE1       LYS  97 172.140 -11.629   5.182
  737   1HZ   LYS  97          HZ1       LYS  97 171.786  -9.088   6.657
  738   2HZ   LYS  97          HZ2       LYS  97 173.210  -9.737   6.015
  739   3HZ   LYS  97          HZ3       LYS  97 172.494 -10.449   7.372
  740    H    ASP  98           HN       ASP  98 170.492  -5.448   2.256
  741    HA   ASP  98           HA       ASP  98 170.424  -5.320  -0.559
  742   1HB   ASP  98          HB2       ASP  98 169.079  -3.884   1.641
  743   2HB   ASP  98          HB1       ASP  98 169.136  -3.064   0.083
  744    H    LEU  99           HN       LEU  99 171.936  -3.499   1.864
  745    HA   LEU  99           HA       LEU  99 172.848  -1.314   0.372
  746   1HB   LEU  99          HB2       LEU  99 173.223  -0.908   2.543
  747   2HB   LEU  99          HB1       LEU  99 173.168  -2.629   2.896
  748    HG   LEU  99           HG       LEU  99 175.689  -2.368   1.840
  749   1HD1  LEU  99          HD11      LEU  99 175.342   0.049   3.582
  750   2HD1  LEU  99          HD12      LEU  99 175.246   0.142   1.823
  751   3HD1  LEU  99          HD13      LEU  99 176.730  -0.412   2.598
  752   1HD2  LEU  99          HD21      LEU  99 174.746  -2.143   4.690
  753   2HD2  LEU  99          HD22      LEU  99 176.433  -2.379   4.230
  754   3HD2  LEU  99          HD23      LEU  99 175.229  -3.602   3.825
  755    H    LEU 100           HN       LEU 100 174.114  -4.535   0.981
  756    HA   LEU 100           HA       LEU 100 176.581  -4.239  -0.406
  757   1HB   LEU 100          HB2       LEU 100 176.456  -5.967   1.204
  758   2HB   LEU 100          HB1       LEU 100 174.949  -6.573   0.558
  759    HG   LEU 100           HG       LEU 100 177.149  -7.909   0.197
  760   1HD1  LEU 100          HD11      LEU 100 174.840  -7.460  -1.571
  761   2HD1  LEU 100          HD12      LEU 100 175.443  -8.944  -0.834
  762   3HD1  LEU 100          HD13      LEU 100 176.210  -8.308  -2.289
  763   1HD2  LEU 100          HD21      LEU 100 178.723  -7.071  -1.120
  764   2HD2  LEU 100          HD22      LEU 100 177.836  -5.550  -1.162
  765   3HD2  LEU 100          HD23      LEU 100 177.553  -6.768  -2.402
  766    H    LEU 101           HN       LEU 101 173.344  -5.207  -1.238
  767    HA   LEU 101           HA       LEU 101 173.716  -6.373  -3.733
  768   1HB   LEU 101          HB2       LEU 101 171.600  -6.544  -2.756
  769   2HB   LEU 101          HB1       LEU 101 171.494  -4.844  -2.436
  770    HG   LEU 101           HG       LEU 101 170.055  -6.024  -4.315
  771   1HD1  LEU 101          HD11      LEU 101 169.421  -3.943  -4.856
  772   2HD1  LEU 101          HD12      LEU 101 171.064  -3.418  -5.222
  773   3HD1  LEU 101          HD13      LEU 101 170.509  -3.478  -3.548
  774   1HD2  LEU 101          HD21      LEU 101 172.440  -6.524  -5.423
  775   2HD2  LEU 101          HD22      LEU 101 172.111  -4.945  -6.135
  776   3HD2  LEU 101          HD23      LEU 101 170.970  -6.270  -6.364
  777    H    HIS 102           HN       HIS 102 172.457  -3.127  -3.243
  778    HA   HIS 102           HA       HIS 102 172.969  -2.258  -5.867
  779   1HB   HIS 102          HB2       HIS 102 171.332  -1.114  -4.524
  780   2HB   HIS 102          HB1       HIS 102 172.551  -0.654  -3.340
  781    HD2  HIS 102           HD2      HIS 102 174.568   1.151  -4.506
  782    HE1  HIS 102           HE1      HIS 102 171.704   2.699  -7.210
  783    HE2  HIS 102           HE2      HIS 102 173.905   3.141  -6.032
  784    H    LEU 103           HN       LEU 103 174.919  -1.803  -2.910
  785    HA   LEU 103           HA       LEU 103 176.797  -0.059  -3.962
  786   1HB   LEU 103          HB2       LEU 103 176.895  -2.142  -1.825
  787   2HB   LEU 103          HB1       LEU 103 178.339  -1.255  -2.259
  788    HG   LEU 103           HG       LEU 103 175.776   0.067  -1.390
  789   1HD1  LEU 103          HD11      LEU 103 176.532  -1.222   0.456
  790   2HD1  LEU 103          HD12      LEU 103 177.001   0.453   0.749
  791   3HD1  LEU 103          HD13      LEU 103 178.202  -0.717   0.203
  792   1HD2  LEU 103          HD21      LEU 103 177.159   1.524  -2.699
  793   2HD2  LEU 103          HD22      LEU 103 178.591   1.071  -1.773
  794   3HD2  LEU 103          HD23      LEU 103 177.298   1.993  -1.004
  795    H    LYS 104           HN       LYS 104 176.982  -3.628  -3.840
  796    HA   LYS 104           HA       LYS 104 179.428  -3.801  -5.218
  797   1HB   LYS 104          HB2       LYS 104 179.144  -6.092  -5.181
  798   2HB   LYS 104          HB1       LYS 104 178.103  -5.599  -3.856
  799   1HG   LYS 104          HG2       LYS 104 176.261  -5.584  -5.725
  800   2HG   LYS 104          HG1       LYS 104 177.386  -6.673  -6.536
  801   1HD   LYS 104          HD2       LYS 104 176.187  -7.037  -3.792
  802   2HD   LYS 104          HD1       LYS 104 175.774  -7.945  -5.247
  803   1HE   LYS 104          HE2       LYS 104 178.487  -7.907  -3.927
  804   2HE   LYS 104          HE1       LYS 104 177.289  -9.188  -3.749
  805   1HZ   LYS 104          HZ1       LYS 104 177.415  -9.252  -6.316
  806   2HZ   LYS 104          HZ2       LYS 104 178.637  -9.993  -5.411
  807   3HZ   LYS 104          HZ3       LYS 104 178.903  -8.474  -6.104
  808    H    LYS 105           HN       LYS 105 176.078  -3.796  -6.370
  809    HA   LYS 105           HA       LYS 105 176.649  -4.416  -9.053
  810   1HB   LYS 105          HB2       LYS 105 174.374  -3.576  -7.481
  811   2HB   LYS 105          HB1       LYS 105 174.377  -2.776  -9.047
  812   1HG   LYS 105          HG2       LYS 105 173.862  -4.658 -10.139
  813   2HG   LYS 105          HG1       LYS 105 174.985  -5.622  -9.177
  814   1HD   LYS 105          HD2       LYS 105 173.400  -5.812  -7.396
  815   2HD   LYS 105          HD1       LYS 105 172.300  -4.681  -8.188
  816   1HE   LYS 105          HE2       LYS 105 173.137  -7.183  -9.593
  817   2HE   LYS 105          HE1       LYS 105 171.880  -7.249  -8.359
  818   1HZ   LYS 105          HZ1       LYS 105 170.656  -6.881 -10.240
  819   2HZ   LYS 105          HZ2       LYS 105 171.840  -5.928 -10.980
  820   3HZ   LYS 105          HZ3       LYS 105 170.899  -5.286  -9.730
  821    H    LEU 106           HN       LEU 106 176.863  -1.447  -7.253
  822    HA   LEU 106           HA       LEU 106 177.037   0.230  -9.586
  823   1HB   LEU 106          HB2       LEU 106 176.280   0.747  -7.077
  824   2HB   LEU 106          HB1       LEU 106 177.970   1.194  -6.944
  825    HG   LEU 106           HG       LEU 106 177.625   2.738  -8.902
  826   1HD1  LEU 106          HD11      LEU 106 175.336   1.392  -9.327
  827   2HD1  LEU 106          HD12      LEU 106 175.626   3.035  -9.897
  828   3HD1  LEU 106          HD13      LEU 106 174.722   2.765  -8.407
  829   1HD2  LEU 106          HD21      LEU 106 177.715   3.966  -6.998
  830   2HD2  LEU 106          HD22      LEU 106 176.443   3.037  -6.206
  831   3HD2  LEU 106          HD23      LEU 106 176.025   4.259  -7.407
  832    H    PHE 107           HN       PHE 107 179.280  -0.480  -6.946
  833    HA   PHE 107           HA       PHE 107 181.552   0.608  -8.131
  834   1HB   PHE 107          HB2       PHE 107 181.025  -0.531  -5.717
  835   2HB   PHE 107          HB1       PHE 107 182.021  -1.781  -6.456
  836    HD1  PHE 107           HD1      PHE 107 184.283  -1.065  -7.415
  837    HD2  PHE 107           HD2      PHE 107 181.992   1.347  -4.763
  838    HE1  PHE 107           HE1      PHE 107 186.302   0.221  -6.847
  839    HE2  PHE 107           HE2      PHE 107 184.006   2.638  -4.190
  840    HZ   PHE 107           HZ       PHE 107 186.165   2.076  -5.233
  841    H    ARG 108           HN       ARG 108 179.916  -2.375  -8.735
  842    HA   ARG 108           HA       ARG 108 182.168  -3.553 -10.143
  843   1HB   ARG 108          HB2       ARG 108 180.619  -4.967  -8.835
  844   2HB   ARG 108          HB1       ARG 108 179.308  -4.505  -9.911
  845   1HG   ARG 108          HG2       ARG 108 180.049  -5.823 -11.613
  846   2HG   ARG 108          HG1       ARG 108 181.740  -5.697 -11.122
  847   1HD   ARG 108          HD2       ARG 108 179.752  -7.151  -9.417
  848   2HD   ARG 108          HD1       ARG 108 180.499  -7.945 -10.802
  849    HE   ARG 108           HE       ARG 108 181.709  -7.410  -8.282
  850   1HH1  ARG 108          HH11      ARG 108 182.382  -7.671 -11.696
  851   2HH1  ARG 108          HH12      ARG 108 184.043  -8.100 -11.463
  852   1HH2  ARG 108          HH21      ARG 108 183.895  -7.973  -7.974
  853   2HH2  ARG 108          HH22      ARG 108 184.902  -8.272  -9.350
  854    H    GLU 109           HN       GLU 109 178.970  -2.217 -10.928
  855    HA   GLU 109           HA       GLU 109 179.106  -2.673 -13.704
  856   1HB   GLU 109          HB2       GLU 109 177.513  -0.828 -11.962
  857   2HB   GLU 109          HB1       GLU 109 177.443  -0.652 -13.710
  858   1HG   GLU 109          HG2       GLU 109 177.077  -3.394 -12.753
  859   2HG   GLU 109          HG1       GLU 109 175.830  -2.260 -12.238
  860    H    GLY 110           HN       GLY 110 180.528  -0.244 -11.677
  861   1HA   GLY 110          HA2       GLY 110 182.401   1.030 -12.402
  862   2HA   GLY 110          HA1       GLY 110 181.813   0.904 -14.052
  863    H    ARG 111           HN       ARG 111 179.286   1.641 -11.955
  864    HA   ARG 111           HA       ARG 111 179.491   4.480 -12.676
  865   1HB   ARG 111          HB2       ARG 111 176.858   4.020 -11.881
  866   2HB   ARG 111          HB1       ARG 111 177.442   4.189 -13.527
  867   1HG   ARG 111          HG2       ARG 111 177.710   1.787 -13.712
  868   2HG   ARG 111          HG1       ARG 111 177.192   1.587 -12.037
  869   1HD   ARG 111          HD2       ARG 111 175.324   1.110 -13.450
  870   2HD   ARG 111          HD1       ARG 111 175.026   2.654 -12.654
  871    HE   ARG 111           HE       ARG 111 175.076   3.682 -14.699
  872   1HH1  ARG 111          HH11      ARG 111 176.420   0.476 -15.010
  873   2HH1  ARG 111          HH12      ARG 111 176.495   0.540 -16.739
  874   1HH2  ARG 111          HH21      ARG 111 175.175   3.767 -16.973
  875   2HH2  ARG 111          HH22      ARG 111 175.789   2.408 -17.854
  876    H    PHE 112           HN       PHE 112 180.893   3.606 -10.516
  877    HA   PHE 112           HA       PHE 112 179.403   4.091  -8.095
  878   1HB   PHE 112          HB2       PHE 112 181.196   3.189  -7.037
  879   2HB   PHE 112          HB1       PHE 112 181.598   2.620  -8.649
  880    HD1  PHE 112           HD1      PHE 112 183.548   3.313  -9.736
  881    HD2  PHE 112           HD2      PHE 112 182.288   5.275  -6.180
  882    HE1  PHE 112           HE1      PHE 112 185.709   4.488  -9.625
  883    HE2  PHE 112           HE2      PHE 112 184.446   6.456  -6.059
  884    HZ   PHE 112           HZ       PHE 112 186.159   6.063  -7.785
  885    H    ASN 113           HN       ASN 113 181.615   5.780 -10.201
  886    HA   ASN 113           HA       ASN 113 182.258   7.959 -10.351
  887   1HB   ASN 113          HB2       ASN 113 179.585   8.034  -9.917
  888   2HB   ASN 113          HB1       ASN 113 180.151   8.964  -8.533
  889   1HD2  ASN 113          HD21      ASN 113 180.370   8.716 -12.043
  890   2HD2  ASN 113          HD22      ASN 113 180.620  10.402 -12.326
  Start of MODEL    2
    1   1H    GLY   1          HT1       GLY   1 155.298  10.106  19.929
    2   2H    GLY   1          HT2       GLY   1 155.770   8.487  20.060
    3   3H    GLY   1          HT3       GLY   1 156.881   9.720  20.386
    4   1HA   GLY   1          HA1       GLY   1 155.176  10.432  22.181
    5   2HA   GLY   1          HA2       GLY   1 154.621   8.773  22.014
    6    H    GLY   2           HN       GLY   2 156.902   7.353  21.685
    7   1HA   GLY   2          HA2       GLY   2 157.903   7.181  24.320
    8   2HA   GLY   2          HA1       GLY   2 158.547   6.334  22.922
    9    HA   PRO   3           HA       PRO   3 161.892   9.187  24.254
   10   1HB   PRO   3          HB2       PRO   3 163.915   7.591  23.383
   11   2HB   PRO   3          HB1       PRO   3 163.149   7.402  24.965
   12   1HG   PRO   3          HG2       PRO   3 162.664   5.882  22.431
   13   2HG   PRO   3          HG1       PRO   3 162.807   5.274  24.091
   14   1HD   PRO   3          HD2       PRO   3 160.417   5.621  22.877
   15   2HD   PRO   3          HD1       PRO   3 160.637   5.853  24.624
   16    H    VAL   4           HN       VAL   4 161.293   7.551  21.215
   17    HA   VAL   4           HA       VAL   4 161.557   8.173  19.049
   18    HB   VAL   4           HB       VAL   4 161.859  10.903  20.289
   19   1HG1  VAL   4          1HG1      VAL   4 162.863  10.844  18.050
   20   2HG1  VAL   4          2HG1      VAL   4 161.396  11.821  18.080
   21   3HG1  VAL   4          3HG1      VAL   4 161.358  10.195  17.399
   22   1HG2  VAL   4          1HG2      VAL   4 159.697  10.449  20.761
   23   2HG2  VAL   4          2HG2      VAL   4 159.566   9.226  19.497
   24   3HG2  VAL   4          3HG2      VAL   4 159.466  10.937  19.082
   25    HA   PRO   5           HA       PRO   5 165.976   7.902  18.569
   26   1HB   PRO   5          HB2       PRO   5 166.084   7.912  15.857
   27   2HB   PRO   5          HB1       PRO   5 165.564   6.504  16.790
   28   1HG   PRO   5          HG2       PRO   5 163.905   8.567  15.392
   29   2HG   PRO   5          HG1       PRO   5 163.701   6.806  15.431
   30   1HD   PRO   5          HD2       PRO   5 162.239   8.472  16.982
   31   2HD   PRO   5          HD1       PRO   5 162.701   6.841  17.509
   32    HA   PRO   6           HA       PRO   6 167.556  11.953  17.817
   33   1HB   PRO   6          HB2       PRO   6 169.910  11.497  16.551
   34   2HB   PRO   6          HB1       PRO   6 169.660  11.139  18.264
   35   1HG   PRO   6          HG2       PRO   6 169.579   9.289  15.911
   36   2HG   PRO   6          HG1       PRO   6 170.325   9.044  17.501
   37   1HD   PRO   6          HD2       PRO   6 167.920   7.988  16.841
   38   2HD   PRO   6          HD1       PRO   6 168.321   8.489  18.496
   39    H    SER   7           HN       SER   7 165.805  12.454  16.295
   40    HA   SER   7           HA       SER   7 166.119  12.073  13.498
   41   1HB   SER   7          HB2       SER   7 164.025  12.777  15.069
   42   2HB   SER   7          HB1       SER   7 164.464  14.351  14.408
   43    HG   SER   7           HG       SER   7 164.058  12.039  12.819
   44    H    THR   8           HN       THR   8 167.099  14.566  15.738
   45    HA   THR   8           HA       THR   8 167.651  16.612  13.891
   46    HB   THR   8           HB       THR   8 168.972  16.042  16.550
   47    HG1  THR   8           1HG      THR   8 166.719  17.608  15.849
   48   1HG2  THR   8          1HG2      THR   8 169.781  18.196  16.624
   49   2HG2  THR   8          2HG2      THR   8 168.700  18.758  15.349
   50   3HG2  THR   8          3HG2      THR   8 170.080  17.736  14.948
   51    H    ALA   9           HN       ALA   9 169.568  13.911  15.061
   52    HA   ALA   9           HA       ALA   9 172.060  14.610  14.049
   53   1HB   ALA   9          HB1       ALA   9 172.424  12.092  13.925
   54   2HB   ALA   9          HB2       ALA   9 170.767  11.939  14.509
   55   3HB   ALA   9          HB3       ALA   9 171.977  12.762  15.493
   56    H    LEU  10           HN       LEU  10 169.215  13.542  12.393
   57    HA   LEU  10           HA       LEU  10 170.435  12.585  10.026
   58   1HB   LEU  10          HB2       LEU  10 168.150  12.014  10.563
   59   2HB   LEU  10          HB1       LEU  10 167.680  13.703  10.535
   60    HG   LEU  10           HG       LEU  10 168.807  12.452   8.062
   61   1HD1  LEU  10          HD11      LEU  10 167.011  10.958   8.964
   62   2HD1  LEU  10          HD12      LEU  10 166.675  11.652   7.378
   63   3HD1  LEU  10          HD13      LEU  10 165.896  12.316   8.814
   64   1HD2  LEU  10          HD21      LEU  10 168.493  14.650   7.598
   65   2HD2  LEU  10          HD22      LEU  10 167.229  14.841   8.813
   66   3HD2  LEU  10          HD23      LEU  10 166.856  14.087   7.263
   67    H    ARG  11           HN       ARG  11 169.140  15.764  10.936
   68    HA   ARG  11           HA       ARG  11 169.420  17.067   8.510
   69   1HB   ARG  11          HB2       ARG  11 169.210  19.076   9.678
   70   2HB   ARG  11          HB1       ARG  11 168.421  17.913  10.734
   71   1HG   ARG  11          HG2       ARG  11 170.880  17.799  11.762
   72   2HG   ARG  11          HG1       ARG  11 170.922  19.441  11.119
   73   1HD   ARG  11          HD2       ARG  11 168.624  19.688  12.298
   74   2HD   ARG  11          HD1       ARG  11 169.137  18.275  13.219
   75    HE   ARG  11           HE       ARG  11 170.630  19.594  14.351
   76   1HH1  ARG  11          HH11      ARG  11 169.504  21.316  11.533
   77   2HH1  ARG  11          HH12      ARG  11 170.250  22.809  11.993
   78   1HH2  ARG  11          HH21      ARG  11 171.612  21.557  14.958
   79   2HH2  ARG  11          HH22      ARG  11 171.447  22.946  13.937
   80    H    GLU  12           HN       GLU  12 171.850  16.061  10.767
   81    HA   GLU  12           HA       GLU  12 173.946  17.753   9.911
   82   1HB   GLU  12          HB2       GLU  12 173.618  15.492  11.694
   83   2HB   GLU  12          HB1       GLU  12 175.122  15.372  10.792
   84   1HG   GLU  12          HG2       GLU  12 175.633  17.714  11.519
   85   2HG   GLU  12          HG1       GLU  12 174.228  17.616  12.579
   86    H    LEU  13           HN       LEU  13 173.382  14.289   9.189
   87    HA   LEU  13           HA       LEU  13 175.361  14.129   7.205
   88   1HB   LEU  13          HB2       LEU  13 173.246  12.447   8.272
   89   2HB   LEU  13          HB1       LEU  13 173.464  12.213   6.547
   90    HG   LEU  13           HG       LEU  13 175.993  12.265   7.974
   91   1HD1  LEU  13          HD11      LEU  13 174.669   9.730   8.544
   92   2HD1  LEU  13          HD12      LEU  13 174.028  11.094   9.460
   93   3HD1  LEU  13          HD13      LEU  13 175.745  10.703   9.545
   94   1HD2  LEU  13          HD21      LEU  13 174.647  10.259   6.172
   95   2HD2  LEU  13          HD22      LEU  13 176.325  10.175   6.708
   96   3HD2  LEU  13          HD23      LEU  13 175.790  11.510   5.687
   97    H    ILE  14           HN       ILE  14 172.020  15.144   7.103
   98    HA   ILE  14           HA       ILE  14 171.658  14.944   4.313
   99    HB   ILE  14           HB       ILE  14 170.196  16.143   6.572
  100   1HG1  ILE  14          2HG1      ILE  14 168.306  15.046   5.475
  101   2HG1  ILE  14          1HG1      ILE  14 169.300  14.715   4.060
  102   1HG2  ILE  14          1HG2      ILE  14 168.660  17.356   4.949
  103   2HG2  ILE  14          2HG2      ILE  14 169.997  17.280   3.800
  104   3HG2  ILE  14          3HG2      ILE  14 170.197  18.132   5.332
  105   1HD1  ILE  14          HD11      ILE  14 170.446  13.698   6.535
  106   2HD1  ILE  14          HD12      ILE  14 170.190  12.897   4.984
  107   3HD1  ILE  14          HD13      ILE  14 168.870  13.009   6.148
  108    H    GLU  15           HN       GLU  15 172.242  17.842   6.331
  109    HA   GLU  15           HA       GLU  15 172.621  19.548   4.102
  110   1HB   GLU  15          HB2       GLU  15 173.600  19.999   6.920
  111   2HB   GLU  15          HB1       GLU  15 173.289  21.223   5.697
  112   1HG   GLU  15          HG2       GLU  15 171.139  19.413   6.744
  113   2HG   GLU  15          HG1       GLU  15 171.551  20.945   7.513
  114    H    GLU  16           HN       GLU  16 174.860  17.694   6.084
  115    HA   GLU  16           HA       GLU  16 177.233  18.923   5.167
  116   1HB   GLU  16          HB2       GLU  16 176.803  17.380   7.194
  117   2HB   GLU  16          HB1       GLU  16 177.047  16.069   6.059
  118   1HG   GLU  16          HG2       GLU  16 179.221  17.586   5.543
  119   2HG   GLU  16          HG1       GLU  16 178.982  17.919   7.258
  120    H    LEU  17           HN       LEU  17 175.579  15.942   4.215
  121    HA   LEU  17           HA       LEU  17 177.433  15.297   2.158
  122   1HB   LEU  17          HB2       LEU  17 174.663  14.310   2.817
  123   2HB   LEU  17          HB1       LEU  17 175.591  13.695   1.470
  124    HG   LEU  17           HG       LEU  17 175.565  12.465   3.804
  125   1HD1  LEU  17          HD11      LEU  17 177.595  12.732   1.691
  126   2HD1  LEU  17          HD12      LEU  17 176.757  11.303   2.295
  127   3HD1  LEU  17          HD13      LEU  17 178.131  11.961   3.184
  128   1HD2  LEU  17          HD21      LEU  17 177.554  13.022   5.130
  129   2HD2  LEU  17          HD22      LEU  17 176.382  14.338   5.119
  130   3HD2  LEU  17          HD23      LEU  17 177.827  14.437   4.114
  131    H    VAL  18           HN       VAL  18 174.484  17.136   2.371
  132    HA   VAL  18           HA       VAL  18 174.012  17.270  -0.410
  133    HB   VAL  18           HB       VAL  18 172.531  17.962   1.751
  134   1HG1  VAL  18          1HG1      VAL  18 172.183  20.254   1.959
  135   2HG1  VAL  18          2HG1      VAL  18 173.061  20.614   0.471
  136   3HG1  VAL  18          3HG1      VAL  18 173.937  20.086   1.908
  137   1HG2  VAL  18          1HG2      VAL  18 170.862  18.174   0.256
  138   2HG2  VAL  18          2HG2      VAL  18 172.097  17.619  -0.874
  139   3HG2  VAL  18          3HG2      VAL  18 171.748  19.341  -0.725
  140    H    ASN  19           HN       ASN  19 175.853  19.119   1.880
  141    HA   ASN  19           HA       ASN  19 176.453  21.327   0.206
  142   1HB   ASN  19          HB2       ASN  19 176.674  21.354   2.685
  143   2HB   ASN  19          HB1       ASN  19 178.048  20.261   2.547
  144   1HD2  ASN  19          HD21      ASN  19 179.947  21.198   2.600
  145   2HD2  ASN  19          HD22      ASN  19 180.303  22.818   2.118
  146    H    ILE  20           HN       ILE  20 178.368  18.426   1.095
  147    HA   ILE  20           HA       ILE  20 180.565  18.999  -0.522
  148    HB   ILE  20           HB       ILE  20 181.170  16.696  -0.272
  149   1HG1  ILE  20          2HG1      ILE  20 178.323  16.281   0.619
  150   2HG1  ILE  20          1HG1      ILE  20 179.104  15.572  -0.796
  151   1HG2  ILE  20          1HG2      ILE  20 179.899  17.879   2.171
  152   2HG2  ILE  20          2HG2      ILE  20 181.582  17.996   1.658
  153   3HG2  ILE  20          3HG2      ILE  20 180.935  16.453   2.212
  154   1HD1  ILE  20          HD11      ILE  20 179.547  14.926   2.102
  155   2HD1  ILE  20          HD12      ILE  20 180.659  14.415   0.833
  156   3HD1  ILE  20          HD13      ILE  20 178.983  13.867   0.811
  157    H    THR  21           HN       THR  21 177.532  17.336  -1.231
  158    HA   THR  21           HA       THR  21 178.369  16.548  -3.870
  159    HB   THR  21           HB       THR  21 176.691  15.301  -2.453
  160    HG1  THR  21           1HG      THR  21 175.368  14.826  -4.263
  161   1HG2  THR  21          1HG2      THR  21 175.352  17.216  -1.713
  162   2HG2  THR  21          2HG2      THR  21 174.381  15.975  -2.504
  163   3HG2  THR  21          3HG2      THR  21 174.801  17.452  -3.370
  164    H    GLN  22           HN       GLN  22 176.880  19.318  -2.441
  165    HA   GLN  22           HA       GLN  22 175.779  20.308  -4.926
  166   1HB   GLN  22          HB2       GLN  22 175.888  21.298  -2.103
  167   2HB   GLN  22          HB1       GLN  22 175.503  22.422  -3.398
  168   1HG   GLN  22          HG2       GLN  22 173.557  21.221  -3.993
  169   2HG   GLN  22          HG1       GLN  22 174.014  19.848  -2.987
  170   1HE2  GLN  22          1HE2      GLN  22 171.550  20.859  -2.687
  171   2HE2  GLN  22          2HE2      GLN  22 171.415  21.722  -1.197
  172    H    ASN  23           HN       ASN  23 178.351  19.872  -5.470
  173    HA   ASN  23           HA       ASN  23 179.711  22.459  -5.211
  174   1HB   ASN  23          HB2       ASN  23 180.637  19.648  -5.478
  175   2HB   ASN  23          HB1       ASN  23 181.630  20.898  -6.215
  176   1HD2  ASN  23          HD21      ASN  23 180.024  20.002  -3.225
  177   2HD2  ASN  23          HD22      ASN  23 181.190  20.705  -2.169
  178    H    GLN  24           HN       GLN  24 180.835  23.306  -7.082
  179    HA   GLN  24           HA       GLN  24 179.247  23.559  -9.335
  180   1HB   GLN  24          HB2       GLN  24 182.063  24.210  -8.667
  181   2HB   GLN  24          HB1       GLN  24 181.641  24.193 -10.373
  182   1HG   GLN  24          HG2       GLN  24 179.597  25.645  -9.373
  183   2HG   GLN  24          HG1       GLN  24 180.888  26.080  -8.255
  184   1HE2  GLN  24          1HE2      GLN  24 179.503  27.652 -10.324
  185   2HE2  GLN  24          2HE2      GLN  24 180.748  28.260 -11.355
  186    H    LYS  25           HN       LYS  25 180.079  23.072 -11.634
  187    HA   LYS  25           HA       LYS  25 179.943  20.319 -12.070
  188   1HB   LYS  25          HB2       LYS  25 180.743  22.640 -13.799
  189   2HB   LYS  25          HB1       LYS  25 180.857  20.995 -14.408
  190   1HG   LYS  25          HG2       LYS  25 178.778  21.871 -15.127
  191   2HG   LYS  25          HG1       LYS  25 178.436  20.709 -13.843
  192   1HD   LYS  25          HD2       LYS  25 177.084  22.709 -13.558
  193   2HD   LYS  25          HD1       LYS  25 178.246  22.560 -12.238
  194   1HE   LYS  25          HE2       LYS  25 179.667  24.219 -13.215
  195   2HE   LYS  25          HE1       LYS  25 178.697  24.256 -14.686
  196   1HZ   LYS  25          HZ1       LYS  25 177.294  24.838 -12.206
  197   2HZ   LYS  25          HZ2       LYS  25 177.138  25.551 -13.732
  198   3HZ   LYS  25          HZ3       LYS  25 178.412  26.002 -12.715
  199    H    ALA  26           HN       ALA  26 182.692  22.436 -11.640
  200    HA   ALA  26           HA       ALA  26 184.757  20.928 -12.661
  201   1HB   ALA  26          HB1       ALA  26 184.651  23.260 -11.375
  202   2HB   ALA  26          HB2       ALA  26 186.149  22.349 -11.570
  203   3HB   ALA  26          HB3       ALA  26 185.247  22.249 -10.058
  204    HA   PRO  27           HA       PRO  27 185.184  17.404 -10.048
  205   1HB   PRO  27          HB2       PRO  27 187.722  16.792 -10.272
  206   2HB   PRO  27          HB1       PRO  27 186.707  16.857 -11.726
  207   1HG   PRO  27          HG2       PRO  27 188.402  19.003 -10.550
  208   2HG   PRO  27          HG1       PRO  27 188.511  18.350 -12.197
  209   1HD   PRO  27          HD2       PRO  27 187.140  20.598 -11.670
  210   2HD   PRO  27          HD1       PRO  27 186.512  19.412 -12.837
  211    H    LEU  28           HN       LEU  28 186.625  16.459  -8.246
  212    HA   LEU  28           HA       LEU  28 186.906  18.542  -6.211
  213   1HB   LEU  28          HB2       LEU  28 185.490  16.656  -5.639
  214   2HB   LEU  28          HB1       LEU  28 186.791  15.535  -5.990
  215    HG   LEU  28           HG       LEU  28 188.091  16.584  -4.110
  216   1HD1  LEU  28          HD11      LEU  28 187.001  17.983  -2.532
  217   2HD1  LEU  28          HD12      LEU  28 185.447  17.798  -3.345
  218   3HD1  LEU  28          HD13      LEU  28 186.746  18.703  -4.122
  219   1HD2  LEU  28          HD21      LEU  28 185.575  15.033  -3.801
  220   2HD2  LEU  28          HD22      LEU  28 186.381  15.615  -2.345
  221   3HD2  LEU  28          HD23      LEU  28 187.243  14.565  -3.469
  222    H    CYS  29           HN       CYS  29 188.836  19.312  -5.722
  223    HA   CYS  29           HA       CYS  29 191.076  19.500  -5.391
  224   1HB   CYS  29          HB2       CYS  29 190.437  16.811  -4.666
  225   2HB   CYS  29          HB1       CYS  29 191.997  16.809  -5.482
  226    H    ASN  30           HN       ASN  30 191.197  16.492  -7.270
  227    HA   ASN  30           HA       ASN  30 192.040  17.932  -9.646
  228   1HB   ASN  30          HB2       ASN  30 194.123  16.526  -9.836
  229   2HB   ASN  30          HB1       ASN  30 194.163  17.737  -8.558
  230   1HD2  ASN  30          HD21      ASN  30 195.559  15.124  -8.965
  231   2HD2  ASN  30          HD22      ASN  30 195.285  14.250  -7.501
  232    H    GLY  31           HN       GLY  31 189.804  16.222  -8.902
  233   1HA   GLY  31          HA2       GLY  31 188.562  14.518  -9.803
  234   2HA   GLY  31          HA1       GLY  31 189.582  14.685 -11.223
  235    H    SER  32           HN       SER  32 191.050  13.896  -8.182
  236    HA   SER  32           HA       SER  32 192.259  11.563  -9.168
  237   1HB   SER  32          HB2       SER  32 191.786  12.294  -6.270
  238   2HB   SER  32          HB1       SER  32 192.996  11.168  -6.885
  239    HG   SER  32           HG       SER  32 193.318  13.713  -6.490
  240    H    MET  33           HN       MET  33 191.142   9.832  -9.799
  241    HA   MET  33           HA       MET  33 188.600   9.098  -8.993
  242   1HB   MET  33          HB2       MET  33 190.693   7.136  -9.905
  243   2HB   MET  33          HB1       MET  33 188.960   7.066 -10.145
  244   1HG   MET  33          HG2       MET  33 190.874   8.973 -11.439
  245   2HG   MET  33          HG1       MET  33 190.024   7.637 -12.209
  246   1HE   MET  33          HE1       MET  33 187.707   8.137 -13.577
  247   2HE   MET  33          HE2       MET  33 186.434   8.775 -12.537
  248   3HE   MET  33          HE3       MET  33 187.430   7.427 -11.987
  249    H    VAL  34           HN       VAL  34 187.918   7.193  -7.801
  250    HA   VAL  34           HA       VAL  34 189.743   6.152  -5.793
  251    HB   VAL  34           HB       VAL  34 187.996   6.648  -3.981
  252   1HG1  VAL  34          1HG1      VAL  34 190.301   7.757  -4.415
  253   2HG1  VAL  34          2HG1      VAL  34 189.175   8.517  -3.291
  254   3HG1  VAL  34          3HG1      VAL  34 189.342   9.144  -4.931
  255   1HG2  VAL  34          1HG2      VAL  34 187.253   8.881  -5.863
  256   2HG2  VAL  34          2HG2      VAL  34 186.562   8.531  -4.278
  257   3HG2  VAL  34          3HG2      VAL  34 186.276   7.431  -5.627
  258    H    TRP  35           HN       TRP  35 188.672   4.402  -4.487
  259    HA   TRP  35           HA       TRP  35 187.290   2.660  -6.238
  260   1HB   TRP  35          HB2       TRP  35 187.391   2.306  -3.257
  261   2HB   TRP  35          HB1       TRP  35 187.268   1.085  -4.511
  262    HD1  TRP  35           HD1      TRP  35 189.629   2.020  -2.128
  263    HE1  TRP  35           HE1      TRP  35 192.034   1.628  -2.896
  264    HE3  TRP  35           HE3      TRP  35 188.832   1.590  -7.157
  265    HZ2  TRP  35           HZ2      TRP  35 193.445   1.197  -5.306
  266    HZ3  TRP  35           HZ3      TRP  35 190.765   1.188  -8.626
  267    HH2  TRP  35           HH2      TRP  35 193.024   0.996  -7.718
  268    H    SER  36           HN       SER  36 185.339   2.977  -6.848
  269    HA   SER  36           HA       SER  36 183.341   4.541  -5.955
  270   1HB   SER  36          HB2       SER  36 181.897   2.338  -6.783
  271   2HB   SER  36          HB1       SER  36 182.539   3.601  -7.833
  272    HG   SER  36           HG       SER  36 183.254   1.003  -7.647
  273    H    ILE  37           HN       ILE  37 181.570   4.418  -4.566
  274    HA   ILE  37           HA       ILE  37 181.967   3.198  -2.110
  275    HB   ILE  37           HB       ILE  37 179.336   4.194  -3.197
  276   1HG1  ILE  37          2HG1      ILE  37 181.124   5.876  -3.597
  277   2HG1  ILE  37          1HG1      ILE  37 179.961   6.412  -2.390
  278   1HG2  ILE  37          1HG2      ILE  37 180.532   3.857  -0.490
  279   2HG2  ILE  37          2HG2      ILE  37 179.073   3.121  -1.144
  280   3HG2  ILE  37          3HG2      ILE  37 179.106   4.846  -0.784
  281   1HD1  ILE  37          HD11      ILE  37 181.492   5.914  -0.616
  282   2HD1  ILE  37          HD12      ILE  37 182.306   6.922  -1.812
  283   3HD1  ILE  37          HD13      ILE  37 182.633   5.190  -1.748
  284    H    ASN  38           HN       ASN  38 180.533   1.689  -1.045
  285    HA   ASN  38           HA       ASN  38 179.460  -0.358  -2.873
  286   1HB   ASN  38          HB2       ASN  38 181.565  -0.716  -1.175
  287   2HB   ASN  38          HB1       ASN  38 180.222  -1.218  -0.153
  288   1HD2  ASN  38          HD21      ASN  38 181.498  -1.664  -3.428
  289   2HD2  ASN  38          HD22      ASN  38 181.092  -3.340  -3.543
  290    H    LEU  39           HN       LEU  39 177.809   1.611  -2.263
  291    HA   LEU  39           HA       LEU  39 176.347   1.913  -0.062
  292   1HB   LEU  39          HB2       LEU  39 174.846   1.342  -2.586
  293   2HB   LEU  39          HB1       LEU  39 174.538   2.566  -1.371
  294    HG   LEU  39           HG       LEU  39 176.767   2.593  -3.406
  295   1HD1  LEU  39          HD11      LEU  39 174.097   3.839  -3.232
  296   2HD1  LEU  39          HD12      LEU  39 175.019   3.306  -4.637
  297   3HD1  LEU  39          HD13      LEU  39 175.417   4.832  -3.848
  298   1HD2  LEU  39          HD21      LEU  39 177.138   3.589  -1.009
  299   2HD2  LEU  39          HD22      LEU  39 176.131   4.896  -1.630
  300   3HD2  LEU  39          HD23      LEU  39 177.635   4.483  -2.443
  301    H    THR  40           HN       THR  40 176.353  -1.006  -1.974
  302    HA   THR  40           HA       THR  40 174.063  -2.265  -1.044
  303    HB   THR  40           HB       THR  40 175.115  -4.359  -1.676
  304    HG1  THR  40           1HG      THR  40 177.137  -4.505  -1.145
  305   1HG2  THR  40          1HG2      THR  40 174.569  -2.530  -3.449
  306   2HG2  THR  40          2HG2      THR  40 175.452  -3.988  -3.907
  307   3HG2  THR  40          3HG2      THR  40 176.322  -2.477  -3.637
  308    H    ALA  41           HN       ALA  41 177.351  -2.980   0.149
  309    HA   ALA  41           HA       ALA  41 176.316  -3.063   2.882
  310   1HB   ALA  41          HB1       ALA  41 176.715  -5.250   3.283
  311   2HB   ALA  41          HB2       ALA  41 178.097  -5.311   2.188
  312   3HB   ALA  41          HB3       ALA  41 176.457  -5.388   1.544
  313    H    GLY  42           HN       GLY  42 177.811  -2.538   4.445
  314   1HA   GLY  42          HA2       GLY  42 179.700  -1.546   5.299
  315   2HA   GLY  42          HA1       GLY  42 180.582  -2.635   4.238
  316    H    MET  43           HN       MET  43 178.346  -0.177   3.130
  317    HA   MET  43           HA       MET  43 180.177   0.889   1.275
  318   1HB   MET  43          HB2       MET  43 178.479   2.565   0.826
  319   2HB   MET  43          HB1       MET  43 177.732   0.988   1.005
  320   1HG   MET  43          HG2       MET  43 176.299   2.268   2.205
  321   2HG   MET  43          HG1       MET  43 177.398   1.731   3.473
  322   1HE   MET  43          HE1       MET  43 176.697   4.197   0.831
  323   2HE   MET  43          HE2       MET  43 178.185   5.137   0.949
  324   3HE   MET  43          HE3       MET  43 176.692   5.756   1.656
  325    H    TYR  44           HN       TYR  44 179.390   1.752   4.570
  326    HA   TYR  44           HA       TYR  44 180.445   4.343   4.640
  327   1HB   TYR  44          HB2       TYR  44 180.137   2.211   6.745
  328   2HB   TYR  44          HB1       TYR  44 180.845   3.778   7.121
  329    HD1  TYR  44           HD1      TYR  44 177.771   2.035   6.107
  330    HD2  TYR  44           HD2      TYR  44 179.483   5.759   7.247
  331    HE1  TYR  44           HE1      TYR  44 175.518   2.968   6.420
  332    HE2  TYR  44           HE2      TYR  44 177.235   6.703   7.563
  333    HH   TYR  44           HH       TYR  44 174.573   5.567   6.330
  334    H    CYS  45           HN       CYS  45 182.016   1.289   5.610
  335    HA   CYS  45           HA       CYS  45 184.556   2.351   6.074
  336   1HB   CYS  45          HB2       CYS  45 183.690  -0.415   5.226
  337   2HB   CYS  45          HB1       CYS  45 185.353  -0.015   5.644
  338    H    ALA  46           HN       ALA  46 182.913   1.642   3.120
  339    HA   ALA  46           HA       ALA  46 185.195   1.399   1.439
  340   1HB   ALA  46          HB1       ALA  46 183.712   1.334  -0.341
  341   2HB   ALA  46          HB2       ALA  46 182.548   2.392   0.457
  342   3HB   ALA  46          HB3       ALA  46 182.736   0.722   0.994
  343    H    ALA  47           HN       ALA  47 182.866   4.072   1.830
  344    HA   ALA  47           HA       ALA  47 184.367   5.940   0.345
  345   1HB   ALA  47          HB1       ALA  47 182.627   7.031   2.446
  346   2HB   ALA  47          HB2       ALA  47 181.851   5.893   1.345
  347   3HB   ALA  47          HB3       ALA  47 182.642   7.335   0.709
  348    H    LEU  48           HN       LEU  48 184.620   4.836   3.614
  349    HA   LEU  48           HA       LEU  48 186.053   7.107   4.605
  350   1HB   LEU  48          HB2       LEU  48 184.789   5.806   6.155
  351   2HB   LEU  48          HB1       LEU  48 185.562   4.322   5.640
  352    HG   LEU  48           HG       LEU  48 187.727   5.253   6.544
  353   1HD1  LEU  48          HD11      LEU  48 187.653   7.067   8.103
  354   2HD1  LEU  48          HD12      LEU  48 185.902   7.201   7.942
  355   3HD1  LEU  48          HD13      LEU  48 186.947   7.617   6.584
  356   1HD2  LEU  48          HD21      LEU  48 186.670   5.049   9.022
  357   2HD2  LEU  48          HD22      LEU  48 187.025   3.670   7.981
  358   3HD2  LEU  48          HD23      LEU  48 185.387   4.317   8.059
  359    H    GLU  49           HN       GLU  49 186.834   3.881   3.433
  360    HA   GLU  49           HA       GLU  49 189.591   4.054   3.981
  361   1HB   GLU  49          HB2       GLU  49 189.826   2.029   2.689
  362   2HB   GLU  49          HB1       GLU  49 188.388   1.915   3.693
  363   1HG   GLU  49          HG2       GLU  49 186.954   2.110   1.889
  364   2HG   GLU  49          HG1       GLU  49 188.186   2.833   0.857
  365    H    SER  50           HN       SER  50 187.640   4.883   1.183
  366    HA   SER  50           HA       SER  50 189.938   5.363  -0.492
  367   1HB   SER  50          HB2       SER  50 187.925   6.527  -1.858
  368   2HB   SER  50          HB1       SER  50 188.236   4.791  -1.888
  369    HG   SER  50           HG       SER  50 186.384   4.507  -0.961
  370    H    LEU  51           HN       LEU  51 187.618   7.345   1.312
  371    HA   LEU  51           HA       LEU  51 188.599   9.830   0.361
  372   1HB   LEU  51          HB2       LEU  51 186.915   9.034   2.720
  373   2HB   LEU  51          HB1       LEU  51 187.351  10.695   2.399
  374    HG   LEU  51           HG       LEU  51 185.893   8.992   0.394
  375   1HD1  LEU  51          HD11      LEU  51 184.902  10.385   2.791
  376   2HD1  LEU  51          HD12      LEU  51 184.211   9.035   1.891
  377   3HD1  LEU  51          HD13      LEU  51 184.007  10.685   1.301
  378   1HD2  LEU  51          HD21      LEU  51 185.712  11.952   0.545
  379   2HD2  LEU  51          HD22      LEU  51 185.653  10.883  -0.856
  380   3HD2  LEU  51          HD23      LEU  51 187.199  11.243  -0.087
  381    H    ILE  52           HN       ILE  52 189.194   7.927   3.289
  382    HA   ILE  52           HA       ILE  52 190.756   9.749   4.687
  383    HB   ILE  52           HB       ILE  52 189.885   7.580   5.569
  384   1HG1  ILE  52          2HG1      ILE  52 191.941   9.067   6.437
  385   2HG1  ILE  52          1HG1      ILE  52 191.399   7.617   7.273
  386   1HG2  ILE  52          1HG2      ILE  52 190.592   6.156   3.703
  387   2HG2  ILE  52          2HG2      ILE  52 191.175   5.548   5.252
  388   3HG2  ILE  52          3HG2      ILE  52 192.277   6.394   4.167
  389   1HD1  ILE  52          HD11      ILE  52 193.812   7.669   7.088
  390   2HD1  ILE  52          HD12      ILE  52 193.693   7.789   5.333
  391   3HD1  ILE  52          HD13      ILE  52 193.147   6.328   6.156
  392    H    ASN  53           HN       ASN  53 191.576   7.745   1.957
  393    HA   ASN  53           HA       ASN  53 194.419   8.133   2.263
  394   1HB   ASN  53          HB2       ASN  53 192.652   6.709   0.329
  395   2HB   ASN  53          HB1       ASN  53 194.276   7.143  -0.194
  396   1HD2  ASN  53          HD21      ASN  53 195.815   6.766   1.938
  397   2HD2  ASN  53          HD22      ASN  53 195.762   5.124   2.473
  398    H    VAL  54           HN       VAL  54 191.915  10.047   1.125
  399    HA   VAL  54           HA       VAL  54 193.064  11.244  -1.154
  400    HB   VAL  54           HB       VAL  54 191.157  12.497   0.830
  401   1HG1  VAL  54          1HG1      VAL  54 190.524  13.607  -1.525
  402   2HG1  VAL  54          2HG1      VAL  54 192.250  13.351  -1.780
  403   3HG1  VAL  54          3HG1      VAL  54 191.694  14.314  -0.411
  404   1HG2  VAL  54          1HG2      VAL  54 190.456  10.293  -0.211
  405   2HG2  VAL  54          2HG2      VAL  54 190.442  11.141  -1.757
  406   3HG2  VAL  54          3HG2      VAL  54 189.366  11.657  -0.458
  407    H    SER  55           HN       SER  55 194.360  13.022  -1.419
  408    HA   SER  55           HA       SER  55 195.349  14.399   0.966
  409   1HB   SER  55          HB2       SER  55 197.242  13.352  -1.143
  410   2HB   SER  55          HB1       SER  55 197.651  14.084   0.408
  411    HG   SER  55           HG       SER  55 196.735  12.267   1.430
  412    H    GLY  56           HN       GLY  56 195.799  16.529   0.662
  413   1HA   GLY  56          HA2       GLY  56 196.443  18.407  -0.665
  414   2HA   GLY  56          HA1       GLY  56 195.879  17.551  -2.092
  415    H    CYS  57           HN       CYS  57 193.702  17.259   0.482
  416    HA   CYS  57           HA       CYS  57 192.175  19.613  -0.362
  417   1HB   CYS  57          HB2       CYS  57 191.476  16.783  -0.701
  418   2HB   CYS  57          HB1       CYS  57 190.229  17.728   0.095
  419    H    SER  58           HN       SER  58 191.550  16.839   1.757
  420    HA   SER  58           HA       SER  58 191.098  16.666   3.971
  421   1HB   SER  58          HB2       SER  58 193.307  18.290   3.814
  422   2HB   SER  58          HB1       SER  58 192.198  19.263   4.784
  423    HG   SER  58           HG       SER  58 192.599  17.981   6.386
  424    H    ALA  59           HN       ALA  59 189.455  18.486   2.044
  425    HA   ALA  59           HA       ALA  59 188.122  20.273   3.878
  426   1HB   ALA  59          HB1       ALA  59 187.457  19.486   1.042
  427   2HB   ALA  59          HB2       ALA  59 188.327  20.932   1.555
  428   3HB   ALA  59          HB3       ALA  59 186.624  20.734   1.969
  429    H    ILE  60           HN       ILE  60 187.509  17.188   2.325
  430    HA   ILE  60           HA       ILE  60 184.898  16.859   3.453
  431    HB   ILE  60           HB       ILE  60 185.128  14.559   2.511
  432   1HG1  ILE  60          2HG1      ILE  60 187.273  14.855   0.759
  433   2HG1  ILE  60          1HG1      ILE  60 187.890  15.421   2.305
  434   1HG2  ILE  60          1HG2      ILE  60 185.856  16.400   0.312
  435   2HG2  ILE  60          2HG2      ILE  60 184.442  16.803   1.285
  436   3HG2  ILE  60          3HG2      ILE  60 184.517  15.260   0.436
  437   1HD1  ILE  60          HD11      ILE  60 188.047  12.903   1.610
  438   2HD1  ILE  60          HD12      ILE  60 186.402  12.860   2.246
  439   3HD1  ILE  60          HD13      ILE  60 187.733  13.381   3.278
  440    H    GLU  61           HN       GLU  61 187.890  16.722   4.829
  441    HA   GLU  61           HA       GLU  61 188.268  14.427   6.183
  442   1HB   GLU  61          HB2       GLU  61 188.771  17.257   6.775
  443   2HB   GLU  61          HB1       GLU  61 188.730  16.219   8.193
  444   1HG   GLU  61          HG2       GLU  61 190.301  15.129   5.990
  445   2HG   GLU  61          HG1       GLU  61 190.904  16.666   6.608
  446    H    LYS  62           HN       LYS  62 185.932  16.913   7.072
  447    HA   LYS  62           HA       LYS  62 185.029  15.825   9.473
  448   1HB   LYS  62          HB2       LYS  62 183.905  17.671   7.437
  449   2HB   LYS  62          HB1       LYS  62 182.758  16.935   8.549
  450   1HG   LYS  62          HG2       LYS  62 184.408  17.739  10.382
  451   2HG   LYS  62          HG1       LYS  62 184.999  18.821   9.120
  452   1HD   LYS  62          HD2       LYS  62 182.113  18.613   9.970
  453   2HD   LYS  62          HD1       LYS  62 183.244  19.825  10.575
  454   1HE   LYS  62          HE2       LYS  62 183.214  21.010   8.647
  455   2HE   LYS  62          HE1       LYS  62 183.054  19.571   7.641
  456   1HZ   LYS  62          HZ1       LYS  62 180.918  20.994   9.122
  457   2HZ   LYS  62          HZ2       LYS  62 180.702  19.450   8.465
  458   3HZ   LYS  62          HZ3       LYS  62 181.045  20.760   7.451
  459    H    THR  63           HN       THR  63 183.964  15.230   6.154
  460    HA   THR  63           HA       THR  63 181.886  13.430   6.788
  461    HB   THR  63           HB       THR  63 183.542  13.769   4.281
  462    HG1  THR  63           1HG      THR  63 180.877  14.550   4.835
  463   1HG2  THR  63          1HG2      THR  63 180.953  12.263   4.550
  464   2HG2  THR  63          2HG2      THR  63 182.540  11.524   4.332
  465   3HG2  THR  63          3HG2      THR  63 181.866  12.553   3.068
  466    H    GLN  64           HN       GLN  64 185.336  13.040   6.291
  467    HA   GLN  64           HA       GLN  64 185.434  10.251   6.040
  468   1HB   GLN  64          HB2       GLN  64 187.472  12.093   7.305
  469   2HB   GLN  64          HB1       GLN  64 187.775  10.445   6.775
  470   1HG   GLN  64          HG2       GLN  64 187.345  11.074   4.478
  471   2HG   GLN  64          HG1       GLN  64 186.949  12.716   4.983
  472   1HE2  GLN  64          1HE2      GLN  64 189.016  11.755   3.156
  473   2HE2  GLN  64          2HE2      GLN  64 190.516  12.337   3.784
  474    H    ARG  65           HN       ARG  65 186.018  12.224   8.953
  475    HA   ARG  65           HA       ARG  65 186.204  10.160  10.760
  476   1HB   ARG  65          HB2       ARG  65 185.547  13.051  10.952
  477   2HB   ARG  65          HB1       ARG  65 185.225  12.048  12.360
  478   1HG   ARG  65          HG2       ARG  65 187.800  11.357  11.507
  479   2HG   ARG  65          HG1       ARG  65 187.711  13.117  11.415
  480   1HD   ARG  65          HD2       ARG  65 187.243  11.346  13.800
  481   2HD   ARG  65          HD1       ARG  65 188.455  12.610  13.599
  482    HE   ARG  65           HE       ARG  65 185.926  13.776  13.362
  483   1HH1  ARG  65          HH11      ARG  65 187.907  12.231  15.784
  484   2HH1  ARG  65          HH12      ARG  65 187.202  13.108  17.100
  485   1HH2  ARG  65          HH21      ARG  65 184.998  14.931  15.092
  486   2HH2  ARG  65          HH22      ARG  65 185.550  14.641  16.707
  487    H    MET  66           HN       MET  66 183.331  12.136  10.016
  488    HA   MET  66           HA       MET  66 181.544  10.812  11.678
  489   1HB   MET  66          HB2       MET  66 179.891  12.048  10.671
  490   2HB   MET  66          HB1       MET  66 181.306  12.981  10.218
  491   1HG   MET  66          HG2       MET  66 180.630  12.849   8.125
  492   2HG   MET  66          HG1       MET  66 180.991  11.128   8.162
  493   1HE   MET  66          HE1       MET  66 177.263  12.411  10.114
  494   2HE   MET  66          HE2       MET  66 177.347  13.505   8.734
  495   3HE   MET  66          HE3       MET  66 178.693  13.413   9.869
  496    H    LEU  67           HN       LEU  67 182.775   9.918   8.547
  497    HA   LEU  67           HA       LEU  67 180.845   7.883   8.009
  498   1HB   LEU  67          HB2       LEU  67 183.461   8.720   6.850
  499   2HB   LEU  67          HB1       LEU  67 182.868   7.114   6.473
  500    HG   LEU  67           HG       LEU  67 181.474   9.723   5.879
  501   1HD1  LEU  67          HD11      LEU  67 181.727   8.522   3.518
  502   2HD1  LEU  67          HD12      LEU  67 183.140   7.837   4.321
  503   3HD1  LEU  67          HD13      LEU  67 182.968   9.587   4.179
  504   1HD2  LEU  67          HD21      LEU  67 180.488   6.969   6.032
  505   2HD2  LEU  67          HD22      LEU  67 180.124   7.791   4.515
  506   3HD2  LEU  67          HD23      LEU  67 179.606   8.496   6.046
  507    H    SER  68           HN       SER  68 184.129   7.918   9.341
  508    HA   SER  68           HA       SER  68 184.504   5.174   9.614
  509   1HB   SER  68          HB2       SER  68 186.233   5.699  11.210
  510   2HB   SER  68          HB1       SER  68 186.252   6.947   9.964
  511    HG   SER  68           HG       SER  68 185.594   7.122  12.644
  512    H    GLY  69           HN       GLY  69 182.983   7.497  11.777
  513   1HA   GLY  69          HA2       GLY  69 182.562   5.987  14.016
  514   2HA   GLY  69          HA1       GLY  69 181.432   7.198  13.441
  515    H    PHE  70           HN       PHE  70 181.022   5.666  10.917
  516    HA   PHE  70           HA       PHE  70 179.132   3.703  12.012
  517   1HB   PHE  70          HB2       PHE  70 179.140   5.431   9.573
  518   2HB   PHE  70          HB1       PHE  70 178.252   3.911   9.530
  519    HD1  PHE  70           HD1      PHE  70 176.169   3.684  10.606
  520    HD2  PHE  70           HD2      PHE  70 178.541   7.154  11.273
  521    HE1  PHE  70           HE1      PHE  70 174.267   4.763  11.733
  522    HE2  PHE  70           HE2      PHE  70 176.643   8.239  12.401
  523    HZ   PHE  70           HZ       PHE  70 174.502   7.044  12.632
  524    H    CYS  71           HN       CYS  71 181.898   4.071   9.948
  525    HA   CYS  71           HA       CYS  71 181.840   1.895   8.301
  526   1HB   CYS  71          HB2       CYS  71 183.690   3.322   8.091
  527   2HB   CYS  71          HB1       CYS  71 184.094   3.204   9.797
  528    HA   PRO  72           HA       PRO  72 181.480  -1.315  11.478
  529   1HB   PRO  72          HB2       PRO  72 180.652  -3.275   9.821
  530   2HB   PRO  72          HB1       PRO  72 179.569  -1.994  10.380
  531   1HG   PRO  72          HG2       PRO  72 181.027  -2.237   7.774
  532   2HG   PRO  72          HG1       PRO  72 179.346  -1.756   8.073
  533   1HD   PRO  72          HD2       PRO  72 181.332   0.040   7.604
  534   2HD   PRO  72          HD1       PRO  72 179.930   0.397   8.634
  535    H    HIS  73           HN       HIS  73 184.044  -0.739  10.872
  536    HA   HIS  73           HA       HIS  73 185.462  -3.041  11.208
  537   1HB   HIS  73          HB2       HIS  73 184.704  -2.686   8.407
  538   2HB   HIS  73          HB1       HIS  73 186.441  -2.851   8.624
  539    HD1  HIS  73           HD1      HIS  73 186.675  -4.963  10.734
  540    HD2  HIS  73           HD2      HIS  73 183.846  -5.146   7.696
  541    HE1  HIS  73           HE1      HIS  73 186.062  -7.393  10.532
  542    HE2  HIS  73           HE2      HIS  73 184.286  -7.468   8.747
  543    H    LYS  74           HN       LYS  74 187.836  -2.699   9.982
  544    HA   LYS  74           HA       LYS  74 188.579   0.080  10.628
  545   1HB   LYS  74          HB2       LYS  74 189.528  -2.387  11.730
  546   2HB   LYS  74          HB1       LYS  74 190.849  -1.610  10.869
  547   1HG   LYS  74          HG2       LYS  74 190.827  -0.965  13.209
  548   2HG   LYS  74          HG1       LYS  74 190.513   0.425  12.168
  549   1HD   LYS  74          HD2       LYS  74 188.000  -0.286  12.584
  550   2HD   LYS  74          HD1       LYS  74 188.693  -1.006  14.038
  551   1HE   LYS  74          HE2       LYS  74 188.721   1.878  13.189
  552   2HE   LYS  74          HE1       LYS  74 188.008   1.176  14.641
  553   1HZ   LYS  74          HZ1       LYS  74 190.306   0.567  15.326
  554   2HZ   LYS  74          HZ2       LYS  74 190.027   2.234  15.254
  555   3HZ   LYS  74          HZ3       LYS  74 190.894   1.468  14.020
  556    H    VAL  75           HN       VAL  75 189.454   1.198   9.005
  557    HA   VAL  75           HA       VAL  75 191.263   0.063   7.134
  558    HB   VAL  75           HB       VAL  75 189.223  -0.809   6.139
  559   1HG1  VAL  75          1HG1      VAL  75 187.827   1.125   7.129
  560   2HG1  VAL  75          2HG1      VAL  75 187.358   0.445   5.571
  561   3HG1  VAL  75          3HG1      VAL  75 188.239   1.971   5.638
  562   1HG2  VAL  75          1HG2      VAL  75 189.429   0.228   3.891
  563   2HG2  VAL  75          2HG2      VAL  75 190.980  -0.198   4.615
  564   3HG2  VAL  75          3HG2      VAL  75 190.443   1.483   4.606
  565    H    SER  76           HN       SER  76 192.628   1.736   7.543
  566    HA   SER  76           HA       SER  76 191.743   4.451   7.072
  567   1HB   SER  76          HB2       SER  76 192.746   3.904   9.286
  568   2HB   SER  76          HB1       SER  76 194.223   3.443   8.440
  569    HG   SER  76           HG       SER  76 192.999   6.006   8.408
  570    H    ALA  77           HN       ALA  77 194.611   4.775   6.999
  571    HA   ALA  77           HA       ALA  77 195.050   4.308   4.125
  572   1HB   ALA  77          HB1       ALA  77 195.713   6.661   5.845
  573   2HB   ALA  77          HB2       ALA  77 194.913   6.610   4.275
  574   3HB   ALA  77          HB3       ALA  77 196.651   6.335   4.388
  575    H    GLY  78           HN       GLY  78 196.378   4.030   7.317
  576   1HA   GLY  78          HA2       GLY  78 198.990   3.214   6.280
  577   2HA   GLY  78          HA1       GLY  78 198.585   3.485   7.968
  578    H    GLN  79           HN       GLN  79 196.629   1.536   5.814
  579    HA   GLN  79           HA       GLN  79 197.769  -0.948   6.751
  580   1HB   GLN  79          HB2       GLN  79 195.466  -1.716   7.574
  581   2HB   GLN  79          HB1       GLN  79 196.390  -0.654   8.627
  582   1HG   GLN  79          HG2       GLN  79 195.076   1.261   7.782
  583   2HG   GLN  79          HG1       GLN  79 194.102   0.134   6.838
  584   1HE2  GLN  79          1HE2      GLN  79 194.401   1.734   9.749
  585   2HE2  GLN  79          2HE2      GLN  79 193.245   0.838  10.667
  586    H    PHE  80           HN       PHE  80 198.104  -1.444   4.597
  587    HA   PHE  80           HA       PHE  80 196.232  -1.187   2.534
  588   1HB   PHE  80          HB2       PHE  80 198.739  -2.730   2.942
  589   2HB   PHE  80          HB1       PHE  80 197.685  -3.251   1.632
  590    HD1  PHE  80           HD1      PHE  80 198.466   0.159   2.903
  591    HD2  PHE  80           HD2      PHE  80 198.703  -2.596  -0.332
  592    HE1  PHE  80           HE1      PHE  80 199.385   1.932   1.465
  593    HE2  PHE  80           HE2      PHE  80 199.623  -0.828  -1.775
  594    HZ   PHE  80           HZ       PHE  80 199.966   1.439  -0.877
  595    H    SER  81           HN       SER  81 196.656  -3.653   4.967
  596    HA   SER  81           HA       SER  81 195.203  -5.739   3.807
  597   1HB   SER  81          HB2       SER  81 196.571  -5.509   6.098
  598   2HB   SER  81          HB1       SER  81 194.940  -5.316   6.740
  599    HG   SER  81           HG       SER  81 196.189  -7.551   5.840
  600    H    SER  82           HN       SER  82 193.105  -6.475   5.243
  601    HA   SER  82           HA       SER  82 190.859  -6.228   5.481
  602   1HB   SER  82          HB2       SER  82 190.090  -4.368   6.654
  603   2HB   SER  82          HB1       SER  82 191.804  -4.379   7.065
  604    HG   SER  82           HG       SER  82 191.957  -2.496   6.169
  605    H    LEU  83           HN       LEU  83 191.730  -6.304   2.891
  606    HA   LEU  83           HA       LEU  83 190.352  -4.169   1.451
  607   1HB   LEU  83          HB2       LEU  83 191.908  -6.504   0.341
  608   2HB   LEU  83          HB1       LEU  83 191.356  -5.097  -0.548
  609    HG   LEU  83           HG       LEU  83 193.168  -4.637   1.765
  610   1HD1  LEU  83          HD11      LEU  83 193.913  -6.061  -0.740
  611   2HD1  LEU  83          HD12      LEU  83 194.511  -6.280   0.904
  612   3HD1  LEU  83          HD13      LEU  83 195.043  -4.896  -0.051
  613   1HD2  LEU  83          HD21      LEU  83 193.575  -2.663   0.746
  614   2HD2  LEU  83          HD22      LEU  83 192.031  -3.001  -0.036
  615   3HD2  LEU  83          HD23      LEU  83 193.540  -3.367  -0.871
  616    H    HIS  84           HN       HIS  84 188.368  -4.389   0.648
  617    HA   HIS  84           HA       HIS  84 187.306  -6.739  -0.456
  618   1HB   HIS  84          HB2       HIS  84 185.576  -7.245   1.271
  619   2HB   HIS  84          HB1       HIS  84 187.217  -7.611   1.791
  620    HD1  HIS  84           HD1      HIS  84 187.091  -7.242   4.254
  621    HD2  HIS  84           HD2      HIS  84 185.430  -4.099   2.104
  622    HE1  HIS  84           HE1      HIS  84 186.558  -5.470   5.957
  623    HE2  HIS  84           HE2      HIS  84 185.635  -3.544   4.622
  624    H    VAL  85           HN       VAL  85 187.462  -3.985  -1.089
  625    HA   VAL  85           HA       VAL  85 184.763  -3.519  -1.882
  626    HB   VAL  85           HB       VAL  85 184.586  -2.687   0.414
  627   1HG1  VAL  85          1HG1      VAL  85 187.132  -1.995   0.320
  628   2HG1  VAL  85          2HG1      VAL  85 185.994  -1.178   1.391
  629   3HG1  VAL  85          3HG1      VAL  85 186.447  -0.438  -0.144
  630   1HG2  VAL  85          1HG2      VAL  85 183.565  -1.528  -1.714
  631   2HG2  VAL  85          2HG2      VAL  85 184.624  -0.203  -1.229
  632   3HG2  VAL  85          3HG2      VAL  85 183.394  -0.802  -0.116
  633    H    ARG  86           HN       ARG  86 186.375  -3.771  -3.732
  634    HA   ARG  86           HA       ARG  86 186.941  -1.121  -4.758
  635   1HB   ARG  86          HB2       ARG  86 189.268  -1.722  -5.404
  636   2HB   ARG  86          HB1       ARG  86 189.038  -1.587  -3.667
  637   1HG   ARG  86          HG2       ARG  86 188.591  -4.210  -3.964
  638   2HG   ARG  86          HG1       ARG  86 189.691  -3.941  -5.318
  639   1HD   ARG  86          HD2       ARG  86 190.375  -2.813  -2.644
  640   2HD   ARG  86          HD1       ARG  86 190.607  -4.537  -2.929
  641    HE   ARG  86           HE       ARG  86 192.175  -2.382  -3.988
  642   1HH1  ARG  86          HH11      ARG  86 191.135  -5.670  -4.521
  643   2HH1  ARG  86          HH12      ARG  86 192.497  -6.072  -5.511
  644   1HH2  ARG  86          HH21      ARG  86 193.967  -2.909  -5.290
  645   2HH2  ARG  86          HH22      ARG  86 194.106  -4.505  -5.948
  646    H    ASP  87           HN       ASP  87 185.996  -1.132  -6.681
  647    HA   ASP  87           HA       ASP  87 186.259  -3.536  -8.359
  648   1HB   ASP  87          HB2       ASP  87 183.869  -1.761  -7.923
  649   2HB   ASP  87          HB1       ASP  87 184.016  -2.776  -9.354
  650    H    THR  88           HN       THR  88 184.861  -0.378  -9.063
  651    HA   THR  88           HA       THR  88 186.949   0.012 -11.105
  652    HB   THR  88           HB       THR  88 184.319   1.328 -11.477
  653    HG1  THR  88           1HG      THR  88 184.709  -1.462 -11.676
  654   1HG2  THR  88          1HG2      THR  88 184.666   0.704 -13.806
  655   2HG2  THR  88          2HG2      THR  88 186.136  -0.160 -13.356
  656   3HG2  THR  88          3HG2      THR  88 186.046   1.590 -13.158
  657    H    LYS  89           HN       LYS  89 187.734   2.095 -11.437
  658    HA   LYS  89           HA       LYS  89 187.556   3.827  -9.127
  659   1HB   LYS  89          HB2       LYS  89 189.276   3.678 -11.566
  660   2HB   LYS  89          HB1       LYS  89 189.190   5.194 -10.683
  661   1HG   LYS  89          HG2       LYS  89 190.473   4.435  -9.023
  662   2HG   LYS  89          HG1       LYS  89 189.645   2.877  -8.973
  663   1HD   LYS  89          HD2       LYS  89 191.089   1.908 -10.449
  664   2HD   LYS  89          HD1       LYS  89 191.402   3.421 -11.301
  665   1HE   LYS  89          HE2       LYS  89 193.051   4.056  -9.854
  666   2HE   LYS  89          HE1       LYS  89 192.342   3.188  -8.494
  667   1HZ   LYS  89          HZ1       LYS  89 193.005   1.105  -9.795
  668   2HZ   LYS  89          HZ2       LYS  89 194.229   1.971  -9.013
  669   3HZ   LYS  89          HZ3       LYS  89 194.015   2.132 -10.683
  670    H    ILE  90           HN       ILE  90 186.370   5.637  -8.970
  671    HA   ILE  90           HA       ILE  90 185.226   6.747 -11.449
  672    HB   ILE  90           HB       ILE  90 183.161   7.250 -10.342
  673   1HG1  ILE  90          2HG1      ILE  90 183.473   5.783  -7.877
  674   2HG1  ILE  90          1HG1      ILE  90 184.679   7.062  -7.971
  675   1HG2  ILE  90          1HG2      ILE  90 183.579   4.950 -11.282
  676   2HG2  ILE  90          2HG2      ILE  90 182.261   5.076 -10.116
  677   3HG2  ILE  90          3HG2      ILE  90 183.816   4.406  -9.621
  678   1HD1  ILE  90          HD11      ILE  90 183.162   8.669  -7.667
  679   2HD1  ILE  90          HD12      ILE  90 182.137   7.366  -7.068
  680   3HD1  ILE  90          HD13      ILE  90 181.991   7.905  -8.741
  681    H    GLU  91           HN       GLU  91 184.574   9.032 -11.280
  682    HA   GLU  91           HA       GLU  91 186.660  10.649 -10.415
  683   1HB   GLU  91          HB2       GLU  91 183.838  11.615 -10.820
  684   2HB   GLU  91          HB1       GLU  91 185.336  12.478 -11.108
  685   1HG   GLU  91          HG2       GLU  91 185.788  10.649 -12.869
  686   2HG   GLU  91          HG1       GLU  91 184.057  10.342 -12.746
  687    H    VAL  92           HN       VAL  92 187.079  11.779  -8.612
  688    HA   VAL  92           HA       VAL  92 186.026  11.031  -6.149
  689    HB   VAL  92           HB       VAL  92 186.937  13.581  -5.625
  690   1HG1  VAL  92          1HG1      VAL  92 189.183  12.278  -5.275
  691   2HG1  VAL  92          2HG1      VAL  92 188.178  10.875  -5.643
  692   3HG1  VAL  92          3HG1      VAL  92 187.767  11.921  -4.285
  693   1HG2  VAL  92          1HG2      VAL  92 188.691  12.505  -7.825
  694   2HG2  VAL  92          2HG2      VAL  92 188.855  14.032  -6.956
  695   3HG2  VAL  92          3HG2      VAL  92 187.505  13.789  -8.065
  696    H    ALA  93           HN       ALA  93 185.100  13.687  -8.281
  697    HA   ALA  93           HA       ALA  93 183.390  15.043  -6.517
  698   1HB   ALA  93          HB1       ALA  93 182.402  16.048  -8.487
  699   2HB   ALA  93          HB2       ALA  93 183.105  14.796  -9.511
  700   3HB   ALA  93          HB3       ALA  93 184.152  15.949  -8.684
  701    H    GLN  94           HN       GLN  94 182.549  12.699  -9.068
  702    HA   GLN  94           HA       GLN  94 179.854  12.403  -8.350
  703   1HB   GLN  94          HB2       GLN  94 181.579  11.349 -10.299
  704   2HB   GLN  94          HB1       GLN  94 180.977   9.953  -9.416
  705   1HG   GLN  94          HG2       GLN  94 179.180  12.080 -10.536
  706   2HG   GLN  94          HG1       GLN  94 179.656  10.643 -11.438
  707   1HE2  GLN  94          1HE2      GLN  94 177.956  11.807  -8.606
  708   2HE2  GLN  94          2HE2      GLN  94 176.968  10.407  -8.386
  709    H    PHE  95           HN       PHE  95 182.790  11.013  -7.137
  710    HA   PHE  95           HA       PHE  95 181.795   8.812  -5.740
  711   1HB   PHE  95          HB2       PHE  95 184.223   9.469  -6.180
  712   2HB   PHE  95          HB1       PHE  95 184.067  10.548  -4.799
  713    HD1  PHE  95           HD1      PHE  95 183.643   7.003  -5.794
  714    HD2  PHE  95           HD2      PHE  95 184.494   9.750  -2.661
  715    HE1  PHE  95           HE1      PHE  95 184.171   5.131  -4.307
  716    HE2  PHE  95           HE2      PHE  95 185.031   7.874  -1.159
  717    HZ   PHE  95           HZ       PHE  95 184.869   5.557  -1.983
  718    H    VAL  96           HN       VAL  96 182.400  12.112  -4.645
  719    HA   VAL  96           HA       VAL  96 181.421  11.813  -2.032
  720    HB   VAL  96           HB       VAL  96 181.363  14.333  -3.702
  721   1HG1  VAL  96          1HG1      VAL  96 181.862  14.384  -0.791
  722   2HG1  VAL  96          2HG1      VAL  96 180.221  13.997  -1.307
  723   3HG1  VAL  96          3HG1      VAL  96 180.970  15.511  -1.812
  724   1HG2  VAL  96          1HG2      VAL  96 183.585  12.834  -2.487
  725   2HG2  VAL  96          2HG2      VAL  96 183.572  14.566  -2.156
  726   3HG2  VAL  96          3HG2      VAL  96 183.587  13.986  -3.822
  727    H    LYS  97           HN       LYS  97 179.849  12.925  -5.005
  728    HA   LYS  97           HA       LYS  97 177.344  13.556  -4.022
  729   1HB   LYS  97          HB2       LYS  97 177.789  12.163  -6.659
  730   2HB   LYS  97          HB1       LYS  97 176.522  13.308  -6.246
  731   1HG   LYS  97          HG2       LYS  97 179.295  14.288  -6.016
  732   2HG   LYS  97          HG1       LYS  97 178.702  13.964  -7.644
  733   1HD   LYS  97          HD2       LYS  97 176.604  15.305  -6.565
  734   2HD   LYS  97          HD1       LYS  97 177.963  16.063  -5.733
  735   1HE   LYS  97          HE2       LYS  97 177.407  17.264  -7.785
  736   2HE   LYS  97          HE1       LYS  97 179.017  16.550  -7.880
  737   1HZ   LYS  97          HZ1       LYS  97 178.363  15.055  -9.446
  738   2HZ   LYS  97          HZ2       LYS  97 177.303  16.315  -9.832
  739   3HZ   LYS  97          HZ3       LYS  97 176.757  15.002  -8.916
  740    H    ASP  98           HN       ASP  98 178.510  10.372  -5.158
  741    HA   ASP  98           HA       ASP  98 176.094   9.037  -4.693
  742   1HB   ASP  98          HB2       ASP  98 178.868   8.209  -5.257
  743   2HB   ASP  98          HB1       ASP  98 177.830   7.001  -4.506
  744    H    LEU  99           HN       LEU  99 178.828   9.599  -2.750
  745    HA   LEU  99           HA       LEU  99 178.299   7.971  -0.564
  746   1HB   LEU  99          HB2       LEU  99 180.329   8.942  -0.405
  747   2HB   LEU  99          HB1       LEU  99 179.781  10.342  -1.316
  748    HG   LEU  99           HG       LEU  99 178.601  10.813   1.096
  749   1HD1  LEU  99          HD11      LEU  99 179.722   8.783   2.024
  750   2HD1  LEU  99          HD12      LEU  99 180.090  10.281   2.878
  751   3HD1  LEU  99          HD13      LEU  99 181.268   9.591   1.761
  752   1HD2  LEU  99          HD21      LEU  99 180.448  12.381   1.500
  753   2HD2  LEU  99          HD22      LEU  99 179.899  12.414  -0.175
  754   3HD2  LEU  99          HD23      LEU  99 181.390  11.573   0.247
  755    H    LEU 100           HN       LEU 100 177.149  11.174  -1.458
  756    HA   LEU 100           HA       LEU 100 175.595  11.675   0.877
  757   1HB   LEU 100          HB2       LEU 100 176.219  13.589  -0.307
  758   2HB   LEU 100          HB1       LEU 100 175.832  12.875  -1.855
  759    HG   LEU 100           HG       LEU 100 174.353  14.780  -0.979
  760   1HD1  LEU 100          HD11      LEU 100 173.689  12.332  -2.400
  761   2HD1  LEU 100          HD12      LEU 100 173.323  14.011  -2.791
  762   3HD1  LEU 100          HD13      LEU 100 172.285  13.120  -1.681
  763   1HD2  LEU 100          HD21      LEU 100 173.883  12.781   1.064
  764   2HD2  LEU 100          HD22      LEU 100 172.388  13.288   0.282
  765   3HD2  LEU 100          HD23      LEU 100 173.443  14.487   1.026
  766    H    LEU 101           HN       LEU 101 175.041  10.200  -2.228
  767    HA   LEU 101           HA       LEU 101 172.278  10.062  -2.335
  768   1HB   LEU 101          HB2       LEU 101 173.472   9.399  -4.229
  769   2HB   LEU 101          HB1       LEU 101 174.498   8.326  -3.338
  770    HG   LEU 101           HG       LEU 101 172.613   7.448  -4.970
  771   1HD1  LEU 101          HD11      LEU 101 172.744   5.861  -2.493
  772   2HD1  LEU 101          HD12      LEU 101 174.294   6.320  -3.203
  773   3HD1  LEU 101          HD13      LEU 101 173.119   5.414  -4.157
  774   1HD2  LEU 101          HD21      LEU 101 171.060   7.062  -2.493
  775   2HD2  LEU 101          HD22      LEU 101 170.518   7.229  -4.163
  776   3HD2  LEU 101          HD23      LEU 101 170.964   8.660  -3.234
  777    H    HIS 102           HN       HIS 102 174.354   7.377  -1.431
  778    HA   HIS 102           HA       HIS 102 172.275   5.895  -0.214
  779   1HB   HIS 102          HB2       HIS 102 174.238   4.776  -1.076
  780   2HB   HIS 102          HB1       HIS 102 175.269   5.612   0.081
  781    HD2  HIS 102           HD2      HIS 102 175.083   4.705   2.734
  782    HE1  HIS 102           HE1      HIS 102 172.915   1.218   1.710
  783    HE2  HIS 102           HE2      HIS 102 174.346   2.333   3.481
  784    H    LEU 103           HN       LEU 103 174.712   8.063   1.221
  785    HA   LEU 103           HA       LEU 103 174.207   7.356   3.882
  786   1HB   LEU 103          HB2       LEU 103 175.365   9.754   2.542
  787   2HB   LEU 103          HB1       LEU 103 175.007   9.822   4.254
  788    HG   LEU 103           HG       LEU 103 176.714   7.653   3.058
  789   1HD1  LEU 103          HD11      LEU 103 177.815   9.706   2.532
  790   2HD1  LEU 103          HD12      LEU 103 178.646   8.961   3.897
  791   3HD1  LEU 103          HD13      LEU 103 177.556  10.321   4.164
  792   1HD2  LEU 103          HD21      LEU 103 176.236   6.870   5.124
  793   2HD2  LEU 103          HD22      LEU 103 175.874   8.471   5.769
  794   3HD2  LEU 103          HD23      LEU 103 177.549   7.955   5.579
  795    H    LYS 104           HN       LYS 104 172.675   9.848   1.844
  796    HA   LYS 104           HA       LYS 104 171.028  10.807   3.966
  797   1HB   LYS 104          HB2       LYS 104 170.305  12.372   2.492
  798   2HB   LYS 104          HB1       LYS 104 171.725  11.855   1.600
  799   1HG   LYS 104          HG2       LYS 104 169.917  10.141   0.596
  800   2HG   LYS 104          HG1       LYS 104 168.863  11.500   0.986
  801   1HD   LYS 104          HD2       LYS 104 171.424  11.871  -0.528
  802   2HD   LYS 104          HD1       LYS 104 169.931  11.418  -1.345
  803   1HE   LYS 104          HE2       LYS 104 170.631  13.940  -1.087
  804   2HE   LYS 104          HE1       LYS 104 168.946  13.444  -0.975
  805   1HZ   LYS 104          HZ1       LYS 104 169.126  13.474   1.426
  806   2HZ   LYS 104          HZ2       LYS 104 169.562  14.979   0.791
  807   3HZ   LYS 104          HZ3       LYS 104 170.758  13.913   1.331
  808    H    LYS 105           HN       LYS 105 170.603   8.446   1.373
  809    HA   LYS 105           HA       LYS 105 167.846   8.000   1.790
  810   1HB   LYS 105          HB2       LYS 105 169.993   6.876   0.200
  811   2HB   LYS 105          HB1       LYS 105 168.922   5.619   0.802
  812   1HG   LYS 105          HG2       LYS 105 167.254   6.229  -0.557
  813   2HG   LYS 105          HG1       LYS 105 167.528   7.948  -0.262
  814   1HD   LYS 105          HD2       LYS 105 169.317   7.999  -1.856
  815   2HD   LYS 105          HD1       LYS 105 169.250   6.247  -2.057
  816   1HE   LYS 105          HE2       LYS 105 166.942   8.072  -2.691
  817   2HE   LYS 105          HE1       LYS 105 168.157   7.607  -3.880
  818   1HZ   LYS 105          HZ1       LYS 105 167.565   5.246  -3.325
  819   2HZ   LYS 105          HZ2       LYS 105 166.365   6.123  -4.133
  820   3HZ   LYS 105          HZ3       LYS 105 166.235   5.849  -2.469
  821    H    LEU 106           HN       LEU 106 170.687   6.879   3.419
  822    HA   LEU 106           HA       LEU 106 169.406   4.664   4.723
  823   1HB   LEU 106          HB2       LEU 106 171.928   5.035   4.142
  824   2HB   LEU 106          HB1       LEU 106 171.956   5.897   5.669
  825    HG   LEU 106           HG       LEU 106 171.316   3.913   6.874
  826   1HD1  LEU 106          HD11      LEU 106 170.663   2.928   4.170
  827   2HD1  LEU 106          HD12      LEU 106 169.881   2.606   5.718
  828   3HD1  LEU 106          HD13      LEU 106 171.364   1.755   5.285
  829   1HD2  LEU 106          HD21      LEU 106 173.227   2.350   5.775
  830   2HD2  LEU 106          HD22      LEU 106 173.557   3.725   6.829
  831   3HD2  LEU 106          HD23      LEU 106 173.643   3.915   5.077
  832    H    PHE 107           HN       PHE 107 170.830   7.676   5.909
  833    HA   PHE 107           HA       PHE 107 169.779   7.506   8.499
  834   1HB   PHE 107          HB2       PHE 107 171.564   9.147   7.364
  835   2HB   PHE 107          HB1       PHE 107 170.163  10.212   7.314
  836    HD1  PHE 107           HD1      PHE 107 168.812  10.318   9.593
  837    HD2  PHE 107           HD2      PHE 107 172.900   9.199   9.224
  838    HE1  PHE 107           HE1      PHE 107 169.181  10.903  11.954
  839    HE2  PHE 107           HE2      PHE 107 173.278   9.783  11.583
  840    HZ   PHE 107           HZ       PHE 107 171.417  10.635  12.952
  841    H    ARG 108           HN       ARG 108 168.353   8.483   5.504
  842    HA   ARG 108           HA       ARG 108 166.117   9.840   6.749
  843   1HB   ARG 108          HB2       ARG 108 167.019  10.543   4.545
  844   2HB   ARG 108          HB1       ARG 108 166.502   9.005   3.868
  845   1HG   ARG 108          HG2       ARG 108 164.319   9.603   3.812
  846   2HG   ARG 108          HG1       ARG 108 164.443  10.613   5.254
  847   1HD   ARG 108          HD2       ARG 108 165.598  12.329   3.967
  848   2HD   ARG 108          HD1       ARG 108 165.528  11.314   2.528
  849    HE   ARG 108           HE       ARG 108 163.378  12.004   2.205
  850   1HH1  ARG 108          HH11      ARG 108 164.255  12.639   5.523
  851   2HH1  ARG 108          HH12      ARG 108 162.790  13.491   5.878
  852   1HH2  ARG 108          HH21      ARG 108 161.451  13.125   2.670
  853   2HH2  ARG 108          HH22      ARG 108 161.197  13.767   4.259
  854    H    GLU 109           HN       GLU 109 166.701   6.771   5.067
  855    HA   GLU 109           HA       GLU 109 164.024   5.862   5.174
  856   1HB   GLU 109          HB2       GLU 109 166.674   4.524   4.745
  857   2HB   GLU 109          HB1       GLU 109 165.216   3.559   4.926
  858   1HG   GLU 109          HG2       GLU 109 165.111   5.782   2.982
  859   2HG   GLU 109          HG1       GLU 109 166.125   4.400   2.568
  860    H    GLY 110           HN       GLY 110 166.618   5.861   7.485
  861   1HA   GLY 110          HA2       GLY 110 166.190   5.640   9.819
  862   2HA   GLY 110          HA1       GLY 110 164.803   4.637   9.435
  863    H    ARG 111           HN       ARG 111 168.165   4.451   8.388
  864    HA   ARG 111           HA       ARG 111 169.371   2.509   8.016
  865   1HB   ARG 111          HB2       ARG 111 169.498   2.406  10.962
  866   2HB   ARG 111          HB1       ARG 111 170.784   2.476   9.777
  867   1HG   ARG 111          HG2       ARG 111 170.972   4.523  10.792
  868   2HG   ARG 111          HG1       ARG 111 169.956   4.901   9.399
  869   1HD   ARG 111          HD2       ARG 111 168.154   5.354  10.674
  870   2HD   ARG 111          HD1       ARG 111 168.507   4.057  11.815
  871    HE   ARG 111           HE       ARG 111 169.228   6.808  12.065
  872   1HH1  ARG 111          HH11      ARG 111 170.206   3.562  12.892
  873   2HH1  ARG 111          HH12      ARG 111 171.099   4.053  14.292
  874   1HH2  ARG 111          HH21      ARG 111 170.401   7.457  13.907
  875   2HH2  ARG 111          HH22      ARG 111 171.209   6.264  14.869
  876    H    PHE 112           HN       PHE 112 166.880   1.592   7.716
  877    HA   PHE 112           HA       PHE 112 166.282  -0.554   9.532
  878   1HB   PHE 112          HB2       PHE 112 164.292  -0.669   8.435
  879   2HB   PHE 112          HB1       PHE 112 164.768   0.935   7.899
  880    HD1  PHE 112           HD1      PHE 112 164.633  -2.606   6.937
  881    HD2  PHE 112           HD2      PHE 112 165.205   1.399   5.638
  882    HE1  PHE 112           HE1      PHE 112 164.477  -3.354   4.593
  883    HE2  PHE 112           HE2      PHE 112 165.050   0.667   3.289
  884    HZ   PHE 112           HZ       PHE 112 164.686  -1.713   2.766
  885    H    ASN 113           HN       ASN 113 167.758  -0.150   6.388
  886    HA   ASN 113           HA       ASN 113 169.240  -2.562   6.594
  887   1HB   ASN 113          HB2       ASN 113 166.834  -3.301   5.950
  888   2HB   ASN 113          HB1       ASN 113 167.232  -2.657   4.360
  889   1HD2  ASN 113          HD21      ASN 113 167.777  -5.173   6.650
  890   2HD2  ASN 113          HD22      ASN 113 168.730  -6.189   5.629
  Start of MODEL    3
    1   1H    GLY   1          HT1       GLY   1 202.720  14.406   3.809
    2   2H    GLY   1          HT2       GLY   1 201.287  14.609   2.934
    3   3H    GLY   1          HT3       GLY   1 202.432  15.853   2.981
    4   1HA   GLY   1          HA1       GLY   1 203.809  14.882   1.482
    5   2HA   GLY   1          HA2       GLY   1 203.321  13.265   1.966
    6    H    GLY   2           HN       GLY   2 202.251  16.145   0.206
    7   1HA   GLY   2          HA2       GLY   2 200.936  16.362  -1.663
    8   2HA   GLY   2          HA1       GLY   2 201.303  14.677  -1.999
    9    HA   PRO   3           HA       PRO   3 196.764  15.653  -0.449
   10   1HB   PRO   3          HB2       PRO   3 196.196  15.218  -3.334
   11   2HB   PRO   3          HB1       PRO   3 195.435  16.332  -2.194
   12   1HG   PRO   3          HG2       PRO   3 197.152  17.224  -4.023
   13   2HG   PRO   3          HG1       PRO   3 197.134  17.898  -2.383
   14   1HD   PRO   3          HD2       PRO   3 199.056  15.980  -3.624
   15   2HD   PRO   3          HD1       PRO   3 199.356  17.285  -2.459
   16    H    VAL   4           HN       VAL   4 197.374  13.639  -3.290
   17    HA   VAL   4           HA       VAL   4 196.840  11.466  -3.757
   18    HB   VAL   4           HB       VAL   4 197.871  11.070  -0.948
   19   1HG1  VAL   4          1HG1      VAL   4 197.797   8.863  -1.280
   20   2HG1  VAL   4          2HG1      VAL   4 198.466   9.006  -2.906
   21   3HG1  VAL   4          3HG1      VAL   4 196.734   9.208  -2.644
   22   1HG2  VAL   4          1HG2      VAL   4 199.303  12.378  -2.641
   23   2HG2  VAL   4          2HG2      VAL   4 199.501  10.823  -3.448
   24   3HG2  VAL   4          3HG2      VAL   4 200.043  11.027  -1.782
   25    HA   PRO   5           HA       PRO   5 192.912  11.629  -1.147
   26   1HB   PRO   5          HB2       PRO   5 191.183  12.218  -3.146
   27   2HB   PRO   5          HB1       PRO   5 192.032  13.463  -2.224
   28   1HG   PRO   5          HG2       PRO   5 192.673  12.339  -4.923
   29   2HG   PRO   5          HG1       PRO   5 192.696  14.027  -4.381
   30   1HD   PRO   5          HD2       PRO   5 194.944  12.523  -4.593
   31   2HD   PRO   5          HD1       PRO   5 194.761  13.810  -3.384
   32    HA   PRO   6           HA       PRO   6 191.988   7.488  -2.449
   33   1HB   PRO   6          HB2       PRO   6 189.711   7.063  -1.067
   34   2HB   PRO   6          HB1       PRO   6 191.288   7.170  -0.274
   35   1HG   PRO   6          HG2       PRO   6 189.153   9.252  -0.532
   36   2HG   PRO   6          HG1       PRO   6 190.138   8.829   0.880
   37   1HD   PRO   6          HD2       PRO   6 190.671  10.964  -0.726
   38   2HD   PRO   6          HD1       PRO   6 191.927  10.078   0.161
   39    H    SER   7           HN       SER   7 191.525   8.766  -4.614
   40    HA   SER   7           HA       SER   7 188.779   9.098  -5.334
   41   1HB   SER   7          HB2       SER   7 191.403   9.305  -6.717
   42   2HB   SER   7          HB1       SER   7 189.989   9.010  -7.729
   43    HG   SER   7           HG       SER   7 189.544  11.038  -7.507
   44    H    THR   8           HN       THR   8 191.243   6.635  -5.999
   45    HA   THR   8           HA       THR   8 189.602   5.006  -7.625
   46    HB   THR   8           HB       THR   8 192.002   4.216  -5.964
   47    HG1  THR   8           1HG      THR   8 193.183   4.682  -7.787
   48   1HG2  THR   8          1HG2      THR   8 190.384   2.468  -7.181
   49   2HG2  THR   8          2HG2      THR   8 192.129   2.249  -7.041
   50   3HG2  THR   8          3HG2      THR   8 191.437   2.892  -8.530
   51    H    ALA   9           HN       ALA   9 190.139   5.181  -4.166
   52    HA   ALA   9           HA       ALA   9 189.018   2.761  -3.367
   53   1HB   ALA   9          HB1       ALA   9 190.189   4.130  -1.787
   54   2HB   ALA   9          HB2       ALA   9 188.532   3.923  -1.217
   55   3HB   ALA   9          HB3       ALA   9 189.020   5.437  -1.980
   56    H    LEU  10           HN       LEU  10 187.512   5.698  -4.475
   57    HA   LEU  10           HA       LEU  10 184.883   5.092  -3.543
   58   1HB   LEU  10          HB2       LEU  10 185.482   7.382  -4.005
   59   2HB   LEU  10          HB1       LEU  10 185.909   6.986  -5.658
   60    HG   LEU  10           HG       LEU  10 183.098   6.574  -4.706
   61   1HD1  LEU  10          HD11      LEU  10 184.233   9.174  -5.724
   62   2HD1  LEU  10          HD12      LEU  10 183.703   8.863  -4.071
   63   3HD1  LEU  10          HD13      LEU  10 182.535   8.833  -5.392
   64   1HD2  LEU  10          HD21      LEU  10 183.188   5.736  -6.812
   65   2HD2  LEU  10          HD22      LEU  10 184.550   6.755  -7.279
   66   3HD2  LEU  10          HD23      LEU  10 182.922   7.430  -7.225
   67    H    ARG  11           HN       ARG  11 186.428   4.905  -6.748
   68    HA   ARG  11           HA       ARG  11 184.282   3.847  -8.150
   69   1HB   ARG  11          HB2       ARG  11 185.856   3.134  -9.803
   70   2HB   ARG  11          HB1       ARG  11 186.456   4.640  -9.123
   71   1HG   ARG  11          HG2       ARG  11 188.328   3.689  -8.379
   72   2HG   ARG  11          HG1       ARG  11 187.473   2.282  -7.745
   73   1HD   ARG  11          HD2       ARG  11 187.916   1.054  -9.566
   74   2HD   ARG  11          HD1       ARG  11 187.553   2.386 -10.663
   75    HE   ARG  11           HE       ARG  11 190.138   1.599  -9.683
   76   1HH1  ARG  11          HH11      ARG  11 188.251   4.234 -10.979
   77   2HH1  ARG  11          HH12      ARG  11 189.631   5.090 -11.581
   78   1HH2  ARG  11          HH21      ARG  11 191.953   2.725 -10.474
   79   2HH2  ARG  11          HH22      ARG  11 191.732   4.234 -11.295
   80    H    GLU  12           HN       GLU  12 186.297   2.379  -5.776
   81    HA   GLU  12           HA       GLU  12 185.920  -0.328  -6.503
   82   1HB   GLU  12          HB2       GLU  12 186.946   1.135  -4.139
   83   2HB   GLU  12          HB1       GLU  12 186.403  -0.515  -3.869
   84   1HG   GLU  12          HG2       GLU  12 187.930  -1.305  -5.599
   85   2HG   GLU  12          HG1       GLU  12 188.472   0.349  -5.877
   86    H    LEU  13           HN       LEU  13 184.351   1.623  -3.896
   87    HA   LEU  13           HA       LEU  13 182.489  -0.478  -3.367
   88   1HB   LEU  13          HB2       LEU  13 182.336   0.666  -1.473
   89   2HB   LEU  13          HB1       LEU  13 183.292   1.963  -2.160
   90    HG   LEU  13           HG       LEU  13 181.162   2.911  -3.094
   91   1HD1  LEU  13          HD11      LEU  13 179.155   1.958  -2.748
   92   2HD1  LEU  13          HD12      LEU  13 179.560   1.487  -1.097
   93   3HD1  LEU  13          HD13      LEU  13 180.088   0.492  -2.449
   94   1HD2  LEU  13          HD21      LEU  13 182.281   3.724  -1.031
   95   2HD2  LEU  13          HD22      LEU  13 181.246   2.649  -0.091
   96   3HD2  LEU  13          HD23      LEU  13 180.535   3.964  -1.027
   97    H    ILE  14           HN       ILE  14 182.566   2.297  -5.454
   98    HA   ILE  14           HA       ILE  14 179.794   2.478  -5.974
   99    HB   ILE  14           HB       ILE  14 182.262   3.597  -7.130
  100   1HG1  ILE  14          2HG1      ILE  14 180.901   5.642  -7.142
  101   2HG1  ILE  14          1HG1      ILE  14 179.474   4.699  -6.724
  102   1HG2  ILE  14          1HG2      ILE  14 180.978   4.407  -9.171
  103   2HG2  ILE  14          2HG2      ILE  14 179.849   3.090  -8.847
  104   3HG2  ILE  14          3HG2      ILE  14 181.541   2.735  -9.191
  105   1HD1  ILE  14          HD11      ILE  14 181.890   4.680  -4.965
  106   2HD1  ILE  14          HD12      ILE  14 180.213   4.312  -4.563
  107   3HD1  ILE  14          HD13      ILE  14 180.701   5.979  -4.871
  108    H    GLU  15           HN       GLU  15 182.452   0.947  -7.795
  109    HA   GLU  15           HA       GLU  15 180.777  -0.192  -9.768
  110   1HB   GLU  15          HB2       GLU  15 183.546  -1.024  -8.893
  111   2HB   GLU  15          HB1       GLU  15 182.747  -1.539 -10.372
  112   1HG   GLU  15          HG2       GLU  15 183.137   1.364  -9.809
  113   2HG   GLU  15          HG1       GLU  15 184.464   0.393 -10.444
  114    H    GLU  16           HN       GLU  16 181.957  -1.386  -6.663
  115    HA   GLU  16           HA       GLU  16 181.248  -4.086  -7.008
  116   1HB   GLU  16          HB2       GLU  16 182.691  -2.923  -5.212
  117   2HB   GLU  16          HB1       GLU  16 181.175  -2.650  -4.378
  118   1HG   GLU  16          HG2       GLU  16 181.069  -5.323  -5.007
  119   2HG   GLU  16          HG1       GLU  16 182.768  -5.063  -4.619
  120    H    LEU  17           HN       LEU  17 179.513  -1.421  -5.431
  121    HA   LEU  17           HA       LEU  17 177.205  -2.975  -4.851
  122   1HB   LEU  17          HB2       LEU  17 177.692  -0.001  -4.864
  123   2HB   LEU  17          HB1       LEU  17 176.188  -0.734  -4.344
  124    HG   LEU  17           HG       LEU  17 178.892  -0.957  -3.039
  125   1HD1  LEU  17          HD11      LEU  17 177.257   1.002  -2.659
  126   2HD1  LEU  17          HD12      LEU  17 177.958   0.194  -1.257
  127   3HD1  LEU  17          HD13      LEU  17 176.307  -0.176  -1.754
  128   1HD2  LEU  17          HD21      LEU  17 178.079  -3.152  -2.878
  129   2HD2  LEU  17          HD22      LEU  17 176.420  -2.610  -2.629
  130   3HD2  LEU  17          HD23      LEU  17 177.620  -2.387  -1.357
  131    H    VAL  18           HN       VAL  18 178.276  -1.039  -7.524
  132    HA   VAL  18           HA       VAL  18 175.732  -0.749  -8.724
  133    HB   VAL  18           HB       VAL  18 178.164   0.375  -9.208
  134   1HG1  VAL  18          1HG1      VAL  18 178.765  -1.766 -10.463
  135   2HG1  VAL  18          2HG1      VAL  18 179.065  -0.225 -11.266
  136   3HG1  VAL  18          3HG1      VAL  18 177.654  -1.190 -11.706
  137   1HG2  VAL  18          1HG2      VAL  18 176.905   1.112 -11.438
  138   2HG2  VAL  18          2HG2      VAL  18 176.440   1.695  -9.840
  139   3HG2  VAL  18          3HG2      VAL  18 175.554   0.364 -10.586
  140    H    ASN  19           HN       ASN  19 178.256  -3.121  -8.797
  141    HA   ASN  19           HA       ASN  19 177.278  -4.632 -11.001
  142   1HB   ASN  19          HB2       ASN  19 179.625  -4.747 -10.178
  143   2HB   ASN  19          HB1       ASN  19 179.046  -5.547  -8.720
  144   1HD2  ASN  19          HD21      ASN  19 179.301  -7.647  -8.750
  145   2HD2  ASN  19          HD22      ASN  19 179.244  -8.668 -10.143
  146    H    ILE  20           HN       ILE  20 177.074  -5.092  -7.450
  147    HA   ILE  20           HA       ILE  20 175.527  -7.404  -7.507
  148    HB   ILE  20           HB       ILE  20 175.010  -6.959  -5.227
  149   1HG1  ILE  20          2HG1      ILE  20 175.924  -4.132  -5.733
  150   2HG1  ILE  20          1HG1      ILE  20 174.268  -4.638  -5.405
  151   1HG2  ILE  20          1HG2      ILE  20 177.653  -5.712  -5.184
  152   2HG2  ILE  20          2HG2      ILE  20 177.530  -7.157  -6.188
  153   3HG2  ILE  20          3HG2      ILE  20 177.102  -7.232  -4.478
  154   1HD1  ILE  20          HD11      ILE  20 175.264  -5.555  -3.197
  155   2HD1  ILE  20          HD12      ILE  20 174.966  -3.825  -3.368
  156   3HD1  ILE  20          HD13      ILE  20 176.601  -4.461  -3.553
  157    H    THR  21           HN       THR  21 174.571  -3.995  -7.560
  158    HA   THR  21           HA       THR  21 171.764  -4.581  -7.423
  159    HB   THR  21           HB       THR  21 172.717  -2.452  -6.593
  160    HG1  THR  21           1HG      THR  21 170.825  -2.250  -8.691
  161   1HG2  THR  21          1HG2      THR  21 172.951  -1.537  -9.431
  162   2HG2  THR  21          2HG2      THR  21 174.329  -2.199  -8.554
  163   3HG2  THR  21          3HG2      THR  21 173.519  -0.751  -7.958
  164    H    GLN  22           HN       GLN  22 174.121  -4.325  -9.940
  165    HA   GLN  22           HA       GLN  22 172.140  -3.996 -12.036
  166   1HB   GLN  22          HB2       GLN  22 175.134  -4.193 -11.972
  167   2HB   GLN  22          HB1       GLN  22 174.264  -4.375 -13.488
  168   1HG   GLN  22          HG2       GLN  22 173.460  -2.181 -13.427
  169   2HG   GLN  22          HG1       GLN  22 173.843  -1.997 -11.716
  170   1HE2  GLN  22          1HE2      GLN  22 174.803   0.007 -12.715
  171   2HE2  GLN  22          2HE2      GLN  22 176.456  -0.086 -13.208
  172    H    ASN  23           HN       ASN  23 171.409  -6.199 -10.749
  173    HA   ASN  23           HA       ASN  23 172.479  -8.455 -12.299
  174   1HB   ASN  23          HB2       ASN  23 171.383  -8.183  -9.553
  175   2HB   ASN  23          HB1       ASN  23 171.026  -9.677 -10.409
  176   1HD2  ASN  23          HD21      ASN  23 173.628  -7.545  -9.418
  177   2HD2  ASN  23          HD22      ASN  23 174.835  -8.770  -9.285
  178    H    GLN  24           HN       GLN  24 170.955 -10.061 -13.069
  179    HA   GLN  24           HA       GLN  24 168.862  -8.998 -14.548
  180   1HB   GLN  24          HB2       GLN  24 168.985 -11.878 -13.685
  181   2HB   GLN  24          HB1       GLN  24 168.371 -11.212 -15.187
  182   1HG   GLN  24          HG2       GLN  24 170.321 -11.671 -16.113
  183   2HG   GLN  24          HG1       GLN  24 171.035 -10.421 -15.096
  184   1HE2  GLN  24          1HE2      GLN  24 172.131 -12.961 -16.102
  185   2HE2  GLN  24          2HE2      GLN  24 172.659 -13.826 -14.703
  186    H    LYS  25           HN       LYS  25 166.580 -10.189 -14.380
  187    HA   LYS  25           HA       LYS  25 165.243  -9.030 -12.216
  188   1HB   LYS  25          HB2       LYS  25 164.260 -11.333 -13.906
  189   2HB   LYS  25          HB1       LYS  25 163.273 -10.197 -12.997
  190   1HG   LYS  25          HG2       LYS  25 164.976  -9.575 -15.400
  191   2HG   LYS  25          HG1       LYS  25 163.213  -9.643 -15.337
  192   1HD   LYS  25          HD2       LYS  25 163.386  -7.416 -15.036
  193   2HD   LYS  25          HD1       LYS  25 163.718  -7.863 -13.362
  194   1HE   LYS  25          HE2       LYS  25 165.338  -6.232 -14.328
  195   2HE   LYS  25          HE1       LYS  25 166.076  -7.711 -13.715
  196   1HZ   LYS  25          HZ1       LYS  25 165.337  -7.559 -16.552
  197   2HZ   LYS  25          HZ2       LYS  25 166.577  -8.439 -15.811
  198   3HZ   LYS  25          HZ3       LYS  25 166.740  -6.770 -16.031
  199    H    ALA  26           HN       ALA  26 166.842 -12.078 -12.502
  200    HA   ALA  26           HA       ALA  26 165.574 -13.713 -10.716
  201   1HB   ALA  26          HB1       ALA  26 167.398 -14.643 -11.819
  202   2HB   ALA  26          HB2       ALA  26 167.948 -14.526 -10.147
  203   3HB   ALA  26          HB3       ALA  26 168.480 -13.336 -11.335
  204    HA   PRO  27           HA       PRO  27 165.914 -11.845  -6.730
  205   1HB   PRO  27          HB2       PRO  27 165.575 -13.894  -5.123
  206   2HB   PRO  27          HB1       PRO  27 164.298 -13.463  -6.278
  207   1HG   PRO  27          HG2       PRO  27 166.521 -15.417  -6.619
  208   2HG   PRO  27          HG1       PRO  27 164.782 -15.758  -6.747
  209   1HD   PRO  27          HD2       PRO  27 166.252 -15.274  -8.929
  210   2HD   PRO  27          HD1       PRO  27 164.620 -14.581  -8.780
  211    H    LEU  28           HN       LEU  28 167.053 -12.186  -4.537
  212    HA   LEU  28           HA       LEU  28 169.779 -13.206  -4.959
  213   1HB   LEU  28          HB2       LEU  28 169.643 -10.709  -5.187
  214   2HB   LEU  28          HB1       LEU  28 169.125 -10.642  -3.513
  215    HG   LEU  28           HG       LEU  28 171.247 -11.538  -2.768
  216   1HD1  LEU  28          HD11      LEU  28 171.938 -11.691  -5.697
  217   2HD1  LEU  28          HD12      LEU  28 171.734 -13.047  -4.588
  218   3HD1  LEU  28          HD13      LEU  28 173.078 -11.926  -4.372
  219   1HD2  LEU  28          HD21      LEU  28 172.735  -9.704  -4.009
  220   2HD2  LEU  28          HD22      LEU  28 171.541  -9.291  -2.779
  221   3HD2  LEU  28          HD23      LEU  28 171.136  -9.134  -4.488
  222    H    CYS  29           HN       CYS  29 170.793 -14.086  -3.169
  223    HA   CYS  29           HA       CYS  29 170.962 -15.179  -1.185
  224   1HB   CYS  29          HB2       CYS  29 168.942 -13.159  -0.194
  225   2HB   CYS  29          HB1       CYS  29 170.017 -14.137   0.797
  226    H    ASN  30           HN       ASN  30 169.061 -16.084  -3.128
  227    HA   ASN  30           HA       ASN  30 167.231 -17.425  -3.408
  228   1HB   ASN  30          HB2       ASN  30 167.225 -19.380  -1.962
  229   2HB   ASN  30          HB1       ASN  30 168.880 -18.931  -2.359
  230   1HD2  ASN  30          HD21      ASN  30 166.579 -19.398   0.116
  231   2HD2  ASN  30          HD22      ASN  30 167.600 -19.012   1.455
  232    H    GLY  31           HN       GLY  31 166.652 -14.922  -2.003
  233   1HA   GLY  31          HA2       GLY  31 164.622 -14.043  -1.279
  234   2HA   GLY  31          HA1       GLY  31 164.039 -15.679  -1.010
  235    H    SER  32           HN       SER  32 165.196 -12.861   0.428
  236    HA   SER  32           HA       SER  32 164.789 -13.898   3.058
  237   1HB   SER  32          HB2       SER  32 167.593 -12.949   2.468
  238   2HB   SER  32          HB1       SER  32 166.989 -13.688   3.950
  239    HG   SER  32           HG       SER  32 166.790 -15.634   2.873
  240    H    MET  33           HN       MET  33 163.555 -12.269   3.760
  241    HA   MET  33           HA       MET  33 163.672  -9.624   2.899
  242   1HB   MET  33          HB2       MET  33 162.643 -10.528   5.582
  243   2HB   MET  33          HB1       MET  33 162.123  -9.150   4.635
  244   1HG   MET  33          HG2       MET  33 161.677 -12.042   3.986
  245   2HG   MET  33          HG1       MET  33 160.467 -10.872   4.503
  246   1HE   MET  33          HE1       MET  33 158.962  -9.511   1.921
  247   2HE   MET  33          HE2       MET  33 160.275  -8.335   1.985
  248   3HE   MET  33          HE3       MET  33 159.690  -9.085   3.470
  249    H    VAL  34           HN       VAL  34 164.193  -7.715   4.183
  250    HA   VAL  34           HA       VAL  34 166.258  -8.109   6.214
  251    HB   VAL  34           HB       VAL  34 167.378  -6.028   4.865
  252   1HG1  VAL  34          1HG1      VAL  34 169.168  -7.383   4.799
  253   2HG1  VAL  34          2HG1      VAL  34 168.304  -8.655   3.936
  254   3HG1  VAL  34          3HG1      VAL  34 168.131  -8.501   5.685
  255   1HG2  VAL  34          1HG2      VAL  34 167.567  -6.862   2.484
  256   2HG2  VAL  34          2HG2      VAL  34 166.031  -6.118   2.922
  257   3HG2  VAL  34          3HG2      VAL  34 166.163  -7.872   2.819
  258    H    TRP  35           HN       TRP  35 167.060  -5.733   6.864
  259    HA   TRP  35           HA       TRP  35 164.648  -4.378   7.790
  260   1HB   TRP  35          HB2       TRP  35 167.187  -4.963   8.892
  261   2HB   TRP  35          HB1       TRP  35 167.066  -3.215   8.790
  262    HD1  TRP  35           HD1      TRP  35 166.899  -5.279  11.428
  263    HE1  TRP  35           HE1      TRP  35 165.013  -4.802  13.098
  264    HE3  TRP  35           HE3      TRP  35 163.823  -2.502   8.430
  265    HZ2  TRP  35           HZ2      TRP  35 162.544  -3.438  13.155
  266    HZ3  TRP  35           HZ3      TRP  35 161.719  -1.648   9.373
  267    HH2  TRP  35           HH2      TRP  35 161.093  -2.108  11.687
  268    H    SER  36           HN       SER  36 166.937  -3.989   5.351
  269    HA   SER  36           HA       SER  36 167.278  -2.370   3.790
  270   1HB   SER  36          HB2       SER  36 164.957  -1.892   3.658
  271   2HB   SER  36          HB1       SER  36 164.963  -1.082   5.219
  272    HG   SER  36           HG       SER  36 165.458   0.686   4.223
  273    H    ILE  37           HN       ILE  37 167.883   0.065   3.637
  274    HA   ILE  37           HA       ILE  37 169.939   0.527   5.515
  275    HB   ILE  37           HB       ILE  37 168.913   2.327   3.327
  276   1HG1  ILE  37          2HG1      ILE  37 169.519  -0.050   2.609
  277   2HG1  ILE  37          1HG1      ILE  37 170.374   1.256   1.797
  278   1HG2  ILE  37          1HG2      ILE  37 171.399   2.933   3.367
  279   2HG2  ILE  37          2HG2      ILE  37 171.369   2.204   4.971
  280   3HG2  ILE  37          3HG2      ILE  37 170.326   3.574   4.607
  281   1HD1  ILE  37          HD11      ILE  37 171.624   0.058   4.203
  282   2HD1  ILE  37          HD12      ILE  37 172.367   0.728   2.751
  283   3HD1  ILE  37          HD13      ILE  37 171.625  -0.871   2.704
  284    H    ASN  38           HN       ASN  38 170.243   2.617   6.568
  285    HA   ASN  38           HA       ASN  38 167.712   3.792   7.511
  286   1HB   ASN  38          HB2       ASN  38 170.087   2.836   8.971
  287   2HB   ASN  38          HB1       ASN  38 169.501   4.411   9.483
  288   1HD2  ASN  38          HD21      ASN  38 166.854   4.207   9.248
  289   2HD2  ASN  38          HD22      ASN  38 166.228   2.984  10.294
  290    H    LEU  39           HN       LEU  39 168.039   5.167   5.596
  291    HA   LEU  39           HA       LEU  39 170.230   6.966   5.465
  292   1HB   LEU  39          HB2       LEU  39 167.560   6.950   4.083
  293   2HB   LEU  39          HB1       LEU  39 168.840   8.101   3.732
  294    HG   LEU  39           HG       LEU  39 170.008   5.536   3.612
  295   1HD1  LEU  39          HD11      LEU  39 167.593   4.819   3.398
  296   2HD1  LEU  39          HD12      LEU  39 168.700   4.294   2.128
  297   3HD1  LEU  39          HD13      LEU  39 167.597   5.640   1.837
  298   1HD2  LEU  39          HD21      LEU  39 170.930   7.142   2.277
  299   2HD2  LEU  39          HD22      LEU  39 169.367   7.742   1.723
  300   3HD2  LEU  39          HD23      LEU  39 169.999   6.218   1.097
  301    H    THR  40           HN       THR  40 169.778   7.330   7.803
  302    HA   THR  40           HA       THR  40 168.921  10.038   8.113
  303    HB   THR  40           HB       THR  40 166.719   9.243   8.321
  304    HG1  THR  40           1HG      THR  40 167.332  10.548  10.098
  305   1HG2  THR  40          1HG2      THR  40 165.975   7.321   9.373
  306   2HG2  THR  40          2HG2      THR  40 167.453   7.146  10.319
  307   3HG2  THR  40          3HG2      THR  40 167.467   6.803   8.589
  308    H    ALA  41           HN       ALA  41 169.421   7.057   9.996
  309    HA   ALA  41           HA       ALA  41 171.561   8.411  11.472
  310   1HB   ALA  41          HB1       ALA  41 169.779   8.667  12.991
  311   2HB   ALA  41          HB2       ALA  41 170.688   7.273  13.573
  312   3HB   ALA  41          HB3       ALA  41 169.180   7.036  12.690
  313    H    GLY  42           HN       GLY  42 173.278   7.227  10.861
  314   1HA   GLY  42          HA2       GLY  42 174.660   5.412  10.573
  315   2HA   GLY  42          HA1       GLY  42 173.644   4.585  11.742
  316    H    MET  43           HN       MET  43 173.823   5.502   8.349
  317    HA   MET  43           HA       MET  43 171.875   3.497   7.610
  318   1HB   MET  43          HB2       MET  43 172.917   4.382   5.229
  319   2HB   MET  43          HB1       MET  43 171.513   5.046   6.035
  320   1HG   MET  43          HG2       MET  43 172.999   6.690   7.151
  321   2HG   MET  43          HG1       MET  43 174.335   6.072   6.180
  322   1HE   MET  43          HE1       MET  43 174.732   7.790   3.563
  323   2HE   MET  43          HE2       MET  43 175.078   7.869   5.290
  324   3HE   MET  43          HE3       MET  43 174.230   9.198   4.499
  325    H    TYR  44           HN       TYR  44 175.371   3.946   7.351
  326    HA   TYR  44           HA       TYR  44 175.867   1.696   5.710
  327   1HB   TYR  44          HB2       TYR  44 177.496   3.471   7.449
  328   2HB   TYR  44          HB1       TYR  44 178.176   1.889   7.084
  329    HD1  TYR  44           HD1      TYR  44 176.552   4.761   5.334
  330    HD2  TYR  44           HD2      TYR  44 179.486   1.687   5.185
  331    HE1  TYR  44           HE1      TYR  44 177.322   5.609   3.158
  332    HE2  TYR  44           HE2      TYR  44 180.266   2.526   3.012
  333    HH   TYR  44           HH       TYR  44 180.175   4.914   1.819
  334    H    CYS  45           HN       CYS  45 176.430   2.080   9.214
  335    HA   CYS  45           HA       CYS  45 176.878  -0.611   9.773
  336   1HB   CYS  45          HB2       CYS  45 177.195   1.453  11.285
  337   2HB   CYS  45          HB1       CYS  45 175.504   1.231  11.716
  338    H    ALA  46           HN       ALA  46 173.951   1.105   9.133
  339    HA   ALA  46           HA       ALA  46 172.113  -0.690  10.325
  340   1HB   ALA  46          HB1       ALA  46 172.001   1.603   8.523
  341   2HB   ALA  46          HB2       ALA  46 170.883   1.106   9.793
  342   3HB   ALA  46          HB3       ALA  46 170.765   0.391   8.185
  343    H    ALA  47           HN       ALA  47 173.274  -0.337   6.982
  344    HA   ALA  47           HA       ALA  47 171.945  -2.631   5.991
  345   1HB   ALA  47          HB1       ALA  47 174.375  -1.957   4.550
  346   2HB   ALA  47          HB2       ALA  47 173.380  -0.541   4.888
  347   3HB   ALA  47          HB3       ALA  47 172.695  -1.913   4.017
  348    H    LEU  48           HN       LEU  48 174.885  -2.175   7.760
  349    HA   LEU  48           HA       LEU  48 176.133  -4.627   7.002
  350   1HB   LEU  48          HB2       LEU  48 177.518  -2.858   7.793
  351   2HB   LEU  48          HB1       LEU  48 176.556  -2.660   9.242
  352    HG   LEU  48           HG       LEU  48 177.311  -4.988   9.915
  353   1HD1  LEU  48          HD11      LEU  48 179.718  -4.725   8.265
  354   2HD1  LEU  48          HD12      LEU  48 178.257  -5.144   7.371
  355   3HD1  LEU  48          HD13      LEU  48 178.793  -6.160   8.709
  356   1HD2  LEU  48          HD21      LEU  48 178.367  -3.487  11.226
  357   2HD2  LEU  48          HD22      LEU  48 178.890  -2.499   9.861
  358   3HD2  LEU  48          HD23      LEU  48 179.774  -3.968  10.277
  359    H    GLU  49           HN       GLU  49 174.142  -3.497   9.678
  360    HA   GLU  49           HA       GLU  49 174.290  -5.905  11.131
  361   1HB   GLU  49          HB2       GLU  49 172.482  -4.997  12.505
  362   2HB   GLU  49          HB1       GLU  49 173.738  -3.800  12.231
  363   1HG   GLU  49          HG2       GLU  49 172.413  -2.543  10.815
  364   2HG   GLU  49          HG1       GLU  49 171.324  -3.886  10.475
  365    H    SER  50           HN       SER  50 172.080  -4.672   8.699
  366    HA   SER  50           HA       SER  50 170.195  -6.813   9.018
  367   1HB   SER  50          HB2       SER  50 170.206  -5.345   6.459
  368   2HB   SER  50          HB1       SER  50 168.888  -5.636   7.591
  369    HG   SER  50           HG       SER  50 170.228  -3.413   7.262
  370    H    LEU  51           HN       LEU  51 173.011  -6.183   7.048
  371    HA   LEU  51           HA       LEU  51 172.539  -8.309   5.193
  372   1HB   LEU  51          HB2       LEU  51 174.820  -6.477   5.798
  373   2HB   LEU  51          HB1       LEU  51 175.094  -7.889   4.798
  374    HG   LEU  51           HG       LEU  51 172.923  -5.920   4.141
  375   1HD1  LEU  51          HD11      LEU  51 174.873  -5.238   2.425
  376   2HD1  LEU  51          HD12      LEU  51 175.841  -5.613   3.850
  377   3HD1  LEU  51          HD13      LEU  51 174.571  -4.393   3.943
  378   1HD2  LEU  51          HD21      LEU  51 173.442  -8.358   3.119
  379   2HD2  LEU  51          HD22      LEU  51 174.458  -7.360   2.079
  380   3HD2  LEU  51          HD23      LEU  51 172.728  -7.038   2.193
  381    H    ILE  52           HN       ILE  52 174.266  -7.975   8.233
  382    HA   ILE  52           HA       ILE  52 175.807 -10.312   8.108
  383    HB   ILE  52           HB       ILE  52 176.094  -8.523   9.811
  384   1HG1  ILE  52          2HG1      ILE  52 175.748 -10.880  11.525
  385   2HG1  ILE  52          1HG1      ILE  52 176.588 -11.221  10.015
  386   1HG2  ILE  52          1HG2      ILE  52 174.368  -9.460  11.842
  387   2HG2  ILE  52          2HG2      ILE  52 173.383  -9.175  10.407
  388   3HG2  ILE  52          3HG2      ILE  52 174.382  -7.878  11.063
  389   1HD1  ILE  52          HD11      ILE  52 177.690 -10.214  12.342
  390   2HD1  ILE  52          HD12      ILE  52 177.592  -8.821  11.265
  391   3HD1  ILE  52          HD13      ILE  52 178.449 -10.275  10.751
  392    H    ASN  53           HN       ASN  53 172.421  -9.870   8.624
  393    HA   ASN  53           HA       ASN  53 172.088 -12.554   9.712
  394   1HB   ASN  53          HB2       ASN  53 170.377 -10.137   9.472
  395   2HB   ASN  53          HB1       ASN  53 169.562 -11.698   9.444
  396   1HD2  ASN  53          HD21      ASN  53 172.477 -10.772  11.197
  397   2HD2  ASN  53          HD22      ASN  53 171.827 -11.034  12.776
  398    H    VAL  54           HN       VAL  54 172.848 -11.735   6.809
  399    HA   VAL  54           HA       VAL  54 170.660 -12.815   5.265
  400    HB   VAL  54           HB       VAL  54 173.465 -12.079   4.411
  401   1HG1  VAL  54          1HG1      VAL  54 171.023 -12.817   2.809
  402   2HG1  VAL  54          2HG1      VAL  54 172.581 -13.643   2.839
  403   3HG1  VAL  54          3HG1      VAL  54 172.448 -12.036   2.124
  404   1HG2  VAL  54          1HG2      VAL  54 171.540 -10.373   5.271
  405   2HG2  VAL  54          2HG2      VAL  54 171.184 -10.445   3.545
  406   3HG2  VAL  54          3HG2      VAL  54 172.787  -9.959   4.096
  407    H    SER  55           HN       SER  55 170.566 -14.790   4.267
  408    HA   SER  55           HA       SER  55 172.749 -16.686   4.785
  409   1HB   SER  55          HB2       SER  55 169.993 -17.775   4.903
  410   2HB   SER  55          HB1       SER  55 171.425 -18.224   5.828
  411    HG   SER  55           HG       SER  55 169.414 -16.635   6.553
  412    H    GLY  56           HN       GLY  56 173.248 -17.994   3.107
  413   1HA   GLY  56          HA2       GLY  56 173.046 -19.078   1.070
  414   2HA   GLY  56          HA1       GLY  56 171.369 -18.558   0.999
  415    H    CYS  57           HN       CYS  57 174.253 -16.542   1.351
  416    HA   CYS  57           HA       CYS  57 173.903 -15.552  -1.381
  417   1HB   CYS  57          HB2       CYS  57 173.041 -14.131   0.912
  418   2HB   CYS  57          HB1       CYS  57 174.505 -13.333   0.349
  419    H    SER  58           HN       SER  58 175.790 -14.442   1.416
  420    HA   SER  58           HA       SER  58 178.024 -14.482   1.858
  421   1HB   SER  58          HB2       SER  58 177.667 -16.817   0.525
  422   2HB   SER  58          HB1       SER  58 178.827 -16.010  -0.535
  423    HG   SER  58           HG       SER  58 180.037 -15.614   1.501
  424    H    ALA  59           HN       ALA  59 177.429 -14.230  -1.663
  425    HA   ALA  59           HA       ALA  59 179.621 -12.779  -2.420
  426   1HB   ALA  59          HB1       ALA  59 176.795 -12.437  -3.410
  427   2HB   ALA  59          HB2       ALA  59 177.984 -13.593  -4.010
  428   3HB   ALA  59          HB3       ALA  59 178.243 -11.863  -4.237
  429    H    ILE  60           HN       ILE  60 176.753 -11.607  -0.773
  430    HA   ILE  60           HA       ILE  60 177.315  -8.848  -1.035
  431    HB   ILE  60           HB       ILE  60 175.705  -8.684   0.937
  432   1HG1  ILE  60          2HG1      ILE  60 174.453 -11.197   0.559
  433   2HG1  ILE  60          1HG1      ILE  60 176.146 -11.512   0.920
  434   1HG2  ILE  60          1HG2      ILE  60 174.724 -10.088  -1.533
  435   2HG2  ILE  60          2HG2      ILE  60 175.114  -8.370  -1.442
  436   3HG2  ILE  60          3HG2      ILE  60 173.793  -9.027  -0.476
  437   1HD1  ILE  60          HD11      ILE  60 174.148 -11.048   2.742
  438   2HD1  ILE  60          HD12      ILE  60 175.012  -9.511   2.671
  439   3HD1  ILE  60          HD13      ILE  60 175.884 -10.996   3.050
  440    H    GLU  61           HN       GLU  61 178.846 -11.223   0.803
  441    HA   GLU  61           HA       GLU  61 179.347 -10.087   3.252
  442   1HB   GLU  61          HB2       GLU  61 180.911 -11.887   1.457
  443   2HB   GLU  61          HB1       GLU  61 181.681 -11.247   2.896
  444   1HG   GLU  61          HG2       GLU  61 179.337 -12.136   3.920
  445   2HG   GLU  61          HG1       GLU  61 179.610 -13.295   2.620
  446    H    LYS  62           HN       LYS  62 180.845  -9.359   0.159
  447    HA   LYS  62           HA       LYS  62 182.989  -7.804   1.013
  448   1HB   LYS  62          HB2       LYS  62 181.375  -7.988  -1.472
  449   2HB   LYS  62          HB1       LYS  62 182.341  -6.534  -1.267
  450   1HG   LYS  62          HG2       LYS  62 184.306  -7.635  -1.504
  451   2HG   LYS  62          HG1       LYS  62 183.691  -9.118  -0.770
  452   1HD   LYS  62          HD2       LYS  62 183.798  -9.843  -2.919
  453   2HD   LYS  62          HD1       LYS  62 182.200  -9.097  -2.988
  454   1HE   LYS  62          HE2       LYS  62 182.947  -7.286  -4.186
  455   2HE   LYS  62          HE1       LYS  62 184.592  -7.419  -3.566
  456   1HZ   LYS  62          HZ1       LYS  62 183.535  -9.542  -5.301
  457   2HZ   LYS  62          HZ2       LYS  62 185.132  -9.027  -5.088
  458   3HZ   LYS  62          HZ3       LYS  62 184.057  -8.092  -6.000
  459    H    THR  63           HN       THR  63 179.672  -6.809   0.234
  460    HA   THR  63           HA       THR  63 180.015  -4.073   0.842
  461    HB   THR  63           HB       THR  63 177.571  -5.848   0.752
  462    HG1  THR  63           1HG      THR  63 178.758  -3.991  -1.011
  463   1HG2  THR  63          1HG2      THR  63 176.569  -3.377   0.380
  464   2HG2  THR  63          2HG2      THR  63 177.787  -3.053   1.614
  465   3HG2  THR  63          3HG2      THR  63 176.525  -4.248   1.913
  466    H    GLN  64           HN       GLN  64 179.218  -6.877   2.796
  467    HA   GLN  64           HA       GLN  64 178.300  -5.582   5.097
  468   1HB   GLN  64          HB2       GLN  64 179.425  -8.239   4.458
  469   2HB   GLN  64          HB1       GLN  64 179.560  -7.746   6.140
  470   1HG   GLN  64          HG2       GLN  64 177.430  -8.203   6.512
  471   2HG   GLN  64          HG1       GLN  64 176.922  -7.198   5.155
  472   1HE2  GLN  64          1HE2      GLN  64 176.720 -10.192   6.373
  473   2HE2  GLN  64          2HE2      GLN  64 176.502 -11.105   4.924
  474    H    ARG  65           HN       ARG  65 181.569  -6.946   4.620
  475    HA   ARG  65           HA       ARG  65 182.763  -5.788   6.804
  476   1HB   ARG  65          HB2       ARG  65 183.916  -6.553   4.129
  477   2HB   ARG  65          HB1       ARG  65 184.911  -6.017   5.476
  478   1HG   ARG  65          HG2       ARG  65 183.064  -8.147   6.201
  479   2HG   ARG  65          HG1       ARG  65 184.198  -8.606   4.928
  480   1HD   ARG  65          HD2       ARG  65 184.838  -7.549   7.675
  481   2HD   ARG  65          HD1       ARG  65 185.197  -9.148   7.026
  482    HE   ARG  65           HE       ARG  65 186.480  -7.384   5.360
  483   1HH1  ARG  65          HH11      ARG  65 186.558  -8.109   8.773
  484   2HH1  ARG  65          HH12      ARG  65 188.220  -7.661   8.957
  485   1HH2  ARG  65          HH21      ARG  65 188.666  -6.795   5.601
  486   2HH2  ARG  65          HH22      ARG  65 189.418  -6.914   7.157
  487    H    MET  66           HN       MET  66 182.545  -4.546   3.497
  488    HA   MET  66           HA       MET  66 184.019  -2.216   3.768
  489   1HB   MET  66          HB2       MET  66 181.922  -3.215   1.963
  490   2HB   MET  66          HB1       MET  66 182.032  -1.464   2.043
  491   1HG   MET  66          HG2       MET  66 184.662  -2.324   1.810
  492   2HG   MET  66          HG1       MET  66 183.748  -3.369   0.726
  493   1HE   MET  66          HE1       MET  66 184.275  -1.813  -2.179
  494   2HE   MET  66          HE2       MET  66 185.134  -2.732  -0.943
  495   3HE   MET  66          HE3       MET  66 185.650  -1.094  -1.342
  496    H    LEU  67           HN       LEU  67 180.707  -2.906   4.676
  497    HA   LEU  67           HA       LEU  67 179.990  -0.220   5.285
  498   1HB   LEU  67          HB2       LEU  67 178.797  -2.905   5.914
  499   2HB   LEU  67          HB1       LEU  67 178.108  -1.423   6.538
  500    HG   LEU  67           HG       LEU  67 178.532  -1.842   3.594
  501   1HD1  LEU  67          HD11      LEU  67 176.215  -2.697   5.306
  502   2HD1  LEU  67          HD12      LEU  67 177.154  -3.666   4.170
  503   3HD1  LEU  67          HD13      LEU  67 176.068  -2.411   3.572
  504   1HD2  LEU  67          HD21      LEU  67 177.512   0.123   3.337
  505   2HD2  LEU  67          HD22      LEU  67 177.841   0.378   5.050
  506   3HD2  LEU  67          HD23      LEU  67 176.277  -0.256   4.538
  507    H    SER  68           HN       SER  68 181.089  -2.998   7.188
  508    HA   SER  68           HA       SER  68 180.795  -1.929   9.735
  509   1HB   SER  68          HB2       SER  68 181.417  -4.302   9.190
  510   2HB   SER  68          HB1       SER  68 183.052  -3.736   8.852
  511    HG   SER  68           HG       SER  68 183.344  -3.272  10.956
  512    H    GLY  69           HN       GLY  69 183.484  -1.664   7.476
  513   1HA   GLY  69          HA2       GLY  69 185.351  -0.392   9.021
  514   2HA   GLY  69          HA1       GLY  69 185.163  -0.121   7.300
  515    H    PHE  70           HN       PHE  70 182.372   0.909   7.803
  516    HA   PHE  70           HA       PHE  70 183.183   3.598   8.681
  517   1HB   PHE  70          HB2       PHE  70 181.146   2.663   6.673
  518   2HB   PHE  70          HB1       PHE  70 181.095   4.290   7.344
  519    HD1  PHE  70           HD1      PHE  70 183.615   1.972   5.851
  520    HD2  PHE  70           HD2      PHE  70 182.084   5.935   6.100
  521    HE1  PHE  70           HE1      PHE  70 185.258   2.708   4.174
  522    HE2  PHE  70           HE2      PHE  70 183.723   6.678   4.422
  523    HZ   PHE  70           HZ       PHE  70 185.313   5.063   3.457
  524    H    CYS  71           HN       CYS  71 181.033   0.974   9.308
  525    HA   CYS  71           HA       CYS  71 178.869   2.136  10.524
  526   1HB   CYS  71          HB2       CYS  71 178.672  -0.152  10.434
  527   2HB   CYS  71          HB1       CYS  71 180.338  -0.424  10.921
  528    HA   PRO  72           HA       PRO  72 180.935   4.213  13.940
  529   1HB   PRO  72          HB2       PRO  72 178.916   5.812  14.650
  530   2HB   PRO  72          HB1       PRO  72 179.815   6.086  13.152
  531   1HG   PRO  72          HG2       PRO  72 177.141   4.808  13.551
  532   2HG   PRO  72          HG1       PRO  72 177.665   5.938  12.290
  533   1HD   PRO  72          HD2       PRO  72 177.506   3.197  11.977
  534   2HD   PRO  72          HD1       PRO  72 178.526   4.267  10.996
  535    H    HIS  73           HN       HIS  73 180.113   1.609  14.471
  536    HA   HIS  73           HA       HIS  73 179.679   1.623  17.213
  537   1HB   HIS  73          HB2       HIS  73 177.279   2.093  15.816
  538   2HB   HIS  73          HB1       HIS  73 177.199   0.419  16.354
  539    HD1  HIS  73           HD1      HIS  73 175.297   2.483  17.556
  540    HD2  HIS  73           HD2      HIS  73 178.988   1.514  19.201
  541    HE1  HIS  73           HE1      HIS  73 175.134   3.107  19.986
  542    HE2  HIS  73           HE2      HIS  73 177.407   2.591  20.943
  543    H    LYS  74           HN       LYS  74 178.263  -0.782  17.560
  544    HA   LYS  74           HA       LYS  74 179.807  -2.698  15.947
  545   1HB   LYS  74          HB2       LYS  74 179.771  -2.328  18.877
  546   2HB   LYS  74          HB1       LYS  74 179.643  -3.993  18.325
  547   1HG   LYS  74          HG2       LYS  74 181.920  -3.700  18.588
  548   2HG   LYS  74          HG1       LYS  74 181.686  -3.434  16.860
  549   1HD   LYS  74          HD2       LYS  74 181.954  -1.127  17.055
  550   2HD   LYS  74          HD1       LYS  74 181.624  -1.141  18.789
  551   1HE   LYS  74          HE2       LYS  74 184.017  -0.761  18.209
  552   2HE   LYS  74          HE1       LYS  74 183.740  -2.155  19.252
  553   1HZ   LYS  74          HZ1       LYS  74 184.195  -2.239  16.318
  554   2HZ   LYS  74          HZ2       LYS  74 183.894  -3.584  17.297
  555   3HZ   LYS  74          HZ3       LYS  74 185.310  -2.684  17.510
  556    H    VAL  75           HN       VAL  75 178.519  -4.082  14.941
  557    HA   VAL  75           HA       VAL  75 176.292  -5.308  16.286
  558    HB   VAL  75           HB       VAL  75 175.219  -3.262  15.496
  559   1HG1  VAL  75          1HG1      VAL  75 175.262  -2.475  13.334
  560   2HG1  VAL  75          2HG1      VAL  75 175.676  -4.048  12.654
  561   3HG1  VAL  75          3HG1      VAL  75 176.898  -3.109  13.511
  562   1HG2  VAL  75          1HG2      VAL  75 173.338  -4.250  14.497
  563   2HG2  VAL  75          2HG2      VAL  75 174.078  -5.541  15.444
  564   3HG2  VAL  75          3HG2      VAL  75 174.308  -5.486  13.696
  565    H    SER  76           HN       SER  76 177.329  -7.255  15.893
  566    HA   SER  76           HA       SER  76 177.576  -8.107  13.130
  567   1HB   SER  76          HB2       SER  76 179.709  -7.950  14.412
  568   2HB   SER  76          HB1       SER  76 179.045  -9.123  15.549
  569    HG   SER  76           HG       SER  76 179.718  -9.481  12.829
  570    H    ALA  77           HN       ALA  77 178.095 -10.575  14.532
  571    HA   ALA  77           HA       ALA  77 175.334 -11.558  14.687
  572   1HB   ALA  77          HB1       ALA  77 176.740 -13.834  14.468
  573   2HB   ALA  77          HB2       ALA  77 177.835 -12.724  13.644
  574   3HB   ALA  77          HB3       ALA  77 176.174 -12.905  13.080
  575    H    GLY  78           HN       GLY  78 174.774 -11.357  16.802
  576   1HA   GLY  78          HA2       GLY  78 176.590 -12.030  18.932
  577   2HA   GLY  78          HA1       GLY  78 174.902 -11.574  19.104
  578    H    GLN  79           HN       GLN  79 173.431 -13.119  19.513
  579    HA   GLN  79           HA       GLN  79 174.343 -15.761  20.104
  580   1HB   GLN  79          HB2       GLN  79 171.976 -16.194  20.687
  581   2HB   GLN  79          HB1       GLN  79 172.616 -14.754  21.468
  582   1HG   GLN  79          HG2       GLN  79 171.549 -13.729  19.180
  583   2HG   GLN  79          HG1       GLN  79 170.437 -15.044  19.548
  584   1HE2  GLN  79          1HE2      GLN  79 170.650 -14.970  22.339
  585   2HE2  GLN  79          2HE2      GLN  79 169.905 -13.518  22.905
  586    H    PHE  80           HN       PHE  80 172.674 -17.594  19.348
  587    HA   PHE  80           HA       PHE  80 173.292 -18.210  16.725
  588   1HB   PHE  80          HB2       PHE  80 171.851 -20.070  16.929
  589   2HB   PHE  80          HB1       PHE  80 172.424 -19.757  18.562
  590    HD1  PHE  80           HD1      PHE  80 170.743 -17.665  19.561
  591    HD2  PHE  80           HD2      PHE  80 169.729 -20.924  17.019
  592    HE1  PHE  80           HE1      PHE  80 168.417 -17.551  20.350
  593    HE2  PHE  80           HE2      PHE  80 167.399 -20.815  17.803
  594    HZ   PHE  80           HZ       PHE  80 166.741 -19.126  19.470
  595    H    SER  81           HN       SER  81 170.680 -16.281  17.968
  596    HA   SER  81           HA       SER  81 170.103 -15.120  15.479
  597   1HB   SER  81          HB2       SER  81 168.094 -16.114  14.793
  598   2HB   SER  81          HB1       SER  81 169.082 -17.496  15.267
  599    HG   SER  81           HG       SER  81 167.557 -17.956  16.620
  600    H    SER  82           HN       SER  82 169.319 -13.172  15.916
  601    HA   SER  82           HA       SER  82 168.698 -12.322  18.504
  602   1HB   SER  82          HB2       SER  82 167.490 -10.452  16.861
  603   2HB   SER  82          HB1       SER  82 169.173 -10.427  17.386
  604    HG   SER  82           HG       SER  82 169.804 -11.173  15.473
  605    H    LEU  83           HN       LEU  83 166.378 -12.005  15.869
  606    HA   LEU  83           HA       LEU  83 164.124 -12.293  15.764
  607   1HB   LEU  83          HB2       LEU  83 164.881 -14.448  17.715
  608   2HB   LEU  83          HB1       LEU  83 163.209 -14.179  17.261
  609    HG   LEU  83           HG       LEU  83 164.068 -15.963  15.920
  610   1HD1  LEU  83          HD11      LEU  83 162.806 -13.822  14.897
  611   2HD1  LEU  83          HD12      LEU  83 163.217 -15.256  13.956
  612   3HD1  LEU  83          HD13      LEU  83 164.256 -13.832  13.894
  613   1HD2  LEU  83          HD21      LEU  83 166.493 -15.044  16.236
  614   2HD2  LEU  83          HD22      LEU  83 166.169 -14.226  14.708
  615   3HD2  LEU  83          HD23      LEU  83 166.079 -15.984  14.803
  616    H    HIS  84           HN       HIS  84 165.159 -10.271  17.497
  617    HA   HIS  84           HA       HIS  84 162.921 -10.088  19.398
  618   1HB   HIS  84          HB2       HIS  84 165.391 -10.516  20.306
  619   2HB   HIS  84          HB1       HIS  84 165.499  -8.770  20.103
  620    HD1  HIS  84           HD1      HIS  84 164.034  -7.303  21.658
  621    HD2  HIS  84           HD2      HIS  84 163.748 -11.383  22.392
  622    HE1  HIS  84           HE1      HIS  84 162.880  -7.506  23.883
  623    HE2  HIS  84           HE2      HIS  84 162.795  -9.982  24.346
  624    H    VAL  85           HN       VAL  85 163.267  -9.042  16.682
  625    HA   VAL  85           HA       VAL  85 162.349  -6.394  17.145
  626    HB   VAL  85           HB       VAL  85 164.736  -5.949  17.432
  627   1HG1  VAL  85          1HG1      VAL  85 165.173  -7.890  15.601
  628   2HG1  VAL  85          2HG1      VAL  85 166.374  -6.693  16.085
  629   3HG1  VAL  85          3HG1      VAL  85 165.425  -6.447  14.619
  630   1HG2  VAL  85          1HG2      VAL  85 163.087  -4.758  15.344
  631   2HG2  VAL  85          2HG2      VAL  85 164.813  -4.489  15.104
  632   3HG2  VAL  85          3HG2      VAL  85 164.044  -3.989  16.610
  633    H    ARG  86           HN       ARG  86 160.622  -6.898  15.865
  634    HA   ARG  86           HA       ARG  86 161.189  -7.153  12.997
  635   1HB   ARG  86          HB2       ARG  86 159.228  -8.729  12.832
  636   2HB   ARG  86          HB1       ARG  86 160.656  -9.388  13.617
  637   1HG   ARG  86          HG2       ARG  86 159.160 -10.086  15.139
  638   2HG   ARG  86          HG1       ARG  86 159.343  -8.445  15.765
  639   1HD   ARG  86          HD2       ARG  86 157.287  -7.807  15.069
  640   2HD   ARG  86          HD1       ARG  86 157.357  -8.798  13.613
  641    HE   ARG  86           HE       ARG  86 156.125  -9.489  16.060
  642   1HH1  ARG  86          HH11      ARG  86 158.025 -10.870  13.478
  643   2HH1  ARG  86          HH12      ARG  86 157.392 -12.466  13.698
  644   1HH2  ARG  86          HH21      ARG  86 155.292 -11.589  16.351
  645   2HH2  ARG  86          HH22      ARG  86 155.840 -12.875  15.329
  646    H    ASP  87           HN       ASP  87 159.756  -6.120  11.640
  647    HA   ASP  87           HA       ASP  87 157.243  -5.107  12.447
  648   1HB   ASP  87          HB2       ASP  87 159.611  -3.370  12.822
  649   2HB   ASP  87          HB1       ASP  87 158.214  -2.623  12.055
  650    H    THR  88           HN       THR  88 159.668  -3.457  10.492
  651    HA   THR  88           HA       THR  88 158.044  -4.054   8.108
  652    HB   THR  88           HB       THR  88 159.520  -1.893   7.363
  653    HG1  THR  88           1HG      THR  88 158.866  -1.487  10.091
  654   1HG2  THR  88          1HG2      THR  88 157.294  -1.675   6.907
  655   2HG2  THR  88          2HG2      THR  88 157.472  -0.526   8.233
  656   3HG2  THR  88          3HG2      THR  88 156.800  -2.128   8.538
  657    H    LYS  89           HN       LYS  89 158.971  -5.263   6.595
  658    HA   LYS  89           HA       LYS  89 161.914  -5.408   6.530
  659   1HB   LYS  89          HB2       LYS  89 159.903  -7.507   6.717
  660   2HB   LYS  89          HB1       LYS  89 160.996  -7.754   5.363
  661   1HG   LYS  89          HG2       LYS  89 162.353  -8.719   6.838
  662   2HG   LYS  89          HG1       LYS  89 162.704  -7.086   7.406
  663   1HD   LYS  89          HD2       LYS  89 160.434  -7.584   8.770
  664   2HD   LYS  89          HD1       LYS  89 161.083  -9.220   8.641
  665   1HE   LYS  89          HE2       LYS  89 161.988  -8.412  10.634
  666   2HE   LYS  89          HE1       LYS  89 163.287  -8.203   9.461
  667   1HZ   LYS  89          HZ1       LYS  89 161.415  -5.990   9.947
  668   2HZ   LYS  89          HZ2       LYS  89 163.029  -5.938   9.444
  669   3HZ   LYS  89          HZ3       LYS  89 162.659  -6.279  11.058
  670    H    ILE  90           HN       ILE  90 162.868  -5.856   4.440
  671    HA   ILE  90           HA       ILE  90 161.148  -5.062   2.187
  672    HB   ILE  90           HB       ILE  90 162.685  -3.565   1.328
  673   1HG1  ILE  90          2HG1      ILE  90 164.879  -4.560   3.153
  674   2HG1  ILE  90          1HG1      ILE  90 164.637  -5.189   1.527
  675   1HG2  ILE  90          1HG2      ILE  90 161.788  -3.059   3.752
  676   2HG2  ILE  90          2HG2      ILE  90 162.910  -1.966   2.941
  677   3HG2  ILE  90          3HG2      ILE  90 163.508  -3.107   4.147
  678   1HD1  ILE  90          HD11      ILE  90 164.800  -2.271   1.705
  679   2HD1  ILE  90          HD12      ILE  90 165.542  -3.389   0.561
  680   3HD1  ILE  90          HD13      ILE  90 166.271  -3.137   2.148
  681    H    GLU  91           HN       GLU  91 162.278  -5.566   0.028
  682    HA   GLU  91           HA       GLU  91 162.940  -8.375   0.066
  683   1HB   GLU  91          HB2       GLU  91 162.285  -6.356  -2.026
  684   2HB   GLU  91          HB1       GLU  91 163.191  -7.781  -2.516
  685   1HG   GLU  91          HG2       GLU  91 160.656  -8.027  -0.945
  686   2HG   GLU  91          HG1       GLU  91 160.633  -7.822  -2.696
  687    H    VAL  92           HN       VAL  92 164.910  -9.247  -0.088
  688    HA   VAL  92           HA       VAL  92 167.244  -7.922   0.410
  689    HB   VAL  92           HB       VAL  92 168.146  -9.979  -1.219
  690   1HG1  VAL  92          1HG1      VAL  92 167.712  -9.548   1.670
  691   2HG1  VAL  92          2HG1      VAL  92 169.191  -9.917   0.782
  692   3HG1  VAL  92          3HG1      VAL  92 168.042 -11.202   1.154
  693   1HG2  VAL  92          1HG2      VAL  92 165.683 -10.970   0.206
  694   2HG2  VAL  92          2HG2      VAL  92 166.790 -11.903  -0.801
  695   3HG2  VAL  92          3HG2      VAL  92 165.763 -10.667  -1.530
  696    H    ALA  93           HN       ALA  93 165.766  -8.471  -2.747
  697    HA   ALA  93           HA       ALA  93 167.916  -7.606  -4.340
  698   1HB   ALA  93          HB1       ALA  93 165.187  -6.957  -5.272
  699   2HB   ALA  93          HB2       ALA  93 165.502  -8.650  -4.891
  700   3HB   ALA  93          HB3       ALA  93 166.492  -7.817  -6.090
  701    H    GLN  94           HN       GLN  94 165.018  -5.813  -3.295
  702    HA   GLN  94           HA       GLN  94 165.864  -3.296  -4.203
  703   1HB   GLN  94          HB2       GLN  94 163.610  -4.354  -2.909
  704   2HB   GLN  94          HB1       GLN  94 164.222  -3.115  -1.822
  705   1HG   GLN  94          HG2       GLN  94 163.767  -2.600  -4.740
  706   2HG   GLN  94          HG1       GLN  94 162.493  -2.413  -3.536
  707   1HE2  GLN  94          1HE2      GLN  94 165.713  -1.323  -4.449
  708   2HE2  GLN  94          2HE2      GLN  94 165.597   0.232  -3.705
  709    H    PHE  95           HN       PHE  95 166.516  -5.103  -1.297
  710    HA   PHE  95           HA       PHE  95 167.519  -3.016   0.302
  711   1HB   PHE  95          HB2       PHE  95 166.917  -5.215   1.214
  712   2HB   PHE  95          HB1       PHE  95 168.238  -5.954   0.315
  713    HD1  PHE  95           HD1      PHE  95 170.610  -5.171   0.849
  714    HD2  PHE  95           HD2      PHE  95 167.259  -4.376   3.345
  715    HE1  PHE  95           HE1      PHE  95 172.125  -4.750   2.742
  716    HE2  PHE  95           HE2      PHE  95 168.763  -3.951   5.240
  717    HZ   PHE  95           HZ       PHE  95 171.202  -4.139   4.942
  718    H    VAL  96           HN       VAL  96 169.047  -5.191  -2.000
  719    HA   VAL  96           HA       VAL  96 171.706  -4.319  -1.553
  720    HB   VAL  96           HB       VAL  96 170.606  -5.521  -4.096
  721   1HG1  VAL  96          1HG1      VAL  96 173.060  -4.493  -3.686
  722   2HG1  VAL  96          2HG1      VAL  96 172.733  -5.848  -4.767
  723   3HG1  VAL  96          3HG1      VAL  96 173.318  -6.147  -3.130
  724   1HG2  VAL  96          1HG2      VAL  96 170.534  -6.656  -1.549
  725   2HG2  VAL  96          2HG2      VAL  96 171.934  -7.386  -2.335
  726   3HG2  VAL  96          3HG2      VAL  96 170.344  -7.491  -3.091
  727    H    LYS  97           HN       LYS  97 169.476  -3.659  -4.258
  728    HA   LYS  97           HA       LYS  97 170.977  -1.772  -5.599
  729   1HB   LYS  97          HB2       LYS  97 167.972  -1.789  -5.256
  730   2HB   LYS  97          HB1       LYS  97 168.854  -0.927  -6.510
  731   1HG   LYS  97          HG2       LYS  97 169.011  -2.741  -7.787
  732   2HG   LYS  97          HG1       LYS  97 169.525  -3.749  -6.434
  733   1HD   LYS  97          HD2       LYS  97 167.079  -3.731  -5.710
  734   2HD   LYS  97          HD1       LYS  97 166.729  -3.079  -7.312
  735   1HE   LYS  97          HE2       LYS  97 168.293  -5.614  -6.897
  736   2HE   LYS  97          HE1       LYS  97 166.535  -5.596  -7.034
  737   1HZ   LYS  97          HZ1       LYS  97 168.565  -5.102  -9.076
  738   2HZ   LYS  97          HZ2       LYS  97 167.130  -4.214  -9.182
  739   3HZ   LYS  97          HZ3       LYS  97 167.080  -5.905  -9.198
  740    H    ASP  98           HN       ASP  98 168.677  -1.219  -2.930
  741    HA   ASP  98           HA       ASP  98 168.986   1.557  -2.870
  742   1HB   ASP  98          HB2       ASP  98 167.901  -0.469  -1.016
  743   2HB   ASP  98          HB1       ASP  98 168.350   1.081  -0.310
  744    H    LEU  99           HN       LEU  99 170.360  -0.868  -0.835
  745    HA   LEU  99           HA       LEU  99 172.102   0.460   0.738
  746   1HB   LEU  99          HB2       LEU  99 172.073  -1.800   1.014
  747   2HB   LEU  99          HB1       LEU  99 171.969  -2.067  -0.723
  748    HG   LEU  99           HG       LEU  99 174.585  -1.059   0.158
  749   1HD1  LEU  99          HD11      LEU  99 174.501  -3.866   0.802
  750   2HD1  LEU  99          HD12      LEU  99 173.426  -2.940   1.848
  751   3HD1  LEU  99          HD13      LEU  99 175.132  -2.513   1.739
  752   1HD2  LEU  99          HD21      LEU  99 175.190  -3.217  -1.170
  753   2HD2  LEU  99          HD22      LEU  99 174.547  -1.812  -2.020
  754   3HD2  LEU  99          HD23      LEU  99 173.492  -3.174  -1.643
  755    H    LEU 100           HN       LEU 100 172.400  -0.221  -2.699
  756    HA   LEU 100           HA       LEU 100 175.078   0.691  -2.997
  757   1HB   LEU 100          HB2       LEU 100 174.307  -0.831  -4.622
  758   2HB   LEU 100          HB1       LEU 100 172.847   0.082  -4.910
  759    HG   LEU 100           HG       LEU 100 174.786   0.076  -6.665
  760   1HD1  LEU 100          HD11      LEU 100 172.647   1.348  -6.738
  761   2HD1  LEU 100          HD12      LEU 100 174.005   2.156  -7.520
  762   3HD1  LEU 100          HD13      LEU 100 173.470   2.678  -5.924
  763   1HD2  LEU 100          HD21      LEU 100 176.129   1.281  -4.536
  764   2HD2  LEU 100          HD22      LEU 100 175.754   2.594  -5.647
  765   3HD2  LEU 100          HD23      LEU 100 176.654   1.190  -6.215
  766    H    LEU 101           HN       LEU 101 171.900   2.162  -3.708
  767    HA   LEU 101           HA       LEU 101 172.792   4.561  -4.774
  768   1HB   LEU 101          HB2       LEU 101 170.687   5.476  -4.289
  769   2HB   LEU 101          HB1       LEU 101 170.414   3.780  -4.575
  770    HG   LEU 101           HG       LEU 101 170.505   3.647  -1.951
  771   1HD1  LEU 101          HD11      LEU 101 169.186   6.260  -1.984
  772   2HD1  LEU 101          HD12      LEU 101 170.939   6.309  -2.165
  773   3HD1  LEU 101          HD13      LEU 101 170.218   5.521  -0.759
  774   1HD2  LEU 101          HD21      LEU 101 168.222   3.486  -1.975
  775   2HD2  LEU 101          HD22      LEU 101 168.585   3.332  -3.694
  776   3HD2  LEU 101          HD23      LEU 101 168.030   4.875  -3.044
  777    H    HIS 102           HN       HIS 102 172.041   3.876  -1.421
  778    HA   HIS 102           HA       HIS 102 172.838   6.335  -0.345
  779   1HB   HIS 102          HB2       HIS 102 171.665   5.216   1.245
  780   2HB   HIS 102          HB1       HIS 102 172.232   3.642   0.704
  781    HD2  HIS 102           HD2      HIS 102 173.484   2.500   2.762
  782    HE1  HIS 102           HE1      HIS 102 175.488   5.943   4.184
  783    HE2  HIS 102           HE2      HIS 102 175.006   3.491   4.612
  784    H    LEU 103           HN       LEU 103 174.651   3.257  -0.129
  785    HA   LEU 103           HA       LEU 103 176.973   4.183   0.950
  786   1HB   LEU 103          HB2       LEU 103 176.254   1.924  -0.782
  787   2HB   LEU 103          HB1       LEU 103 177.951   2.357  -0.819
  788    HG   LEU 103           HG       LEU 103 177.017   2.260   1.907
  789   1HD1  LEU 103          HD11      LEU 103 176.048   0.159   0.128
  790   2HD1  LEU 103          HD12      LEU 103 175.547   0.584   1.763
  791   3HD1  LEU 103          HD13      LEU 103 176.960  -0.440   1.512
  792   1HD2  LEU 103          HD21      LEU 103 179.365   2.093   0.962
  793   2HD2  LEU 103          HD22      LEU 103 178.969   0.426   0.545
  794   3HD2  LEU 103          HD23      LEU 103 178.941   0.943   2.231
  795    H    LYS 104           HN       LYS 104 176.347   3.987  -2.567
  796    HA   LYS 104           HA       LYS 104 178.760   5.178  -3.350
  797   1HB   LYS 104          HB2       LYS 104 177.935   5.120  -5.488
  798   2HB   LYS 104          HB1       LYS 104 176.837   3.980  -4.727
  799   1HG   LYS 104          HG2       LYS 104 175.390   6.154  -4.351
  800   2HG   LYS 104          HG1       LYS 104 176.330   6.730  -5.727
  801   1HD   LYS 104          HD2       LYS 104 174.671   4.213  -5.634
  802   2HD   LYS 104          HD1       LYS 104 174.235   5.712  -6.456
  803   1HE   LYS 104          HE2       LYS 104 176.463   5.405  -7.718
  804   2HE   LYS 104          HE1       LYS 104 176.386   3.740  -7.144
  805   1HZ   LYS 104          HZ1       LYS 104 173.930   4.055  -8.133
  806   2HZ   LYS 104          HZ2       LYS 104 175.228   3.444  -9.028
  807   3HZ   LYS 104          HZ3       LYS 104 174.798   5.074  -9.168
  808    H    LYS 105           HN       LYS 105 175.677   6.560  -2.389
  809    HA   LYS 105           HA       LYS 105 176.201   9.220  -3.173
  810   1HB   LYS 105          HB2       LYS 105 174.186   7.786  -1.656
  811   2HB   LYS 105          HB1       LYS 105 174.539   9.346  -0.928
  812   1HG   LYS 105          HG2       LYS 105 173.595  10.495  -2.614
  813   2HG   LYS 105          HG1       LYS 105 174.174   9.370  -3.845
  814   1HD   LYS 105          HD2       LYS 105 172.404   7.782  -2.636
  815   2HD   LYS 105          HD1       LYS 105 171.664   9.342  -2.268
  816   1HE   LYS 105          HE2       LYS 105 172.444   8.399  -5.025
  817   2HE   LYS 105          HE1       LYS 105 170.812   8.335  -4.359
  818   1HZ   LYS 105          HZ1       LYS 105 171.675  10.353  -5.818
  819   2HZ   LYS 105          HZ2       LYS 105 172.161  10.920  -4.300
  820   3HZ   LYS 105          HZ3       LYS 105 170.534  10.554  -4.584
  821    H    LEU 106           HN       LEU 106 177.179   7.324  -0.435
  822    HA   LEU 106           HA       LEU 106 177.986   9.563   1.171
  823   1HB   LEU 106          HB2       LEU 106 177.291   7.138   1.885
  824   2HB   LEU 106          HB1       LEU 106 178.991   6.796   1.626
  825    HG   LEU 106           HG       LEU 106 179.087   9.049   3.196
  826   1HD1  LEU 106          HD11      LEU 106 177.009   7.325   4.485
  827   2HD1  LEU 106          HD12      LEU 106 176.550   8.668   3.439
  828   3HD1  LEU 106          HD13      LEU 106 177.506   8.969   4.890
  829   1HD2  LEU 106          HD21      LEU 106 180.343   7.710   4.464
  830   2HD2  LEU 106          HD22      LEU 106 179.980   6.447   3.287
  831   3HD2  LEU 106          HD23      LEU 106 179.011   6.591   4.754
  832    H    PHE 107           HN       PHE 107 179.835   6.885  -0.223
  833    HA   PHE 107           HA       PHE 107 182.349   8.035   0.119
  834   1HB   PHE 107          HB2       PHE 107 181.597   5.613  -0.678
  835   2HB   PHE 107          HB1       PHE 107 181.907   6.295  -2.272
  836    HD1  PHE 107           HD1      PHE 107 183.328   4.619   0.460
  837    HD2  PHE 107           HD2      PHE 107 184.207   7.543  -2.503
  838    HE1  PHE 107           HE1      PHE 107 185.732   4.188   0.754
  839    HE2  PHE 107           HE2      PHE 107 186.613   7.116  -2.216
  840    HZ   PHE 107           HZ       PHE 107 187.378   5.437  -0.586
  841    H    ARG 108           HN       ARG 108 179.894   8.665  -2.236
  842    HA   ARG 108           HA       ARG 108 181.695  10.020  -4.060
  843   1HB   ARG 108          HB2       ARG 108 179.692   8.797  -4.869
  844   2HB   ARG 108          HB1       ARG 108 178.674   9.963  -4.036
  845   1HG   ARG 108          HG2       ARG 108 179.601  11.752  -5.440
  846   2HG   ARG 108          HG1       ARG 108 180.571  10.554  -6.298
  847   1HD   ARG 108          HD2       ARG 108 178.773   9.685  -7.400
  848   2HD   ARG 108          HD1       ARG 108 177.649  10.077  -6.099
  849    HE   ARG 108           HE       ARG 108 177.256  12.103  -7.092
  850   1HH1  ARG 108          HH11      ARG 108 180.123  10.692  -8.495
  851   2HH1  ARG 108          HH12      ARG 108 180.249  11.885  -9.745
  852   1HH2  ARG 108          HH21      ARG 108 177.420  13.672  -8.734
  853   2HH2  ARG 108          HH22      ARG 108 178.716  13.577  -9.880
  854    H    GLU 109           HN       GLU 109 179.187  10.916  -1.719
  855    HA   GLU 109           HA       GLU 109 179.334  13.705  -2.205
  856   1HB   GLU 109          HB2       GLU 109 178.223  12.021   0.015
  857   2HB   GLU 109          HB1       GLU 109 178.289  13.770   0.178
  858   1HG   GLU 109          HG2       GLU 109 177.100  12.708  -2.310
  859   2HG   GLU 109          HG1       GLU 109 176.186  12.476  -0.820
  860    H    GLY 110           HN       GLY 110 181.353  11.543  -0.456
  861   1HA   GLY 110          HA2       GLY 110 182.440  13.511   1.336
  862   2HA   GLY 110          HA1       GLY 110 183.050  11.890   1.081
  863    H    ARG 111           HN       ARG 111 184.022  11.616  -1.192
  864    HA   ARG 111           HA       ARG 111 186.030  13.674  -1.496
  865   1HB   ARG 111          HB2       ARG 111 185.763  10.899  -2.655
  866   2HB   ARG 111          HB1       ARG 111 187.125  11.962  -2.914
  867   1HG   ARG 111          HG2       ARG 111 186.340  11.334  -0.126
  868   2HG   ARG 111          HG1       ARG 111 187.185  10.107  -1.070
  869   1HD   ARG 111          HD2       ARG 111 188.849  11.320   0.096
  870   2HD   ARG 111          HD1       ARG 111 188.921  11.860  -1.580
  871    HE   ARG 111           HE       ARG 111 187.244  13.497   0.080
  872   1HH1  ARG 111          HH11      ARG 111 190.518  12.933  -0.990
  873   2HH1  ARG 111          HH12      ARG 111 191.032  14.557  -0.679
  874   1HH2  ARG 111          HH21      ARG 111 187.919  15.633   0.489
  875   2HH2  ARG 111          HH22      ARG 111 189.557  16.090   0.161
  876    H    PHE 112           HN       PHE 112 183.592  14.517  -2.343
  877    HA   PHE 112           HA       PHE 112 183.334  14.197  -5.197
  878   1HB   PHE 112          HB2       PHE 112 181.285  15.155  -4.924
  879   2HB   PHE 112          HB1       PHE 112 181.554  14.647  -3.264
  880    HD1  PHE 112           HD1      PHE 112 181.824  16.195  -1.521
  881    HD2  PHE 112           HD2      PHE 112 181.649  17.497  -5.558
  882    HE1  PHE 112           HE1      PHE 112 181.566  18.525  -0.748
  883    HE2  PHE 112           HE2      PHE 112 181.389  19.833  -4.806
  884    HZ   PHE 112           HZ       PHE 112 181.348  20.347  -2.395
  885    H    ASN 113           HN       ASN 113 184.520  16.525  -2.894
  886    HA   ASN 113           HA       ASN 113 185.091  18.502  -4.948
  887   1HB   ASN 113          HB2       ASN 113 185.908  19.886  -3.087
  888   2HB   ASN 113          HB1       ASN 113 184.292  19.266  -2.763
  889   1HD2  ASN 113          HD21      ASN 113 183.979  17.820  -1.117
  890   2HD2  ASN 113          HD22      ASN 113 185.198  17.431   0.043
  Start of MODEL    4
    1   1H    GLY   1          HT1       GLY   1 163.890 -11.211   8.755
    2   2H    GLY   1          HT2       GLY   1 163.948 -10.136   7.451
    3   3H    GLY   1          HT3       GLY   1 164.630  -9.700   8.936
    4   1HA   GLY   1          HA1       GLY   1 166.306 -10.347   7.265
    5   2HA   GLY   1          HA2       GLY   1 166.351 -11.311   8.733
    6    H    GLY   2           HN       GLY   2 166.228 -11.394   5.382
    7   1HA   GLY   2          HA2       GLY   2 166.522 -14.130   5.138
    8   2HA   GLY   2          HA1       GLY   2 164.796 -13.829   4.999
    9    HA   PRO   3           HA       PRO   3 167.348 -13.286   0.906
   10   1HB   PRO   3          HB2       PRO   3 165.485 -15.493   0.168
   11   2HB   PRO   3          HB1       PRO   3 167.166 -15.232  -0.310
   12   1HG   PRO   3          HG2       PRO   3 166.545 -17.073   1.509
   13   2HG   PRO   3          HG1       PRO   3 168.002 -16.077   1.683
   14   1HD   PRO   3          HD2       PRO   3 165.391 -15.887   3.116
   15   2HD   PRO   3          HD1       PRO   3 167.035 -15.586   3.716
   16    H    VAL   4           HN       VAL   4 166.076 -13.189  -1.334
   17    HA   VAL   4           HA       VAL   4 164.643 -11.901  -2.553
   18    HB   VAL   4           HB       VAL   4 162.636 -13.080  -0.631
   19   1HG1  VAL   4          1HG1      VAL   4 162.278 -11.860  -3.367
   20   2HG1  VAL   4          2HG1      VAL   4 161.657 -11.236  -1.839
   21   3HG1  VAL   4          3HG1      VAL   4 161.032 -12.750  -2.492
   22   1HG2  VAL   4          1HG2      VAL   4 163.236 -14.129  -3.368
   23   2HG2  VAL   4          2HG2      VAL   4 162.480 -14.946  -2.000
   24   3HG2  VAL   4          3HG2      VAL   4 164.213 -14.618  -1.984
   25    HA   PRO   5           HA       PRO   5 164.597  -8.381   0.422
   26   1HB   PRO   5          HB2       PRO   5 165.537  -6.556  -1.352
   27   2HB   PRO   5          HB1       PRO   5 166.596  -7.627  -0.427
   28   1HG   PRO   5          HG2       PRO   5 165.639  -7.886  -3.252
   29   2HG   PRO   5          HG1       PRO   5 167.261  -8.163  -2.591
   30   1HD   PRO   5          HD2       PRO   5 165.545 -10.186  -3.134
   31   2HD   PRO   5          HD1       PRO   5 166.721 -10.262  -1.807
   32    HA   PRO   6           HA       PRO   6 160.737  -6.689  -0.908
   33   1HB   PRO   6          HB2       PRO   6 160.805  -4.239   0.261
   34   2HB   PRO   6          HB1       PRO   6 160.557  -5.732   1.174
   35   1HG   PRO   6          HG2       PRO   6 163.061  -4.136   0.798
   36   2HG   PRO   6          HG1       PRO   6 162.425  -4.888   2.272
   37   1HD   PRO   6          HD2       PRO   6 164.400  -6.012   0.803
   38   2HD   PRO   6          HD1       PRO   6 163.207  -6.979   1.694
   39    H    SER   7           HN       SER   7 159.848  -5.402  -2.490
   40    HA   SER   7           HA       SER   7 161.709  -4.179  -4.330
   41   1HB   SER   7          HB2       SER   7 158.698  -4.224  -4.567
   42   2HB   SER   7          HB1       SER   7 159.885  -4.063  -5.861
   43    HG   SER   7           HG       SER   7 159.922  -6.148  -5.977
   44    H    THR   8           HN       THR   8 159.195  -3.149  -2.101
   45    HA   THR   8           HA       THR   8 158.947  -0.485  -2.924
   46    HB   THR   8           HB       THR   8 158.669  -1.618  -0.133
   47    HG1  THR   8           1HG      THR   8 157.175  -2.668  -1.246
   48   1HG2  THR   8          1HG2      THR   8 157.892   0.326   0.587
   49   2HG2  THR   8          2HG2      THR   8 156.875   0.530  -0.838
   50   3HG2  THR   8          3HG2      THR   8 158.563   1.040  -0.879
   51    H    ALA   9           HN       ALA   9 161.343  -2.077  -0.938
   52    HA   ALA   9           HA       ALA   9 162.509   0.282   0.140
   53   1HB   ALA   9          HB1       ALA   9 163.624  -2.498  -0.201
   54   2HB   ALA   9          HB2       ALA   9 162.862  -1.825   1.240
   55   3HB   ALA   9          HB3       ALA   9 164.419  -1.204   0.695
   56    H    LEU  10           HN       LEU  10 162.907  -1.492  -2.836
   57    HA   LEU  10           HA       LEU  10 165.380  -0.301  -3.602
   58   1HB   LEU  10          HB2       LEU  10 164.849  -2.368  -4.616
   59   2HB   LEU  10          HB1       LEU  10 163.247  -1.827  -5.073
   60    HG   LEU  10           HG       LEU  10 165.041  -2.077  -6.907
   61   1HD1  LEU  10          HD11      LEU  10 162.752  -0.721  -6.812
   62   2HD1  LEU  10          HD12      LEU  10 163.815  -0.697  -8.219
   63   3HD1  LEU  10          HD13      LEU  10 163.858   0.630  -7.059
   64   1HD2  LEU  10          HD21      LEU  10 166.568  -0.539  -5.356
   65   2HD2  LEU  10          HD22      LEU  10 165.801   0.721  -6.320
   66   3HD2  LEU  10          HD23      LEU  10 166.715  -0.562  -7.113
   67    H    ARG  11           HN       ARG  11 162.012   0.268  -4.627
   68    HA   ARG  11           HA       ARG  11 162.488   2.384  -6.355
   69   1HB   ARG  11          HB2       ARG  11 160.208   2.751  -6.343
   70   2HB   ARG  11          HB1       ARG  11 160.283   1.099  -5.750
   71   1HG   ARG  11          HG2       ARG  11 160.262   2.177  -3.407
   72   2HG   ARG  11          HG1       ARG  11 159.682   3.615  -4.249
   73   1HD   ARG  11          HD2       ARG  11 157.848   2.263  -5.210
   74   2HD   ARG  11          HD1       ARG  11 158.405   0.882  -4.265
   75    HE   ARG  11           HE       ARG  11 157.360   1.774  -2.446
   76   1HH1  ARG  11          HH11      ARG  11 157.837   4.313  -4.792
   77   2HH1  ARG  11          HH12      ARG  11 156.941   5.487  -3.888
   78   1HH2  ARG  11          HH21      ARG  11 156.181   3.317  -1.256
   79   2HH2  ARG  11          HH22      ARG  11 156.001   4.922  -1.881
   80    H    GLU  12           HN       GLU  12 162.614   2.271  -2.907
   81    HA   GLU  12           HA       GLU  12 162.268   5.012  -2.346
   82   1HB   GLU  12          HB2       GLU  12 163.233   2.629  -0.907
   83   2HB   GLU  12          HB1       GLU  12 163.889   4.156  -0.332
   84   1HG   GLU  12          HG2       GLU  12 161.432   4.938  -0.309
   85   2HG   GLU  12          HG1       GLU  12 161.053   3.218  -0.372
   86    H    LEU  13           HN       LEU  13 165.286   3.076  -2.623
   87    HA   LEU  13           HA       LEU  13 166.960   5.352  -2.416
   88   1HB   LEU  13          HB2       LEU  13 167.262   2.489  -2.870
   89   2HB   LEU  13          HB1       LEU  13 168.452   3.446  -3.735
   90    HG   LEU  13           HG       LEU  13 168.138   4.320  -0.982
   91   1HD1  LEU  13          HD11      LEU  13 167.629   1.867  -0.784
   92   2HD1  LEU  13          HD12      LEU  13 169.009   2.442   0.151
   93   3HD1  LEU  13          HD13      LEU  13 169.269   1.563  -1.356
   94   1HD2  LEU  13          HD21      LEU  13 170.682   3.736  -1.137
   95   2HD2  LEU  13          HD22      LEU  13 170.030   5.118  -2.018
   96   3HD2  LEU  13          HD23      LEU  13 170.339   3.601  -2.862
   97    H    ILE  14           HN       ILE  14 165.335   3.804  -5.074
   98    HA   ILE  14           HA       ILE  14 166.905   4.909  -7.157
   99    HB   ILE  14           HB       ILE  14 164.447   3.351  -6.961
  100   1HG1  ILE  14          2HG1      ILE  14 165.358   2.233  -8.877
  101   2HG1  ILE  14          1HG1      ILE  14 166.416   3.592  -9.240
  102   1HG2  ILE  14          1HG2      ILE  14 164.636   5.465  -9.098
  103   2HG2  ILE  14          2HG2      ILE  14 163.306   5.158  -7.981
  104   3HG2  ILE  14          3HG2      ILE  14 163.658   4.006  -9.269
  105   1HD1  ILE  14          HD11      ILE  14 168.002   2.840  -7.879
  106   2HD1  ILE  14          HD12      ILE  14 167.100   1.324  -7.856
  107   3HD1  ILE  14          HD13      ILE  14 166.854   2.516  -6.580
  108    H    GLU  15           HN       GLU  15 163.700   5.870  -5.896
  109    HA   GLU  15           HA       GLU  15 163.543   8.209  -7.485
  110   1HB   GLU  15          HB2       GLU  15 162.090   7.671  -4.895
  111   2HB   GLU  15          HB1       GLU  15 161.606   8.780  -6.170
  112   1HG   GLU  15          HG2       GLU  15 161.919   5.864  -6.737
  113   2HG   GLU  15          HG1       GLU  15 160.451   6.483  -5.981
  114    H    GLU  16           HN       GLU  16 164.740   7.617  -4.227
  115    HA   GLU  16           HA       GLU  16 164.958  10.315  -3.430
  116   1HB   GLU  16          HB2       GLU  16 165.060   8.121  -2.064
  117   2HB   GLU  16          HB1       GLU  16 166.763   8.126  -2.471
  118   1HG   GLU  16          HG2       GLU  16 166.364  10.677  -1.559
  119   2HG   GLU  16          HG1       GLU  16 165.296   9.723  -0.531
  120    H    LEU  17           HN       LEU  17 167.326   8.046  -4.764
  121    HA   LEU  17           HA       LEU  17 169.445   9.941  -4.812
  122   1HB   LEU  17          HB2       LEU  17 169.118   7.285  -6.202
  123   2HB   LEU  17          HB1       LEU  17 170.599   8.219  -6.178
  124    HG   LEU  17           HG       LEU  17 169.239   6.958  -3.803
  125   1HD1  LEU  17          HD11      LEU  17 170.775   5.717  -5.599
  126   2HD1  LEU  17          HD12      LEU  17 170.804   5.325  -3.880
  127   3HD1  LEU  17          HD13      LEU  17 172.035   6.385  -4.563
  128   1HD2  LEU  17          HD21      LEU  17 171.362   7.740  -2.634
  129   2HD2  LEU  17          HD22      LEU  17 170.136   8.962  -2.973
  130   3HD2  LEU  17          HD23      LEU  17 171.569   8.843  -3.995
  131    H    VAL  18           HN       VAL  18 166.923   8.983  -6.999
  132    HA   VAL  18           HA       VAL  18 168.085  10.145  -9.304
  133    HB   VAL  18           HB       VAL  18 165.975   8.484  -8.939
  134   1HG1  VAL  18          1HG1      VAL  18 163.915   9.452  -9.414
  135   2HG1  VAL  18          2HG1      VAL  18 164.646  10.977  -9.919
  136   3HG1  VAL  18          3HG1      VAL  18 164.628  10.529  -8.213
  137   1HG2  VAL  18          1HG2      VAL  18 165.473   8.979 -11.395
  138   2HG2  VAL  18          2HG2      VAL  18 167.109   8.474 -10.975
  139   3HG2  VAL  18          3HG2      VAL  18 166.762  10.176 -11.277
  140    H    ASN  19           HN       ASN  19 166.028  11.229  -6.731
  141    HA   ASN  19           HA       ASN  19 165.294  13.729  -7.862
  142   1HB   ASN  19          HB2       ASN  19 164.052  12.645  -6.007
  143   2HB   ASN  19          HB1       ASN  19 165.425  12.938  -4.944
  144   1HD2  ASN  19          HD21      ASN  19 164.762  14.424  -3.557
  145   2HD2  ASN  19          HD22      ASN  19 164.037  15.936  -3.971
  146    H    ILE  20           HN       ILE  20 167.785  12.811  -5.452
  147    HA   ILE  20           HA       ILE  20 168.822  15.385  -5.111
  148    HB   ILE  20           HB       ILE  20 170.707  14.326  -4.090
  149   1HG1  ILE  20          2HG1      ILE  20 169.730  11.815  -5.435
  150   2HG1  ILE  20          1HG1      ILE  20 171.281  12.618  -5.675
  151   1HG2  ILE  20          1HG2      ILE  20 168.715  12.378  -3.212
  152   2HG2  ILE  20          2HG2      ILE  20 168.143  14.046  -3.260
  153   3HG2  ILE  20          3HG2      ILE  20 169.561  13.628  -2.299
  154   1HD1  ILE  20          HD11      ILE  20 171.649  12.118  -3.167
  155   2HD1  ILE  20          HD12      ILE  20 171.818  10.812  -4.340
  156   3HD1  ILE  20          HD13      ILE  20 170.346  10.949  -3.378
  157    H    THR  21           HN       THR  21 169.589  12.836  -7.428
  158    HA   THR  21           HA       THR  21 171.845  14.249  -8.521
  159    HB   THR  21           HB       THR  21 171.651  11.758  -8.518
  160    HG1  THR  21           1HG      THR  21 172.659  11.573 -10.443
  161   1HG2  THR  21          1HG2      THR  21 169.217  11.742  -9.219
  162   2HG2  THR  21          2HG2      THR  21 170.286  10.582 -10.007
  163   3HG2  THR  21          3HG2      THR  21 169.799  12.050 -10.854
  164    H    GLN  22           HN       GLN  22 168.436  14.186  -9.073
  165    HA   GLN  22           HA       GLN  22 168.623  15.328 -11.731
  166   1HB   GLN  22          HB2       GLN  22 166.368  14.519  -9.927
  167   2HB   GLN  22          HB1       GLN  22 166.056  15.552 -11.315
  168   1HG   GLN  22          HG2       GLN  22 167.650  13.154 -11.883
  169   2HG   GLN  22          HG1       GLN  22 165.991  12.854 -11.367
  170   1HE2  GLN  22          1HE2      GLN  22 164.408  13.071 -12.808
  171   2HE2  GLN  22          2HE2      GLN  22 164.585  13.729 -14.395
  172    H    ASN  23           HN       ASN  23 170.004  16.994 -10.183
  173    HA   ASN  23           HA       ASN  23 168.191  19.197  -9.495
  174   1HB   ASN  23          HB2       ASN  23 170.853  18.318  -8.507
  175   2HB   ASN  23          HB1       ASN  23 170.524  20.045  -8.514
  176   1HD2  ASN  23          HD21      ASN  23 169.223  16.951  -7.487
  177   2HD2  ASN  23          HD22      ASN  23 168.443  17.539  -6.066
  178    H    GLN  24           HN       GLN  24 168.612  21.303 -10.244
  179    HA   GLN  24           HA       GLN  24 169.311  21.552 -12.915
  180   1HB   GLN  24          HB2       GLN  24 168.871  23.443 -10.671
  181   2HB   GLN  24          HB1       GLN  24 169.705  24.075 -12.084
  182   1HG   GLN  24          HG2       GLN  24 167.613  22.764 -13.225
  183   2HG   GLN  24          HG1       GLN  24 166.899  23.342 -11.721
  184   1HE2  GLN  24          1HE2      GLN  24 165.565  24.774 -12.841
  185   2HE2  GLN  24          2HE2      GLN  24 166.173  26.232 -13.540
  186    H    LYS  25           HN       LYS  25 171.036  23.467 -13.448
  187    HA   LYS  25           HA       LYS  25 173.541  22.247 -13.371
  188   1HB   LYS  25          HB2       LYS  25 172.891  25.170 -13.794
  189   2HB   LYS  25          HB1       LYS  25 174.419  24.400 -14.196
  190   1HG   LYS  25          HG2       LYS  25 173.596  23.418 -16.058
  191   2HG   LYS  25          HG1       LYS  25 171.988  23.197 -15.364
  192   1HD   LYS  25          HD2       LYS  25 172.800  25.992 -15.813
  193   2HD   LYS  25          HD1       LYS  25 172.587  25.022 -17.272
  194   1HE   LYS  25          HE2       LYS  25 170.339  24.564 -16.769
  195   2HE   LYS  25          HE1       LYS  25 170.523  25.077 -15.093
  196   1HZ   LYS  25          HZ1       LYS  25 170.327  26.741 -17.521
  197   2HZ   LYS  25          HZ2       LYS  25 171.039  27.354 -16.114
  198   3HZ   LYS  25          HZ3       LYS  25 169.429  26.839 -16.090
  199    H    ALA  26           HN       ALA  26 172.026  24.476 -11.154
  200    HA   ALA  26           HA       ALA  26 174.252  25.413  -9.765
  201   1HB   ALA  26          HB1       ALA  26 171.844  24.816  -8.162
  202   2HB   ALA  26          HB2       ALA  26 171.614  25.857  -9.567
  203   3HB   ALA  26          HB3       ALA  26 172.768  26.310  -8.314
  204    HA   PRO  27           HA       PRO  27 175.704  21.840  -7.596
  205   1HB   PRO  27          HB2       PRO  27 177.257  22.932  -5.780
  206   2HB   PRO  27          HB1       PRO  27 177.616  23.168  -7.502
  207   1HG   PRO  27          HG2       PRO  27 176.015  24.908  -5.690
  208   2HG   PRO  27          HG1       PRO  27 177.457  25.383  -6.612
  209   1HD   PRO  27          HD2       PRO  27 175.004  25.868  -7.558
  210   2HD   PRO  27          HD1       PRO  27 176.282  25.286  -8.651
  211    H    LEU  28           HN       LEU  28 175.974  21.031  -5.265
  212    HA   LEU  28           HA       LEU  28 173.504  21.673  -3.803
  213   1HB   LEU  28          HB2       LEU  28 173.971  19.313  -4.705
  214   2HB   LEU  28          HB1       LEU  28 175.165  19.196  -3.427
  215    HG   LEU  28           HG       LEU  28 173.455  19.463  -1.734
  216   1HD1  LEU  28          HD11      LEU  28 171.051  19.498  -2.436
  217   2HD1  LEU  28          HD12      LEU  28 171.602  19.850  -4.074
  218   3HD1  LEU  28          HD13      LEU  28 171.944  20.982  -2.766
  219   1HD2  LEU  28          HD21      LEU  28 172.740  17.323  -1.831
  220   2HD2  LEU  28          HD22      LEU  28 173.854  17.248  -3.197
  221   3HD2  LEU  28          HD23      LEU  28 172.129  17.485  -3.477
  222    H    CYS  29           HN       CYS  29 173.627  22.570  -1.848
  223    HA   CYS  29           HA       CYS  29 174.446  23.379   0.113
  224   1HB   CYS  29          HB2       CYS  29 176.726  21.421  -0.105
  225   2HB   CYS  29          HB1       CYS  29 175.994  22.084   1.351
  226    H    ASN  30           HN       ASN  30 175.084  24.792  -2.127
  227    HA   ASN  30           HA       ASN  30 176.343  26.619  -2.634
  228   1HB   ASN  30          HB2       ASN  30 177.661  27.534  -1.052
  229   2HB   ASN  30          HB1       ASN  30 177.121  26.195  -0.049
  230   1HD2  ASN  30          HD21      ASN  30 179.644  27.130  -2.343
  231   2HD2  ASN  30          HD22      ASN  30 180.905  26.212  -1.601
  232    H    GLY  31           HN       GLY  31 178.348  23.772  -2.009
  233   1HA   GLY  31          HA2       GLY  31 179.062  22.689  -4.197
  234   2HA   GLY  31          HA1       GLY  31 179.708  24.278  -4.576
  235    H    SER  32           HN       SER  32 179.832  21.985  -1.845
  236    HA   SER  32           HA       SER  32 182.692  22.598  -1.571
  237   1HB   SER  32          HB2       SER  32 180.781  21.298   0.383
  238   2HB   SER  32          HB1       SER  32 182.487  21.622   0.691
  239    HG   SER  32           HG       SER  32 181.587  23.394   1.485
  240    H    MET  33           HN       MET  33 183.932  21.217  -2.672
  241    HA   MET  33           HA       MET  33 183.205  18.697  -3.574
  242   1HB   MET  33          HB2       MET  33 186.028  19.555  -2.962
  243   2HB   MET  33          HB1       MET  33 185.486  18.418  -4.180
  244   1HG   MET  33          HG2       MET  33 184.291  20.332  -5.285
  245   2HG   MET  33          HG1       MET  33 185.150  21.392  -4.170
  246   1HE   MET  33          HE1       MET  33 186.334  19.819  -8.073
  247   2HE   MET  33          HE2       MET  33 184.936  19.373  -7.095
  248   3HE   MET  33          HE3       MET  33 186.414  18.415  -7.008
  249    H    VAL  34           HN       VAL  34 184.214  16.617  -2.985
  250    HA   VAL  34           HA       VAL  34 185.091  16.306  -0.239
  251    HB   VAL  34           HB       VAL  34 183.352  14.500   0.162
  252   1HG1  VAL  34          1HG1      VAL  34 181.847  17.031  -0.003
  253   2HG1  VAL  34          2HG1      VAL  34 183.383  17.096   0.860
  254   3HG1  VAL  34          3HG1      VAL  34 182.131  15.964   1.372
  255   1HG2  VAL  34          1HG2      VAL  34 181.543  14.224  -1.187
  256   2HG2  VAL  34          2HG2      VAL  34 182.696  14.766  -2.406
  257   3HG2  VAL  34          3HG2      VAL  34 181.541  15.907  -1.716
  258    H    TRP  35           HN       TRP  35 185.734  14.017   0.203
  259    HA   TRP  35           HA       TRP  35 187.295  13.027  -1.910
  260   1HB   TRP  35          HB2       TRP  35 186.438  11.644   0.631
  261   2HB   TRP  35          HB1       TRP  35 187.649  11.044  -0.491
  262    HD1  TRP  35           HD1      TRP  35 187.684  12.445   2.686
  263    HE1  TRP  35           HE1      TRP  35 189.756  13.875   3.132
  264    HE3  TRP  35           HE3      TRP  35 189.220  13.202  -2.130
  265    HZ2  TRP  35           HZ2      TRP  35 191.785  15.177   1.661
  266    HZ3  TRP  35           HZ3      TRP  35 191.238  14.553  -2.524
  267    HH2  TRP  35           HH2      TRP  35 192.493  15.520  -0.667
  268    H    SER  36           HN       SER  36 186.544  12.215  -3.666
  269    HA   SER  36           HA       SER  36 184.116  11.328  -4.401
  270   1HB   SER  36          HB2       SER  36 186.452  11.443  -5.681
  271   2HB   SER  36          HB1       SER  36 186.378   9.697  -5.441
  272    HG   SER  36           HG       SER  36 184.569   9.592  -6.650
  273    H    ILE  37           HN       ILE  37 183.011   9.348  -4.586
  274    HA   ILE  37           HA       ILE  37 183.096   7.692  -2.357
  275    HB   ILE  37           HB       ILE  37 181.788   7.068  -5.001
  276   1HG1  ILE  37          2HG1      ILE  37 181.222   9.383  -4.296
  277   2HG1  ILE  37          1HG1      ILE  37 179.835   8.305  -4.204
  278   1HG2  ILE  37          1HG2      ILE  37 180.099   6.153  -3.291
  279   2HG2  ILE  37          2HG2      ILE  37 181.467   6.221  -2.183
  280   3HG2  ILE  37          3HG2      ILE  37 181.566   5.246  -3.646
  281   1HD1  ILE  37          HD11      ILE  37 181.544   9.169  -1.884
  282   2HD1  ILE  37          HD12      ILE  37 180.141   8.103  -1.798
  283   3HD1  ILE  37          HD13      ILE  37 179.941   9.788  -2.283
  284    H    ASN  38           HN       ASN  38 183.371   5.373  -2.354
  285    HA   ASN  38           HA       ASN  38 185.421   4.433  -4.240
  286   1HB   ASN  38          HB2       ASN  38 185.845   2.891  -2.040
  287   2HB   ASN  38          HB1       ASN  38 186.734   4.364  -2.397
  288   1HD2  ASN  38          HD21      ASN  38 185.060   2.755  -0.080
  289   2HD2  ASN  38          HD22      ASN  38 184.635   4.080   0.943
  290    H    LEU  39           HN       LEU  39 183.279   3.866  -5.303
  291    HA   LEU  39           HA       LEU  39 181.473   1.998  -4.441
  292   1HB   LEU  39          HB2       LEU  39 182.457   1.857  -7.256
  293   2HB   LEU  39          HB1       LEU  39 180.818   1.749  -6.646
  294    HG   LEU  39           HG       LEU  39 182.487   4.248  -6.910
  295   1HD1  LEU  39          HD11      LEU  39 181.660   3.998  -8.991
  296   2HD1  LEU  39          HD12      LEU  39 180.257   4.764  -8.246
  297   3HD1  LEU  39          HD13      LEU  39 180.299   3.013  -8.458
  298   1HD2  LEU  39          HD21      LEU  39 180.660   3.803  -4.925
  299   2HD2  LEU  39          HD22      LEU  39 179.674   4.543  -6.184
  300   3HD2  LEU  39          HD23      LEU  39 181.098   5.380  -5.576
  301    H    THR  40           HN       THR  40 184.779   1.425  -4.916
  302    HA   THR  40           HA       THR  40 185.115  -1.045  -5.937
  303    HB   THR  40           HB       THR  40 186.927   0.324  -4.980
  304    HG1  THR  40           1HG      THR  40 186.828  -2.292  -3.892
  305   1HG2  THR  40          1HG2      THR  40 186.076  -0.747  -2.303
  306   2HG2  THR  40          2HG2      THR  40 185.841   0.915  -2.843
  307   3HG2  THR  40          3HG2      THR  40 187.472   0.272  -2.650
  308    H    ALA  41           HN       ALA  41 184.026  -0.408  -2.602
  309    HA   ALA  41           HA       ALA  41 182.510  -2.848  -2.589
  310   1HB   ALA  41          HB1       ALA  41 185.129  -2.700  -1.209
  311   2HB   ALA  41          HB2       ALA  41 184.308  -4.077  -1.944
  312   3HB   ALA  41          HB3       ALA  41 183.804  -3.495  -0.358
  313    H    GLY  42           HN       GLY  42 183.909  -1.503   0.346
  314   1HA   GLY  42          HA2       GLY  42 181.256  -0.826   1.289
  315   2HA   GLY  42          HA1       GLY  42 182.747  -0.725   2.206
  316    H    MET  43           HN       MET  43 181.129   0.798  -0.533
  317    HA   MET  43           HA       MET  43 182.538   3.279  -0.100
  318   1HB   MET  43          HB2       MET  43 181.555   4.031  -2.113
  319   2HB   MET  43          HB1       MET  43 181.938   2.339  -2.365
  320   1HG   MET  43          HG2       MET  43 179.859   2.467  -3.282
  321   2HG   MET  43          HG1       MET  43 179.481   1.941  -1.643
  322   1HE   MET  43          HE1       MET  43 178.373   5.465  -3.992
  323   2HE   MET  43          HE2       MET  43 177.159   4.208  -3.756
  324   3HE   MET  43          HE3       MET  43 178.757   3.786  -4.371
  325    H    TYR  44           HN       TYR  44 179.546   1.898   0.895
  326    HA   TYR  44           HA       TYR  44 177.886   4.087   1.167
  327   1HB   TYR  44          HB2       TYR  44 178.224   1.653   2.918
  328   2HB   TYR  44          HB1       TYR  44 176.960   2.847   3.193
  329    HD1  TYR  44           HD1      TYR  44 175.038   2.972   1.753
  330    HD2  TYR  44           HD2      TYR  44 178.187   0.240   0.905
  331    HE1  TYR  44           HE1      TYR  44 173.596   1.826   0.125
  332    HE2  TYR  44           HE2      TYR  44 176.754  -0.914  -0.726
  333    HH   TYR  44           HH       TYR  44 174.234   0.262  -2.117
  334    H    CYS  45           HN       CYS  45 180.112   2.820   3.644
  335    HA   CYS  45           HA       CYS  45 179.764   4.884   5.491
  336   1HB   CYS  45          HB2       CYS  45 181.038   2.577   5.627
  337   2HB   CYS  45          HB1       CYS  45 182.432   3.568   5.211
  338    H    ALA  46           HN       ALA  46 181.620   4.732   2.564
  339    HA   ALA  46           HA       ALA  46 183.394   6.878   3.100
  340   1HB   ALA  46          HB1       ALA  46 182.983   6.812   0.337
  341   2HB   ALA  46          HB2       ALA  46 182.776   5.147   0.881
  342   3HB   ALA  46          HB3       ALA  46 184.266   6.015   1.247
  343    H    ALA  47           HN       ALA  47 180.421   6.729   1.139
  344    HA   ALA  47           HA       ALA  47 180.258   9.509   0.688
  345   1HB   ALA  47          HB1       ALA  47 177.732   7.990   0.725
  346   2HB   ALA  47          HB2       ALA  47 178.988   7.371  -0.345
  347   3HB   ALA  47          HB3       ALA  47 178.416   9.029  -0.524
  348    H    LEU  48           HN       LEU  48 179.406   7.536   3.396
  349    HA   LEU  48           HA       LEU  48 177.520   9.347   4.549
  350   1HB   LEU  48          HB2       LEU  48 177.345   7.037   5.104
  351   2HB   LEU  48          HB1       LEU  48 179.029   6.954   5.575
  352    HG   LEU  48           HG       LEU  48 178.521   8.475   7.484
  353   1HD1  LEU  48          HD11      LEU  48 176.621   9.644   7.250
  354   2HD1  LEU  48          HD12      LEU  48 175.858   8.210   7.938
  355   3HD1  LEU  48          HD13      LEU  48 175.889   8.440   6.190
  356   1HD2  LEU  48          HD21      LEU  48 178.552   6.485   8.482
  357   2HD2  LEU  48          HD22      LEU  48 177.716   5.711   7.137
  358   3HD2  LEU  48          HD23      LEU  48 176.791   6.519   8.402
  359    H    GLU  49           HN       GLU  49 180.940   8.607   4.940
  360    HA   GLU  49           HA       GLU  49 181.328  10.351   7.124
  361   1HB   GLU  49          HB2       GLU  49 183.717  10.006   6.766
  362   2HB   GLU  49          HB1       GLU  49 182.845   8.482   6.689
  363   1HG   GLU  49          HG2       GLU  49 183.152   8.268   4.413
  364   2HG   GLU  49          HG1       GLU  49 183.450   9.990   4.186
  365    H    SER  50           HN       SER  50 181.561  10.728   3.645
  366    HA   SER  50           HA       SER  50 182.752  13.343   3.806
  367   1HB   SER  50          HB2       SER  50 181.407  12.631   1.291
  368   2HB   SER  50          HB1       SER  50 183.072  13.130   1.580
  369    HG   SER  50           HG       SER  50 183.580  11.032   2.149
  370    H    LEU  51           HN       LEU  51 179.518  12.021   3.438
  371    HA   LEU  51           HA       LEU  51 178.279  14.510   2.796
  372   1HB   LEU  51          HB2       LEU  51 177.291  11.799   3.605
  373   2HB   LEU  51          HB1       LEU  51 176.188  13.154   3.505
  374    HG   LEU  51           HG       LEU  51 177.920  12.331   1.188
  375   1HD1  LEU  51          HD11      LEU  51 175.494  11.437   0.480
  376   2HD1  LEU  51          HD12      LEU  51 175.432  11.122   2.215
  377   3HD1  LEU  51          HD13      LEU  51 176.720  10.419   1.236
  378   1HD2  LEU  51          HD21      LEU  51 175.697  13.423   0.148
  379   2HD2  LEU  51          HD22      LEU  51 177.140  14.352   0.553
  380   3HD2  LEU  51          HD23      LEU  51 175.780  14.302   1.674
  381    H    ILE  52           HN       ILE  52 178.804  12.675   5.761
  382    HA   ILE  52           HA       ILE  52 177.122  14.143   7.452
  383    HB   ILE  52           HB       ILE  52 178.236  11.951   7.982
  384   1HG1  ILE  52          2HG1      ILE  52 177.049  13.432   9.646
  385   2HG1  ILE  52          1HG1      ILE  52 178.225  12.320  10.335
  386   1HG2  ILE  52          1HG2      ILE  52 180.432  11.725   8.255
  387   2HG2  ILE  52          2HG2      ILE  52 180.552  13.181   9.240
  388   3HG2  ILE  52          3HG2      ILE  52 180.573  13.302   7.482
  389   1HD1  ILE  52          HD11      ILE  52 179.060  14.063  11.414
  390   2HD1  ILE  52          HD12      ILE  52 178.109  15.198  10.456
  391   3HD1  ILE  52          HD13      ILE  52 179.671  14.635   9.861
  392    H    ASN  53           HN       ASN  53 180.339  14.806   6.260
  393    HA   ASN  53           HA       ASN  53 180.951  16.870   8.126
  394   1HB   ASN  53          HB2       ASN  53 182.150  15.790   5.645
  395   2HB   ASN  53          HB1       ASN  53 182.538  17.466   6.020
  396   1HD2  ASN  53          HD21      ASN  53 181.937  14.809   8.256
  397   2HD2  ASN  53          HD22      ASN  53 183.511  14.815   8.969
  398    H    VAL  54           HN       VAL  54 178.880  16.729   5.430
  399    HA   VAL  54           HA       VAL  54 179.080  19.331   4.405
  400    HB   VAL  54           HB       VAL  54 176.573  17.652   4.573
  401   1HG1  VAL  54          1HG1      VAL  54 175.876  19.747   3.870
  402   2HG1  VAL  54          2HG1      VAL  54 176.183  18.916   2.344
  403   3HG1  VAL  54          3HG1      VAL  54 177.367  20.058   2.980
  404   1HG2  VAL  54          1HG2      VAL  54 178.891  16.833   3.435
  405   2HG2  VAL  54          2HG2      VAL  54 178.136  17.676   2.082
  406   3HG2  VAL  54          3HG2      VAL  54 177.288  16.351   2.880
  407    H    SER  55           HN       SER  55 178.061  21.242   4.893
  408    HA   SER  55           HA       SER  55 176.328  21.335   7.250
  409   1HB   SER  55          HB2       SER  55 178.346  23.501   7.079
  410   2HB   SER  55          HB1       SER  55 177.662  22.703   8.496
  411    HG   SER  55           HG       SER  55 179.606  21.838   8.499
  412    H    GLY  56           HN       GLY  56 174.554  22.446   6.782
  413   1HA   GLY  56          HA2       GLY  56 173.523  24.532   6.145
  414   2HA   GLY  56          HA1       GLY  56 174.767  24.719   4.917
  415    H    CYS  57           HN       CYS  57 173.192  21.656   5.429
  416    HA   CYS  57           HA       CYS  57 171.459  22.097   3.107
  417   1HB   CYS  57          HB2       CYS  57 173.812  20.388   3.213
  418   2HB   CYS  57          HB1       CYS  57 172.363  19.478   2.806
  419    H    SER  58           HN       SER  58 172.364  19.205   4.949
  420    HA   SER  58           HA       SER  58 171.179  17.789   6.268
  421   1HB   SER  58          HB2       SER  58 170.467  20.271   7.150
  422   2HB   SER  58          HB1       SER  58 168.893  19.584   6.745
  423    HG   SER  58           HG       SER  58 170.352  19.124   8.894
  424    H    ALA  59           HN       ALA  59 170.396  18.483   3.306
  425    HA   ALA  59           HA       ALA  59 167.682  17.447   3.230
  426   1HB   ALA  59          HB1       ALA  59 169.482  18.078   0.897
  427   2HB   ALA  59          HB2       ALA  59 168.471  19.275   1.706
  428   3HB   ALA  59          HB3       ALA  59 167.728  17.901   0.888
  429    H    ILE  60           HN       ILE  60 170.956  16.441   2.508
  430    HA   ILE  60           HA       ILE  60 170.235  13.949   1.320
  431    HB   ILE  60           HB       ILE  60 172.671  13.485   1.538
  432   1HG1  ILE  60          2HG1      ILE  60 173.764  15.967   2.058
  433   2HG1  ILE  60          1HG1      ILE  60 172.489  15.831   3.262
  434   1HG2  ILE  60          1HG2      ILE  60 172.299  14.333  -0.525
  435   2HG2  ILE  60          2HG2      ILE  60 173.255  15.668   0.118
  436   3HG2  ILE  60          3HG2      ILE  60 171.495  15.773   0.099
  437   1HD1  ILE  60          HD11      ILE  60 173.657  14.395   4.467
  438   2HD1  ILE  60          HD12      ILE  60 175.036  14.814   3.451
  439   3HD1  ILE  60          HD13      ILE  60 174.048  13.406   3.061
  440    H    GLU  61           HN       GLU  61 169.976  14.943   4.447
  441    HA   GLU  61           HA       GLU  61 171.185  13.213   6.132
  442   1HB   GLU  61          HB2       GLU  61 168.599  14.608   6.131
  443   2HB   GLU  61          HB1       GLU  61 168.674  13.217   7.203
  444   1HG   GLU  61          HG2       GLU  61 171.023  14.493   7.756
  445   2HG   GLU  61          HG1       GLU  61 169.931  15.838   7.433
  446    H    LYS  62           HN       LYS  62 168.396  12.488   4.114
  447    HA   LYS  62           HA       LYS  62 167.791   9.948   5.120
  448   1HB   LYS  62          HB2       LYS  62 167.296  11.387   2.565
  449   2HB   LYS  62          HB1       LYS  62 167.088   9.641   2.553
  450   1HG   LYS  62          HG2       LYS  62 165.372   9.724   4.152
  451   2HG   LYS  62          HG1       LYS  62 165.760  11.387   4.599
  452   1HD   LYS  62          HD2       LYS  62 164.872  10.675   1.821
  453   2HD   LYS  62          HD1       LYS  62 163.706  10.984   3.110
  454   1HE   LYS  62          HE2       LYS  62 164.850  13.185   3.485
  455   2HE   LYS  62          HE1       LYS  62 165.793  12.870   2.029
  456   1HZ   LYS  62          HZ1       LYS  62 162.997  13.618   2.303
  457   2HZ   LYS  62          HZ2       LYS  62 163.342  12.480   1.100
  458   3HZ   LYS  62          HZ3       LYS  62 164.104  13.989   1.078
  459    H    THR  63           HN       THR  63 169.998  10.953   2.543
  460    HA   THR  63           HA       THR  63 170.848   8.334   1.851
  461    HB   THR  63           HB       THR  63 172.058  11.067   1.403
  462    HG1  THR  63           1HG      THR  63 170.380  10.868   0.079
  463   1HG2  THR  63          1HG2      THR  63 173.442   9.948  -0.356
  464   2HG2  THR  63          2HG2      THR  63 173.044   8.410   0.411
  465   3HG2  THR  63          3HG2      THR  63 173.937   9.639   1.308
  466    H    GLN  64           HN       GLN  64 171.858  10.673   4.248
  467    HA   GLN  64           HA       GLN  64 174.369   9.591   4.891
  468   1HB   GLN  64          HB2       GLN  64 172.376  11.110   6.577
  469   2HB   GLN  64          HB1       GLN  64 173.991  10.690   7.130
  470   1HG   GLN  64          HG2       GLN  64 174.869  11.935   5.122
  471   2HG   GLN  64          HG1       GLN  64 173.225  12.527   4.884
  472   1HE2  GLN  64          1HE2      GLN  64 175.551  14.093   5.418
  473   2HE2  GLN  64          2HE2      GLN  64 175.286  14.913   6.915
  474    H    ARG  65           HN       ARG  65 171.334   9.216   6.734
  475    HA   ARG  65           HA       ARG  65 172.192   7.191   8.386
  476   1HB   ARG  65          HB2       ARG  65 169.423   7.808   7.367
  477   2HB   ARG  65          HB1       ARG  65 169.751   6.644   8.644
  478   1HG   ARG  65          HG2       ARG  65 170.959   8.618   9.801
  479   2HG   ARG  65          HG1       ARG  65 170.028   9.618   8.683
  480   1HD   ARG  65          HD2       ARG  65 168.526   7.524  10.123
  481   2HD   ARG  65          HD1       ARG  65 169.134   8.856  11.104
  482    HE   ARG  65           HE       ARG  65 166.962   8.942   9.272
  483   1HH1  ARG  65          HH11      ARG  65 169.577  10.854  10.568
  484   2HH1  ARG  65          HH12      ARG  65 168.777  12.365  10.291
  485   1HH2  ARG  65          HH21      ARG  65 165.908  10.927   8.906
  486   2HH2  ARG  65          HH22      ARG  65 166.693  12.406   9.347
  487    H    MET  66           HN       MET  66 170.522   6.981   5.275
  488    HA   MET  66           HA       MET  66 170.210   4.229   5.103
  489   1HB   MET  66          HB2       MET  66 170.330   6.480   3.193
  490   2HB   MET  66          HB1       MET  66 170.645   4.893   2.509
  491   1HG   MET  66          HG2       MET  66 168.422   4.457   4.056
  492   2HG   MET  66          HG1       MET  66 168.153   6.080   3.425
  493   1HE   MET  66          HE1       MET  66 166.437   6.010   2.222
  494   2HE   MET  66          HE2       MET  66 165.890   4.807   1.053
  495   3HE   MET  66          HE3       MET  66 166.933   6.131   0.533
  496    H    LEU  67           HN       LEU  67 173.012   6.232   4.457
  497    HA   LEU  67           HA       LEU  67 174.575   4.157   3.274
  498   1HB   LEU  67          HB2       LEU  67 175.174   6.900   4.342
  499   2HB   LEU  67          HB1       LEU  67 176.451   5.835   3.797
  500    HG   LEU  67           HG       LEU  67 174.148   6.517   2.000
  501   1HD1  LEU  67          HD11      LEU  67 175.584   8.298   1.046
  502   2HD1  LEU  67          HD12      LEU  67 176.675   8.102   2.418
  503   3HD1  LEU  67          HD13      LEU  67 175.018   8.648   2.680
  504   1HD2  LEU  67          HD21      LEU  67 176.060   4.682   1.694
  505   2HD2  LEU  67          HD22      LEU  67 176.916   6.085   1.053
  506   3HD2  LEU  67          HD23      LEU  67 175.381   5.588   0.342
  507    H    SER  68           HN       SER  68 174.291   5.575   6.498
  508    HA   SER  68           HA       SER  68 176.447   4.328   7.733
  509   1HB   SER  68          HB2       SER  68 175.455   4.905   9.792
  510   2HB   SER  68          HB1       SER  68 174.847   6.120   8.668
  511    HG   SER  68           HG       SER  68 172.925   5.454   9.146
  512    H    GLY  69           HN       GLY  69 173.121   3.215   7.370
  513   1HA   GLY  69          HA2       GLY  69 173.214   0.877   8.793
  514   2HA   GLY  69          HA1       GLY  69 172.223   1.111   7.368
  515    H    PHE  70           HN       PHE  70 174.732   1.581   5.758
  516    HA   PHE  70           HA       PHE  70 175.326  -1.254   5.316
  517   1HB   PHE  70          HB2       PHE  70 175.480   1.185   3.564
  518   2HB   PHE  70          HB1       PHE  70 176.317  -0.302   3.129
  519    HD1  PHE  70           HD1      PHE  70 175.214  -1.855   1.842
  520    HD2  PHE  70           HD2      PHE  70 172.942   0.894   4.164
  521    HE1  PHE  70           HE1      PHE  70 173.142  -2.729   0.843
  522    HE2  PHE  70           HE2      PHE  70 170.866   0.024   3.170
  523    HZ   PHE  70           HZ       PHE  70 170.965  -1.790   1.507
  524    H    CYS  71           HN       CYS  71 176.810   1.767   6.209
  525    HA   CYS  71           HA       CYS  71 179.463   1.377   5.646
  526   1HB   CYS  71          HB2       CYS  71 178.965   3.441   6.605
  527   2HB   CYS  71          HB1       CYS  71 178.056   2.721   7.927
  528    HA   PRO  72           HA       PRO  72 180.208  -2.441   7.911
  529   1HB   PRO  72          HB2       PRO  72 182.797  -2.735   7.146
  530   2HB   PRO  72          HB1       PRO  72 181.433  -3.147   6.101
  531   1HG   PRO  72          HG2       PRO  72 183.119  -0.671   6.126
  532   2HG   PRO  72          HG1       PRO  72 182.554  -1.625   4.742
  533   1HD   PRO  72          HD2       PRO  72 181.348   0.671   5.493
  534   2HD   PRO  72          HD1       PRO  72 180.444  -0.689   4.796
  535    H    HIS  73           HN       HIS  73 182.090   0.505   8.108
  536    HA   HIS  73           HA       HIS  73 183.117  -0.349  10.733
  537   1HB   HIS  73          HB2       HIS  73 184.212   1.899   9.040
  538   2HB   HIS  73          HB1       HIS  73 184.969   1.130  10.431
  539    HD1  HIS  73           HD1      HIS  73 185.783   1.342   7.189
  540    HD2  HIS  73           HD2      HIS  73 184.811  -1.982   9.486
  541    HE1  HIS  73           HE1      HIS  73 186.810  -0.621   5.999
  542    HE2  HIS  73           HE2      HIS  73 186.283  -2.610   7.454
  543    H    LYS  74           HN       LYS  74 183.851   2.652  11.039
  544    HA   LYS  74           HA       LYS  74 181.196   3.750  11.565
  545   1HB   LYS  74          HB2       LYS  74 182.305   2.519  13.603
  546   2HB   LYS  74          HB1       LYS  74 183.275   3.981  13.703
  547   1HG   LYS  74          HG2       LYS  74 180.642   4.865  13.445
  548   2HG   LYS  74          HG1       LYS  74 180.576   3.509  14.571
  549   1HD   LYS  74          HD2       LYS  74 181.244   4.923  16.160
  550   2HD   LYS  74          HD1       LYS  74 182.815   4.962  15.356
  551   1HE   LYS  74          HE2       LYS  74 180.778   6.718  14.176
  552   2HE   LYS  74          HE1       LYS  74 181.252   7.139  15.821
  553   1HZ   LYS  74          HZ1       LYS  74 182.783   8.283  14.580
  554   2HZ   LYS  74          HZ2       LYS  74 182.878   7.101  13.374
  555   3HZ   LYS  74          HZ3       LYS  74 183.632   6.847  14.866
  556    H    VAL  75           HN       VAL  75 181.084   5.957  11.413
  557    HA   VAL  75           HA       VAL  75 183.353   7.657  11.514
  558    HB   VAL  75           HB       VAL  75 183.798   6.673   9.319
  559   1HG1  VAL  75          1HG1      VAL  75 182.315   6.624   7.553
  560   2HG1  VAL  75          2HG1      VAL  75 181.312   7.911   8.221
  561   3HG1  VAL  75          3HG1      VAL  75 181.258   6.295   8.925
  562   1HG2  VAL  75          1HG2      VAL  75 182.804   9.435   8.753
  563   2HG2  VAL  75          2HG2      VAL  75 184.299   8.655   8.237
  564   3HG2  VAL  75          3HG2      VAL  75 184.111   9.181   9.910
  565    H    SER  76           HN       SER  76 182.181   9.000  12.814
  566    HA   SER  76           HA       SER  76 179.765  10.206  11.755
  567   1HB   SER  76          HB2       SER  76 179.532   8.900  13.866
  568   2HB   SER  76          HB1       SER  76 180.690  10.003  14.608
  569    HG   SER  76           HG       SER  76 178.259  10.829  13.403
  570    H    ALA  77           HN       ALA  77 180.278  11.886  14.045
  571    HA   ALA  77           HA       ALA  77 181.908  13.925  12.705
  572   1HB   ALA  77          HB1       ALA  77 179.488  14.050  14.389
  573   2HB   ALA  77          HB2       ALA  77 179.980  15.056  13.026
  574   3HB   ALA  77          HB3       ALA  77 180.668  15.339  14.625
  575    H    GLY  78           HN       GLY  78 183.836  12.788  13.530
  576   1HA   GLY  78          HA2       GLY  78 184.710  14.011  15.995
  577   2HA   GLY  78          HA1       GLY  78 184.566  12.262  16.082
  578    H    GLN  79           HN       GLN  79 186.287  14.938  14.637
  579    HA   GLN  79           HA       GLN  79 188.332  15.099  13.653
  580   1HB   GLN  79          HB2       GLN  79 188.947  12.405  14.857
  581   2HB   GLN  79          HB1       GLN  79 190.074  13.698  14.469
  582   1HG   GLN  79          HG2       GLN  79 189.949  14.166  16.647
  583   2HG   GLN  79          HG1       GLN  79 188.428  14.950  16.221
  584   1HE2  GLN  79          1HE2      GLN  79 189.411  11.564  16.632
  585   2HE2  GLN  79          2HE2      GLN  79 188.182  11.168  17.779
  586    H    PHE  80           HN       PHE  80 190.058  13.379  12.481
  587    HA   PHE  80           HA       PHE  80 188.939  12.892   9.990
  588   1HB   PHE  80          HB2       PHE  80 190.986  11.840   9.400
  589   2HB   PHE  80          HB1       PHE  80 191.396  13.088  10.568
  590    HD1  PHE  80           HD1      PHE  80 190.304  11.294  12.951
  591    HD2  PHE  80           HD2      PHE  80 193.085  10.701   9.783
  592    HE1  PHE  80           HE1      PHE  80 191.489   9.624  14.310
  593    HE2  PHE  80           HE2      PHE  80 194.273   9.027  11.137
  594    HZ   PHE  80           HZ       PHE  80 193.476   8.486  13.403
  595    H    SER  81           HN       SER  81 189.176  10.581   8.935
  596    HA   SER  81           HA       SER  81 187.462   8.808  10.529
  597   1HB   SER  81          HB2       SER  81 187.934   8.756   7.540
  598   2HB   SER  81          HB1       SER  81 186.710   7.856   8.435
  599    HG   SER  81           HG       SER  81 186.444  10.220   7.373
  600    H    SER  82           HN       SER  82 190.210   8.816  11.091
  601    HA   SER  82           HA       SER  82 191.978   7.419  11.390
  602   1HB   SER  82          HB2       SER  82 191.502   5.143  11.730
  603   2HB   SER  82          HB1       SER  82 189.963   5.941  12.050
  604    HG   SER  82           HG       SER  82 189.125   5.021  10.341
  605    H    LEU  83           HN       LEU  83 192.248   8.692   9.094
  606    HA   LEU  83           HA       LEU  83 193.295   8.668   7.075
  607   1HB   LEU  83          HB2       LEU  83 194.088   5.914   8.018
  608   2HB   LEU  83          HB1       LEU  83 194.749   6.691   6.593
  609    HG   LEU  83           HG       LEU  83 195.299   8.602   8.384
  610   1HD1  LEU  83          HD11      LEU  83 195.577   6.078   9.996
  611   2HD1  LEU  83          HD12      LEU  83 194.242   7.213  10.193
  612   3HD1  LEU  83          HD13      LEU  83 195.898   7.735  10.507
  613   1HD2  LEU  83          HD21      LEU  83 197.534   7.826   8.373
  614   2HD2  LEU  83          HD22      LEU  83 196.827   7.317   6.839
  615   3HD2  LEU  83          HD23      LEU  83 197.028   6.151   8.147
  616    H    HIS  84           HN       HIS  84 193.608   7.026   5.034
  617    HA   HIS  84           HA       HIS  84 192.586   5.980   3.293
  618   1HB   HIS  84          HB2       HIS  84 190.597   4.961   5.330
  619   2HB   HIS  84          HB1       HIS  84 190.917   4.287   3.736
  620    HD1  HIS  84           HD1      HIS  84 191.188   2.614   6.343
  621    HD2  HIS  84           HD2      HIS  84 194.328   4.535   4.415
  622    HE1  HIS  84           HE1      HIS  84 193.265   1.390   7.058
  623    HE2  HIS  84           HE2      HIS  84 195.143   2.515   5.811
  624    H    VAL  85           HN       VAL  85 191.838   8.676   4.121
  625    HA   VAL  85           HA       VAL  85 189.093   8.782   3.066
  626    HB   VAL  85           HB       VAL  85 189.459  11.266   4.097
  627   1HG1  VAL  85          1HG1      VAL  85 188.393   8.824   5.501
  628   2HG1  VAL  85          2HG1      VAL  85 187.498   9.920   4.450
  629   3HG1  VAL  85          3HG1      VAL  85 188.094  10.486   6.010
  630   1HG2  VAL  85          1HG2      VAL  85 190.434  11.032   6.336
  631   2HG2  VAL  85          2HG2      VAL  85 191.622  10.732   5.068
  632   3HG2  VAL  85          3HG2      VAL  85 190.911   9.379   5.948
  633    H    ARG  86           HN       ARG  86 192.312  10.176   2.907
  634    HA   ARG  86           HA       ARG  86 191.697  12.106   0.907
  635   1HB   ARG  86          HB2       ARG  86 194.187  12.233   0.642
  636   2HB   ARG  86          HB1       ARG  86 193.615  12.482   2.285
  637   1HG   ARG  86          HG2       ARG  86 194.306  10.310   2.946
  638   2HG   ARG  86          HG1       ARG  86 194.623   9.836   1.276
  639   1HD   ARG  86          HD2       ARG  86 196.751  10.343   1.845
  640   2HD   ARG  86          HD1       ARG  86 196.226  11.978   1.443
  641    HE   ARG  86           HE       ARG  86 196.527  12.536   3.628
  642   1HH1  ARG  86          HH11      ARG  86 196.086   9.079   3.444
  643   2HH1  ARG  86          HH12      ARG  86 196.372   8.826   5.132
  644   1HH2  ARG  86          HH21      ARG  86 196.905  12.206   5.850
  645   2HH2  ARG  86          HH22      ARG  86 196.837  10.601   6.499
  646    H    ASP  87           HN       ASP  87 191.581  11.912  -1.241
  647    HA   ASP  87           HA       ASP  87 192.983   9.910  -2.707
  648   1HB   ASP  87          HB2       ASP  87 190.145   9.454  -1.973
  649   2HB   ASP  87          HB1       ASP  87 190.599   9.095  -3.636
  650    H    THR  88           HN       THR  88 189.779  11.074  -3.572
  651    HA   THR  88           HA       THR  88 191.000  13.044  -5.376
  652    HB   THR  88           HB       THR  88 188.786  12.105  -6.769
  653    HG1  THR  88           1HG      THR  88 188.960   9.903  -6.777
  654   1HG2  THR  88          1HG2      THR  88 191.419  10.879  -7.355
  655   2HG2  THR  88          2HG2      THR  88 191.270  12.633  -7.454
  656   3HG2  THR  88          3HG2      THR  88 190.235  11.603  -8.443
  657    H    LYS  89           HN       LYS  89 190.078  14.987  -5.273
  658    HA   LYS  89           HA       LYS  89 187.632  15.291  -3.713
  659   1HB   LYS  89          HB2       LYS  89 189.871  17.078  -4.523
  660   2HB   LYS  89          HB1       LYS  89 188.303  17.820  -4.236
  661   1HG   LYS  89          HG2       LYS  89 188.494  17.624  -2.026
  662   2HG   LYS  89          HG1       LYS  89 189.076  15.961  -2.135
  663   1HD   LYS  89          HD2       LYS  89 191.306  16.655  -2.447
  664   2HD   LYS  89          HD1       LYS  89 190.824  18.315  -2.797
  665   1HE   LYS  89          HE2       LYS  89 190.274  18.740  -0.546
  666   2HE   LYS  89          HE1       LYS  89 190.297  17.026  -0.135
  667   1HZ   LYS  89          HZ1       LYS  89 192.467  18.914  -0.258
  668   2HZ   LYS  89          HZ2       LYS  89 192.804  17.454  -1.043
  669   3HZ   LYS  89          HZ3       LYS  89 192.351  17.452   0.586
  670    H    ILE  90           HN       ILE  90 185.720  15.432  -4.678
  671    HA   ILE  90           HA       ILE  90 185.588  16.632  -7.364
  672    HB   ILE  90           HB       ILE  90 183.836  15.066  -8.001
  673   1HG1  ILE  90          2HG1      ILE  90 184.395  13.699  -5.359
  674   2HG1  ILE  90          1HG1      ILE  90 182.945  14.623  -5.737
  675   1HG2  ILE  90          1HG2      ILE  90 185.889  13.168  -7.081
  676   2HG2  ILE  90          2HG2      ILE  90 186.486  14.569  -7.970
  677   3HG2  ILE  90          3HG2      ILE  90 185.293  13.500  -8.707
  678   1HD1  ILE  90          HD11      ILE  90 182.075  12.982  -7.042
  679   2HD1  ILE  90          HD12      ILE  90 183.025  11.995  -5.931
  680   3HD1  ILE  90          HD13      ILE  90 183.657  12.377  -7.533
  681    H    GLU  91           HN       GLU  91 183.587  17.665  -7.897
  682    HA   GLU  91           HA       GLU  91 182.557  19.292  -5.882
  683   1HB   GLU  91          HB2       GLU  91 181.813  18.685  -8.694
  684   2HB   GLU  91          HB1       GLU  91 180.600  19.479  -7.700
  685   1HG   GLU  91          HG2       GLU  91 183.277  20.659  -7.538
  686   2HG   GLU  91          HG1       GLU  91 182.517  20.755  -9.126
  687    H    VAL  92           HN       VAL  92 180.835  19.190  -4.547
  688    HA   VAL  92           HA       VAL  92 179.818  16.785  -3.672
  689    HB   VAL  92           HB       VAL  92 177.743  18.470  -3.052
  690   1HG1  VAL  92          1HG1      VAL  92 179.391  18.969  -1.006
  691   2HG1  VAL  92          2HG1      VAL  92 180.258  17.629  -1.757
  692   3HG1  VAL  92          3HG1      VAL  92 178.585  17.418  -1.240
  693   1HG2  VAL  92          1HG2      VAL  92 178.975  20.295  -4.285
  694   2HG2  VAL  92          2HG2      VAL  92 180.202  20.202  -3.021
  695   3HG2  VAL  92          3HG2      VAL  92 178.547  20.653  -2.611
  696    H    ALA  93           HN       ALA  93 178.598  18.852  -6.245
  697    HA   ALA  93           HA       ALA  93 176.074  17.671  -6.576
  698   1HB   ALA  93          HB1       ALA  93 177.868  18.946  -8.640
  699   2HB   ALA  93          HB2       ALA  93 176.650  19.762  -7.661
  700   3HB   ALA  93          HB3       ALA  93 176.160  18.575  -8.869
  701    H    GLN  94           HN       GLN  94 179.067  17.062  -8.414
  702    HA   GLN  94           HA       GLN  94 178.106  14.794  -9.780
  703   1HB   GLN  94          HB2       GLN  94 180.483  16.300  -9.722
  704   2HB   GLN  94          HB1       GLN  94 180.957  14.657  -9.313
  705   1HG   GLN  94          HG2       GLN  94 179.211  15.220 -11.675
  706   2HG   GLN  94          HG1       GLN  94 180.965  15.369 -11.775
  707   1HE2  GLN  94          1HE2      GLN  94 178.399  13.125 -10.840
  708   2HE2  GLN  94          2HE2      GLN  94 179.236  11.690 -11.316
  709    H    PHE  95           HN       PHE  95 179.437  15.295  -6.626
  710    HA   PHE  95           HA       PHE  95 180.217  12.696  -5.959
  711   1HB   PHE  95          HB2       PHE  95 180.590  14.891  -4.682
  712   2HB   PHE  95          HB1       PHE  95 178.976  14.639  -4.026
  713    HD1  PHE  95           HD1      PHE  95 178.684  13.319  -2.135
  714    HD2  PHE  95           HD2      PHE  95 182.282  13.007  -4.379
  715    HE1  PHE  95           HE1      PHE  95 179.636  11.859  -0.397
  716    HE2  PHE  95           HE2      PHE  95 183.240  11.550  -2.657
  717    HZ   PHE  95           HZ       PHE  95 181.921  10.971  -0.656
  718    H    VAL  96           HN       VAL  96 177.186  14.381  -5.295
  719    HA   VAL  96           HA       VAL  96 175.788  12.233  -4.178
  720    HB   VAL  96           HB       VAL  96 174.582  14.473  -5.810
  721   1HG1  VAL  96          1HG1      VAL  96 172.568  14.038  -4.743
  722   2HG1  VAL  96          2HG1      VAL  96 173.339  13.127  -3.444
  723   3HG1  VAL  96          3HG1      VAL  96 173.207  12.424  -5.056
  724   1HG2  VAL  96          1HG2      VAL  96 174.321  15.200  -3.183
  725   2HG2  VAL  96          2HG2      VAL  96 175.528  15.832  -4.303
  726   3HG2  VAL  96          3HG2      VAL  96 175.940  14.500  -3.223
  727    H    LYS  97           HN       LYS  97 175.889  13.430  -7.515
  728    HA   LYS  97           HA       LYS  97 174.140  11.651  -8.707
  729   1HB   LYS  97          HB2       LYS  97 176.587  13.075  -9.701
  730   2HB   LYS  97          HB1       LYS  97 175.728  11.955 -10.749
  731   1HG   LYS  97          HG2       LYS  97 174.077  13.404 -11.132
  732   2HG   LYS  97          HG1       LYS  97 173.972  13.874  -9.435
  733   1HD   LYS  97          HD2       LYS  97 176.153  15.168  -9.881
  734   2HD   LYS  97          HD1       LYS  97 175.756  14.964 -11.588
  735   1HE   LYS  97          HE2       LYS  97 174.845  17.043 -11.022
  736   2HE   LYS  97          HE1       LYS  97 173.472  15.938 -10.987
  737   1HZ   LYS  97          HZ1       LYS  97 173.239  16.155  -8.771
  738   2HZ   LYS  97          HZ2       LYS  97 174.026  17.630  -9.025
  739   3HZ   LYS  97          HZ3       LYS  97 174.901  16.290  -8.479
  740    H    ASP  98           HN       ASP  98 177.606  11.205  -8.018
  741    HA   ASP  98           HA       ASP  98 177.780   8.685  -9.256
  742   1HB   ASP  98          HB2       ASP  98 179.522  10.276  -7.483
  743   2HB   ASP  98          HB1       ASP  98 179.824   8.542  -7.533
  744    H    LEU  99           HN       LEU  99 177.029   9.721  -6.120
  745    HA   LEU  99           HA       LEU  99 177.074   7.286  -4.743
  746   1HB   LEU  99          HB2       LEU  99 176.826   8.965  -3.275
  747   2HB   LEU  99          HB1       LEU  99 176.157  10.000  -4.530
  748    HG   LEU  99           HG       LEU  99 174.007   8.401  -3.956
  749   1HD1  LEU  99          HD11      LEU  99 175.274   8.961  -1.292
  750   2HD1  LEU  99          HD12      LEU  99 175.404   7.396  -2.095
  751   3HD1  LEU  99          HD13      LEU  99 173.821   8.026  -1.641
  752   1HD2  LEU  99          HD21      LEU  99 173.805  10.750  -4.149
  753   2HD2  LEU  99          HD22      LEU  99 174.870  11.026  -2.770
  754   3HD2  LEU  99          HD23      LEU  99 173.265  10.338  -2.522
  755    H    LEU 100           HN       LEU 100 174.653   8.922  -6.693
  756    HA   LEU 100           HA       LEU 100 172.532   7.068  -6.294
  757   1HB   LEU 100          HB2       LEU 100 171.933   9.245  -6.998
  758   2HB   LEU 100          HB1       LEU 100 173.111   9.239  -8.290
  759    HG   LEU 100           HG       LEU 100 170.574   9.031  -8.831
  760   1HD1  LEU 100          HD11      LEU 100 171.794   8.933 -10.717
  761   2HD1  LEU 100          HD12      LEU 100 171.356   7.226 -10.651
  762   3HD1  LEU 100          HD13      LEU 100 172.930   7.757 -10.057
  763   1HD2  LEU 100          HD21      LEU 100 170.927   6.660  -7.342
  764   2HD2  LEU 100          HD22      LEU 100 170.699   6.186  -9.023
  765   3HD2  LEU 100          HD23      LEU 100 169.497   7.194  -8.222
  766    H    LEU 101           HN       LEU 101 175.164   7.411  -8.541
  767    HA   LEU 101           HA       LEU 101 174.458   5.625 -10.547
  768   1HB   LEU 101          HB2       LEU 101 176.316   6.973 -10.932
  769   2HB   LEU 101          HB1       LEU 101 177.034   6.614  -9.398
  770    HG   LEU 101           HG       LEU 101 178.020   5.703 -11.678
  771   1HD1  LEU 101          HD11      LEU 101 179.430   4.547 -10.374
  772   2HD1  LEU 101          HD12      LEU 101 178.136   3.656  -9.574
  773   3HD1  LEU 101          HD13      LEU 101 178.527   5.299  -9.058
  774   1HD2  LEU 101          HD21      LEU 101 177.184   3.784 -12.511
  775   2HD2  LEU 101          HD22      LEU 101 175.683   4.384 -11.804
  776   3HD2  LEU 101          HD23      LEU 101 176.658   3.200 -10.932
  777    H    HIS 102           HN       HIS 102 176.832   4.952  -8.046
  778    HA   HIS 102           HA       HIS 102 176.794   2.163  -8.387
  779   1HB   HIS 102          HB2       HIS 102 178.678   3.218  -7.332
  780   2HB   HIS 102          HB1       HIS 102 177.670   3.830  -6.027
  781    HD2  HIS 102           HD2      HIS 102 177.290   2.143  -3.928
  782    HE1  HIS 102           HE1      HIS 102 179.330  -1.160  -5.613
  783    HE2  HIS 102           HE2      HIS 102 178.077  -0.305  -3.582
  784    H    LEU 103           HN       LEU 103 175.074   4.165  -5.977
  785    HA   LEU 103           HA       LEU 103 174.019   2.103  -4.462
  786   1HB   LEU 103          HB2       LEU 103 173.108   4.873  -5.090
  787   2HB   LEU 103          HB1       LEU 103 172.085   3.813  -4.147
  788    HG   LEU 103           HG       LEU 103 174.929   4.450  -3.393
  789   1HD1  LEU 103          HD11      LEU 103 173.933   5.968  -1.715
  790   2HD1  LEU 103          HD12      LEU 103 172.369   5.759  -2.503
  791   3HD1  LEU 103          HD13      LEU 103 173.703   6.511  -3.377
  792   1HD2  LEU 103          HD21      LEU 103 174.204   2.433  -2.377
  793   2HD2  LEU 103          HD22      LEU 103 172.632   3.122  -1.974
  794   3HD2  LEU 103          HD23      LEU 103 174.083   3.694  -1.150
  795    H    LYS 104           HN       LYS 104 172.485   3.731  -7.255
  796    HA   LYS 104           HA       LYS 104 170.192   2.105  -7.278
  797   1HB   LYS 104          HB2       LYS 104 169.604   3.182  -9.230
  798   2HB   LYS 104          HB1       LYS 104 170.740   4.334  -8.549
  799   1HG   LYS 104          HG2       LYS 104 172.475   3.007 -10.003
  800   2HG   LYS 104          HG1       LYS 104 171.034   2.546 -10.909
  801   1HD   LYS 104          HD2       LYS 104 171.911   5.367 -10.301
  802   2HD   LYS 104          HD1       LYS 104 172.098   4.542 -11.849
  803   1HE   LYS 104          HE2       LYS 104 169.537   4.206 -11.706
  804   2HE   LYS 104          HE1       LYS 104 169.596   5.493 -10.503
  805   1HZ   LYS 104          HZ1       LYS 104 171.054   6.536 -12.498
  806   2HZ   LYS 104          HZ2       LYS 104 169.400   6.816 -12.282
  807   3HZ   LYS 104          HZ3       LYS 104 169.921   5.631 -13.371
  808    H    LYS 105           HN       LYS 105 173.347   1.734  -8.836
  809    HA   LYS 105           HA       LYS 105 172.660  -0.480 -10.438
  810   1HB   LYS 105          HB2       LYS 105 175.042   0.994  -9.715
  811   2HB   LYS 105          HB1       LYS 105 175.374  -0.730  -9.796
  812   1HG   LYS 105          HG2       LYS 105 175.194  -0.774 -12.024
  813   2HG   LYS 105          HG1       LYS 105 173.761   0.257 -12.009
  814   1HD   LYS 105          HD2       LYS 105 175.092   2.228 -11.836
  815   2HD   LYS 105          HD1       LYS 105 176.562   1.281 -11.596
  816   1HE   LYS 105          HE2       LYS 105 176.830   1.634 -13.808
  817   2HE   LYS 105          HE1       LYS 105 175.723   0.268 -13.946
  818   1HZ   LYS 105          HZ1       LYS 105 174.052   1.580 -14.657
  819   2HZ   LYS 105          HZ2       LYS 105 175.314   2.596 -15.142
  820   3HZ   LYS 105          HZ3       LYS 105 174.500   2.895 -13.690
  821    H    LEU 106           HN       LEU 106 173.473  -0.174  -7.080
  822    HA   LEU 106           HA       LEU 106 174.035  -2.964  -6.687
  823   1HB   LEU 106          HB2       LEU 106 175.174  -1.481  -5.246
  824   2HB   LEU 106          HB1       LEU 106 173.702  -0.618  -4.846
  825    HG   LEU 106           HG       LEU 106 173.869  -3.491  -4.085
  826   1HD1  LEU 106          HD11      LEU 106 174.855  -2.358  -1.858
  827   2HD1  LEU 106          HD12      LEU 106 175.650  -1.366  -3.081
  828   3HD1  LEU 106          HD13      LEU 106 175.861  -3.117  -3.093
  829   1HD2  LEU 106          HD21      LEU 106 172.384  -1.069  -3.346
  830   2HD2  LEU 106          HD22      LEU 106 172.865  -2.088  -1.989
  831   3HD2  LEU 106          HD23      LEU 106 171.895  -2.763  -3.298
  832    H    PHE 107           HN       PHE 107 171.517  -0.822  -5.424
  833    HA   PHE 107           HA       PHE 107 169.869  -2.846  -4.428
  834   1HB   PHE 107          HB2       PHE 107 169.802  -0.157  -4.256
  835   2HB   PHE 107          HB1       PHE 107 168.528  -0.395  -5.447
  836    HD1  PHE 107           HD1      PHE 107 167.915  -3.250  -4.091
  837    HD2  PHE 107           HD2      PHE 107 168.112   0.778  -2.739
  838    HE1  PHE 107           HE1      PHE 107 166.344  -3.788  -2.277
  839    HE2  PHE 107           HE2      PHE 107 166.541   0.247  -0.920
  840    HZ   PHE 107           HZ       PHE 107 165.657  -2.038  -0.688
  841    H    ARG 108           HN       ARG 108 170.363  -1.720  -7.652
  842    HA   ARG 108           HA       ARG 108 167.908  -2.899  -8.660
  843   1HB   ARG 108          HB2       ARG 108 168.841  -0.821  -9.645
  844   2HB   ARG 108          HB1       ARG 108 170.250  -1.730 -10.174
  845   1HG   ARG 108          HG2       ARG 108 168.373  -3.230 -11.307
  846   2HG   ARG 108          HG1       ARG 108 167.493  -1.702 -11.248
  847   1HD   ARG 108          HD2       ARG 108 169.890  -0.865 -12.178
  848   2HD   ARG 108          HD1       ARG 108 169.827  -2.489 -12.862
  849    HE   ARG 108           HE       ARG 108 168.171  -1.794 -14.282
  850   1HH1  ARG 108          HH11      ARG 108 168.562   0.577 -11.752
  851   2HH1  ARG 108          HH12      ARG 108 167.515   1.734 -12.502
  852   1HH2  ARG 108          HH21      ARG 108 166.793  -0.273 -15.271
  853   2HH2  ARG 108          HH22      ARG 108 166.510   1.251 -14.500
  854    H    GLU 109           HN       GLU 109 171.393  -3.548  -8.789
  855    HA   GLU 109           HA       GLU 109 171.207  -5.826 -10.458
  856   1HB   GLU 109          HB2       GLU 109 173.303  -4.758  -8.598
  857   2HB   GLU 109          HB1       GLU 109 173.497  -6.346  -9.327
  858   1HG   GLU 109          HG2       GLU 109 172.810  -4.133 -11.155
  859   2HG   GLU 109          HG1       GLU 109 174.417  -4.095 -10.432
  860    H    GLY 110           HN       GLY 110 170.700  -5.342  -7.062
  861   1HA   GLY 110          HA2       GLY 110 169.871  -6.769  -5.460
  862   2HA   GLY 110          HA1       GLY 110 169.575  -7.932  -6.743
  863    H    ARG 111           HN       ARG 111 171.156  -7.524  -3.935
  864    HA   ARG 111           HA       ARG 111 173.205  -8.187  -3.081
  865   1HB   ARG 111          HB2       ARG 111 172.296 -10.881  -3.871
  866   2HB   ARG 111          HB1       ARG 111 172.753 -10.257  -2.300
  867   1HG   ARG 111          HG2       ARG 111 170.627  -9.143  -2.076
  868   2HG   ARG 111          HG1       ARG 111 170.165  -9.655  -3.701
  869   1HD   ARG 111          HD2       ARG 111 170.664 -11.419  -1.308
  870   2HD   ARG 111          HD1       ARG 111 169.116 -11.103  -2.090
  871    HE   ARG 111           HE       ARG 111 171.089 -12.999  -2.895
  872   1HH1  ARG 111          HH11      ARG 111 168.589 -10.880  -4.093
  873   2HH1  ARG 111          HH12      ARG 111 168.295 -11.825  -5.514
  874   1HH2  ARG 111          HH21      ARG 111 170.704 -14.243  -4.763
  875   2HH2  ARG 111          HH22      ARG 111 169.496 -13.735  -5.895
  876    H    PHE 112           HN       PHE 112 173.974  -7.317  -5.478
  877    HA   PHE 112           HA       PHE 112 175.275  -9.342  -7.038
  878   1HB   PHE 112          HB2       PHE 112 175.669  -7.667  -8.531
  879   2HB   PHE 112          HB1       PHE 112 174.390  -6.888  -7.611
  880    HD1  PHE 112           HD1      PHE 112 178.021  -7.084  -8.087
  881    HD2  PHE 112           HD2      PHE 112 174.789  -4.946  -6.346
  882    HE1  PHE 112           HE1      PHE 112 179.545  -5.211  -7.582
  883    HE2  PHE 112           HE2      PHE 112 176.298  -3.064  -5.835
  884    HZ   PHE 112           HZ       PHE 112 178.680  -3.197  -6.454
  885    H    ASN 113           HN       ASN 113 176.163  -7.026  -4.573
  886    HA   ASN 113           HA       ASN 113 178.133  -6.584  -3.487
  887   1HB   ASN 113          HB2       ASN 113 179.158  -8.621  -2.480
  888   2HB   ASN 113          HB1       ASN 113 177.409  -8.549  -2.291
  889   1HD2  ASN 113          HD21      ASN 113 176.106  -9.921  -3.558
  890   2HD2  ASN 113          HD22      ASN 113 176.746 -11.365  -4.257
  Start of MODEL    5
    1   1H    GLY   1          HT1       GLY   1 199.812 -10.393  12.088
    2   2H    GLY   1          HT2       GLY   1 199.329 -11.600  11.006
    3   3H    GLY   1          HT3       GLY   1 198.371 -11.239  12.353
    4   1HA   GLY   1          HA1       GLY   1 197.243 -10.174  10.662
    5   2HA   GLY   1          HA2       GLY   1 198.211  -8.897  11.382
    6    H    GLY   2           HN       GLY   2 197.526  -8.162   9.052
    7   1HA   GLY   2          HA2       GLY   2 199.363  -7.337   7.479
    8   2HA   GLY   2          HA1       GLY   2 199.588  -9.046   7.138
    9    HA   PRO   3           HA       PRO   3 196.752  -7.240   3.889
   10   1HB   PRO   3          HB2       PRO   3 198.087  -9.439   2.401
   11   2HB   PRO   3          HB1       PRO   3 197.768  -7.775   1.903
   12   1HG   PRO   3          HG2       PRO   3 200.228  -8.549   2.572
   13   2HG   PRO   3          HG1       PRO   3 199.621  -6.944   3.022
   14   1HD   PRO   3          HD2       PRO   3 199.940  -9.393   4.706
   15   2HD   PRO   3          HD1       PRO   3 200.218  -7.691   5.126
   16    H    VAL   4           HN       VAL   4 195.702  -9.016   2.099
   17    HA   VAL   4           HA       VAL   4 193.948 -10.454   1.890
   18    HB   VAL   4           HB       VAL   4 195.594 -12.067   3.840
   19   1HG1  VAL   4          1HG1      VAL   4 193.119 -12.643   2.336
   20   2HG1  VAL   4          2HG1      VAL   4 193.710 -13.321   3.852
   21   3HG1  VAL   4          3HG1      VAL   4 194.354 -13.901   2.317
   22   1HG2  VAL   4          1HG2      VAL   4 196.403 -13.198   1.763
   23   2HG2  VAL   4          2HG2      VAL   4 196.925 -11.522   1.934
   24   3HG2  VAL   4          3HG2      VAL   4 195.610 -11.927   0.832
   25    HA   PRO   5           HA       PRO   5 191.842  -8.997   5.737
   26   1HB   PRO   5          HB2       PRO   5 189.586  -8.175   4.462
   27   2HB   PRO   5          HB1       PRO   5 191.023  -7.159   4.629
   28   1HG   PRO   5          HG2       PRO   5 190.126  -8.802   2.293
   29   2HG   PRO   5          HG1       PRO   5 190.791  -7.159   2.315
   30   1HD   PRO   5          HD2       PRO   5 192.286  -9.319   1.675
   31   2HD   PRO   5          HD1       PRO   5 192.965  -7.906   2.508
   32    HA   PRO   6           HA       PRO   6 189.184 -12.443   6.442
   33   1HB   PRO   6          HB2       PRO   6 186.937 -11.342   7.542
   34   2HB   PRO   6          HB1       PRO   6 188.459 -11.539   8.417
   35   1HG   PRO   6          HG2       PRO   6 187.350  -9.109   7.067
   36   2HG   PRO   6          HG1       PRO   6 188.166  -9.244   8.636
   37   1HD   PRO   6          HD2       PRO   6 189.442  -8.357   6.435
   38   2HD   PRO   6          HD1       PRO   6 190.269  -9.321   7.677
   39    H    SER   7           HN       SER   7 188.810 -13.037   4.264
   40    HA   SER   7           HA       SER   7 186.900 -11.891   2.570
   41   1HB   SER   7          HB2       SER   7 188.753 -13.603   2.026
   42   2HB   SER   7          HB1       SER   7 187.579 -14.824   2.516
   43    HG   SER   7           HG       SER   7 186.170 -13.997   0.916
   44    H    THR   8           HN       THR   8 186.590 -14.206   5.162
   45    HA   THR   8           HA       THR   8 184.090 -15.290   4.538
   46    HB   THR   8           HB       THR   8 185.277 -14.752   7.267
   47    HG1  THR   8           1HG      THR   8 186.414 -16.499   6.973
   48   1HG2  THR   8          1HG2      THR   8 183.399 -16.987   6.662
   49   2HG2  THR   8          2HG2      THR   8 182.777 -15.391   7.081
   50   3HG2  THR   8          3HG2      THR   8 183.817 -16.257   8.212
   51    H    ALA   9           HN       ALA   9 184.974 -12.288   6.124
   52    HA   ALA   9           HA       ALA   9 182.301 -11.636   6.921
   53   1HB   ALA   9          HB1       ALA   9 184.726  -9.859   6.690
   54   2HB   ALA   9          HB2       ALA   9 184.234 -10.756   8.127
   55   3HB   ALA   9          HB3       ALA   9 183.216  -9.455   7.507
   56    H    LEU  10           HN       LEU  10 184.268 -11.099   4.092
   57    HA   LEU  10           HA       LEU  10 182.729  -9.001   2.962
   58   1HB   LEU  10          HB2       LEU  10 184.975  -9.386   2.188
   59   2HB   LEU  10          HB1       LEU  10 184.588 -11.032   1.727
   60    HG   LEU  10           HG       LEU  10 183.148  -8.757   0.418
   61   1HD1  LEU  10          HD11      LEU  10 185.881  -8.806   0.430
   62   2HD1  LEU  10          HD12      LEU  10 184.877  -8.092  -0.831
   63   3HD1  LEU  10          HD13      LEU  10 185.495  -9.732  -1.020
   64   1HD2  LEU  10          HD21      LEU  10 183.559 -10.576  -1.485
   65   2HD2  LEU  10          HD22      LEU  10 182.202 -10.668  -0.362
   66   3HD2  LEU  10          HD23      LEU  10 183.650 -11.634  -0.077
   67    H    ARG  11           HN       ARG  11 182.684 -12.525   2.571
   68    HA   ARG  11           HA       ARG  11 180.756 -12.705   0.578
   69   1HB   ARG  11          HB2       ARG  11 180.585 -14.968   1.102
   70   2HB   ARG  11          HB1       ARG  11 182.189 -14.557   1.689
   71   1HG   ARG  11          HG2       ARG  11 180.747 -14.107   3.916
   72   2HG   ARG  11          HG1       ARG  11 179.782 -15.380   3.167
   73   1HD   ARG  11          HD2       ARG  11 182.683 -15.848   3.153
   74   2HD   ARG  11          HD1       ARG  11 181.945 -15.811   4.753
   75    HE   ARG  11           HE       ARG  11 180.832 -17.767   4.269
   76   1HH1  ARG  11          HH11      ARG  11 182.324 -16.525   1.365
   77   2HH1  ARG  11          HH12      ARG  11 182.041 -17.970   0.455
   78   1HH2  ARG  11          HH21      ARG  11 180.462 -19.666   3.070
   79   2HH2  ARG  11          HH22      ARG  11 180.985 -19.752   1.421
   80    H    GLU  12           HN       GLU  12 180.446 -11.838   3.904
   81    HA   GLU  12           HA       GLU  12 177.707 -12.433   4.257
   82   1HB   GLU  12          HB2       GLU  12 179.810 -11.200   5.766
   83   2HB   GLU  12          HB1       GLU  12 178.371 -10.194   5.857
   84   1HG   GLU  12          HG2       GLU  12 177.086 -12.193   6.563
   85   2HG   GLU  12          HG1       GLU  12 178.596 -13.102   6.593
   86    H    LEU  13           HN       LEU  13 179.295  -9.256   3.665
   87    HA   LEU  13           HA       LEU  13 176.835  -7.939   3.189
   88   1HB   LEU  13          HB2       LEU  13 179.677  -7.291   3.104
   89   2HB   LEU  13          HB1       LEU  13 178.749  -6.439   1.882
   90    HG   LEU  13           HG       LEU  13 177.453  -6.369   4.480
   91   1HD1  LEU  13          HD11      LEU  13 179.020  -4.888   5.582
   92   2HD1  LEU  13          HD12      LEU  13 180.166  -5.082   4.256
   93   3HD1  LEU  13          HD13      LEU  13 179.761  -6.459   5.280
   94   1HD2  LEU  13          HD21      LEU  13 176.613  -4.803   3.054
   95   2HD2  LEU  13          HD22      LEU  13 178.169  -4.518   2.275
   96   3HD2  LEU  13          HD23      LEU  13 177.836  -3.820   3.860
   97    H    ILE  14           HN       ILE  14 178.987  -9.774   1.173
   98    HA   ILE  14           HA       ILE  14 178.092  -8.800  -1.331
   99    HB   ILE  14           HB       ILE  14 179.796 -11.005  -0.381
  100   1HG1  ILE  14          2HG1      ILE  14 181.209 -10.238  -2.231
  101   2HG1  ILE  14          1HG1      ILE  14 179.906  -9.205  -2.810
  102   1HG2  ILE  14          1HG2      ILE  14 178.407 -12.442  -1.611
  103   2HG2  ILE  14          2HG2      ILE  14 179.753 -12.072  -2.689
  104   3HG2  ILE  14          3HG2      ILE  14 178.198 -11.269  -2.911
  105   1HD1  ILE  14          HD11      ILE  14 181.935  -8.450  -1.140
  106   2HD1  ILE  14          HD12      ILE  14 180.594  -8.721  -0.026
  107   3HD1  ILE  14          HD13      ILE  14 180.412  -7.590  -1.368
  108    H    GLU  15           HN       GLU  15 177.327 -11.820   0.420
  109    HA   GLU  15           HA       GLU  15 175.333 -12.631  -1.423
  110   1HB   GLU  15          HB2       GLU  15 175.577 -13.503   1.454
  111   2HB   GLU  15          HB1       GLU  15 174.824 -14.383   0.132
  112   1HG   GLU  15          HG2       GLU  15 177.675 -13.669  -0.179
  113   2HG   GLU  15          HG1       GLU  15 177.277 -14.908   1.011
  114    H    GLU  16           HN       GLU  16 175.247 -10.657   1.462
  115    HA   GLU  16           HA       GLU  16 172.439 -10.765   1.868
  116   1HB   GLU  16          HB2       GLU  16 174.371 -10.021   3.437
  117   2HB   GLU  16          HB1       GLU  16 174.172  -8.460   2.671
  118   1HG   GLU  16          HG2       GLU  16 171.735  -8.597   3.316
  119   2HG   GLU  16          HG1       GLU  16 172.176  -9.983   4.311
  120    H    LEU  17           HN       LEU  17 174.592  -8.458   0.282
  121    HA   LEU  17           HA       LEU  17 172.522  -6.662  -0.475
  122   1HB   LEU  17          HB2       LEU  17 175.347  -6.982  -1.488
  123   2HB   LEU  17          HB1       LEU  17 174.288  -5.648  -1.896
  124    HG   LEU  17           HG       LEU  17 175.071  -6.271   0.942
  125   1HD1  LEU  17          HD11      LEU  17 176.990  -5.100   0.781
  126   2HD1  LEU  17          HD12      LEU  17 176.347  -4.012  -0.448
  127   3HD1  LEU  17          HD13      LEU  17 176.914  -5.618  -0.903
  128   1HD2  LEU  17          HD21      LEU  17 173.070  -4.887   0.593
  129   2HD2  LEU  17          HD22      LEU  17 174.033  -3.766  -0.369
  130   3HD2  LEU  17          HD23      LEU  17 174.384  -3.982   1.345
  131    H    VAL  18           HN       VAL  18 174.164  -9.369  -1.949
  132    HA   VAL  18           HA       VAL  18 173.095  -8.995  -4.526
  133    HB   VAL  18           HB       VAL  18 175.013 -10.625  -3.537
  134   1HG1  VAL  18          1HG1      VAL  18 172.864 -12.567  -4.307
  135   2HG1  VAL  18          2HG1      VAL  18 173.170 -12.121  -2.628
  136   3HG1  VAL  18          3HG1      VAL  18 174.439 -12.891  -3.580
  137   1HG2  VAL  18          1HG2      VAL  18 173.789 -11.576  -6.047
  138   2HG2  VAL  18          2HG2      VAL  18 175.449 -11.088  -5.705
  139   3HG2  VAL  18          3HG2      VAL  18 174.207  -9.864  -5.968
  140    H    ASN  19           HN       ASN  19 172.046 -10.598  -1.638
  141    HA   ASN  19           HA       ASN  19 169.883 -12.055  -2.708
  142   1HB   ASN  19          HB2       ASN  19 170.859 -12.495  -0.482
  143   2HB   ASN  19          HB1       ASN  19 170.223 -10.955   0.091
  144   1HD2  ASN  19          HD21      ASN  19 168.131 -10.805   0.694
  145   2HD2  ASN  19          HD22      ASN  19 167.028 -12.135   0.702
  146    H    ILE  20           HN       ILE  20 169.880  -8.925  -0.927
  147    HA   ILE  20           HA       ILE  20 167.174  -8.401  -1.230
  148    HB   ILE  20           HB       ILE  20 167.750  -6.063  -0.850
  149   1HG1  ILE  20          2HG1      ILE  20 170.522  -7.042  -1.395
  150   2HG1  ILE  20          1HG1      ILE  20 169.703  -5.632  -2.070
  151   1HG2  ILE  20          1HG2      ILE  20 167.997  -8.136   0.876
  152   2HG2  ILE  20          2HG2      ILE  20 168.069  -6.435   1.337
  153   3HG2  ILE  20          3HG2      ILE  20 169.559  -7.337   1.058
  154   1HD1  ILE  20          HD11      ILE  20 171.003  -5.970   0.602
  155   2HD1  ILE  20          HD12      ILE  20 169.769  -4.736   0.348
  156   3HD1  ILE  20          HD13      ILE  20 171.247  -4.718  -0.615
  157    H    THR  21           HN       THR  21 169.891  -7.547  -3.335
  158    HA   THR  21           HA       THR  21 168.228  -6.139  -5.201
  159    HB   THR  21           HB       THR  21 170.663  -5.657  -4.810
  160    HG1  THR  21           1HG      THR  21 171.058  -5.268  -7.022
  161   1HG2  THR  21          1HG2      THR  21 171.807  -7.341  -6.738
  162   2HG2  THR  21          2HG2      THR  21 170.970  -8.385  -5.590
  163   3HG2  THR  21          3HG2      THR  21 172.183  -7.242  -5.019
  164    H    GLN  22           HN       GLN  22 169.293  -9.435  -4.834
  165    HA   GLN  22           HA       GLN  22 168.091 -10.080  -7.446
  166   1HB   GLN  22          HB2       GLN  22 170.065 -11.785  -5.937
  167   2HB   GLN  22          HB1       GLN  22 169.538 -11.972  -7.604
  168   1HG   GLN  22          HG2       GLN  22 170.632  -9.368  -7.298
  169   2HG   GLN  22          HG1       GLN  22 171.756 -10.534  -6.603
  170   1HE2  GLN  22          1HE2      GLN  22 171.994 -12.561  -8.041
  171   2HE2  GLN  22          2HE2      GLN  22 172.256 -12.247  -9.719
  172    H    ASN  23           HN       ASN  23 166.156  -9.840  -5.761
  173    HA   ASN  23           HA       ASN  23 165.494 -12.595  -4.990
  174   1HB   ASN  23          HB2       ASN  23 165.802 -10.362  -3.209
  175   2HB   ASN  23          HB1       ASN  23 164.129 -10.905  -3.184
  176   1HD2  ASN  23          HD21      ASN  23 167.440 -12.060  -2.993
  177   2HD2  ASN  23          HD22      ASN  23 167.122 -13.348  -1.893
  178    H    GLN  24           HN       GLN  24 163.625  -9.608  -4.595
  179    HA   GLN  24           HA       GLN  24 161.611 -10.751  -6.404
  180   1HB   GLN  24          HB2       GLN  24 161.450  -9.227  -3.887
  181   2HB   GLN  24          HB1       GLN  24 160.251  -8.829  -5.113
  182   1HG   GLN  24          HG2       GLN  24 160.775 -11.524  -3.893
  183   2HG   GLN  24          HG1       GLN  24 159.364 -10.502  -3.670
  184   1HE2  GLN  24          1HE2      GLN  24 159.484 -13.230  -4.613
  185   2HE2  GLN  24          2HE2      GLN  24 158.777 -13.237  -6.189
  186    H    LYS  25           HN       LYS  25 160.775  -9.563  -8.076
  187    HA   LYS  25           HA       LYS  25 162.360  -7.581  -9.252
  188   1HB   LYS  25          HB2       LYS  25 159.418  -7.974  -9.791
  189   2HB   LYS  25          HB1       LYS  25 160.640  -7.363 -10.897
  190   1HG   LYS  25          HG2       LYS  25 161.730  -9.699 -10.564
  191   2HG   LYS  25          HG1       LYS  25 160.119 -10.164 -10.014
  192   1HD   LYS  25          HD2       LYS  25 159.417  -8.904 -12.246
  193   2HD   LYS  25          HD1       LYS  25 161.054  -9.366 -12.717
  194   1HE   LYS  25          HE2       LYS  25 158.974 -11.273 -11.655
  195   2HE   LYS  25          HE1       LYS  25 159.316 -11.021 -13.366
  196   1HZ   LYS  25          HZ1       LYS  25 161.342 -11.915 -11.391
  197   2HZ   LYS  25          HZ2       LYS  25 161.516 -11.850 -13.072
  198   3HZ   LYS  25          HZ3       LYS  25 160.456 -12.968 -12.374
  199    H    ALA  26           HN       ALA  26 159.546  -7.372  -7.170
  200    HA   ALA  26           HA       ALA  26 158.910  -4.688  -7.435
  201   1HB   ALA  26          HB1       ALA  26 158.034  -6.794  -5.893
  202   2HB   ALA  26          HB2       ALA  26 157.421  -5.142  -5.833
  203   3HB   ALA  26          HB3       ALA  26 158.671  -5.661  -4.701
  204    HA   PRO  27           HA       PRO  27 161.994  -2.482  -5.167
  205   1HB   PRO  27          HB2       PRO  27 160.751  -0.651  -3.779
  206   2HB   PRO  27          HB1       PRO  27 160.492  -0.736  -5.532
  207   1HG   PRO  27          HG2       PRO  27 158.889  -1.969  -3.352
  208   2HG   PRO  27          HG1       PRO  27 158.295  -0.875  -4.617
  209   1HD   PRO  27          HD2       PRO  27 158.085  -3.557  -4.819
  210   2HD   PRO  27          HD1       PRO  27 158.427  -2.558  -6.247
  211    H    LEU  28           HN       LEU  28 162.671  -1.597  -2.925
  212    HA   LEU  28           HA       LEU  28 163.083  -3.750  -1.211
  213   1HB   LEU  28          HB2       LEU  28 164.289  -1.453  -1.400
  214   2HB   LEU  28          HB1       LEU  28 163.115  -0.931  -0.208
  215    HG   LEU  28           HG       LEU  28 165.257  -1.590   0.809
  216   1HD1  LEU  28          HD11      LEU  28 162.762  -2.135   1.702
  217   2HD1  LEU  28          HD12      LEU  28 164.233  -2.395   2.640
  218   3HD1  LEU  28          HD13      LEU  28 163.496  -3.737   1.766
  219   1HD2  LEU  28          HD21      LEU  28 165.358  -3.551  -1.037
  220   2HD2  LEU  28          HD22      LEU  28 164.768  -4.460   0.355
  221   3HD2  LEU  28          HD23      LEU  28 166.285  -3.567   0.464
  222    H    CYS  29           HN       CYS  29 160.632  -1.234  -1.141
  223    HA   CYS  29           HA       CYS  29 159.227  -2.765   0.942
  224   1HB   CYS  29          HB2       CYS  29 159.420   0.244   0.712
  225   2HB   CYS  29          HB1       CYS  29 158.368  -0.608   1.837
  226    H    ASN  30           HN       ASN  30 158.366   0.133  -0.934
  227    HA   ASN  30           HA       ASN  30 156.514  -1.323  -2.585
  228   1HB   ASN  30          HB2       ASN  30 155.455  -0.815  -0.209
  229   2HB   ASN  30          HB1       ASN  30 155.197   0.776  -0.920
  230   1HD2  ASN  30          HD21      ASN  30 154.294   0.610  -3.246
  231   2HD2  ASN  30          HD22      ASN  30 152.956  -0.467  -3.435
  232    H    GLY  31           HN       GLY  31 158.786   0.540  -2.846
  233   1HA   GLY  31          HA2       GLY  31 159.228   2.001  -4.632
  234   2HA   GLY  31          HA1       GLY  31 157.511   2.350  -4.743
  235    H    SER  32           HN       SER  32 159.002   2.484  -1.626
  236    HA   SER  32           HA       SER  32 158.296   5.218  -1.291
  237   1HB   SER  32          HB2       SER  32 160.108   3.521   0.441
  238   2HB   SER  32          HB1       SER  32 159.303   5.017   0.915
  239    HG   SER  32           HG       SER  32 158.347   2.489   0.898
  240    H    MET  33           HN       MET  33 159.351   6.794  -2.326
  241    HA   MET  33           HA       MET  33 161.821   6.722  -3.484
  242   1HB   MET  33          HB2       MET  33 160.578   9.160  -2.216
  243   2HB   MET  33          HB1       MET  33 161.733   9.124  -3.533
  244   1HG   MET  33          HG2       MET  33 159.866   7.662  -4.676
  245   2HG   MET  33          HG1       MET  33 158.839   8.537  -3.545
  246   1HE   MET  33          HE1       MET  33 161.884   8.964  -5.558
  247   2HE   MET  33          HE2       MET  33 161.921  10.693  -5.904
  248   3HE   MET  33          HE3       MET  33 161.188   9.578  -7.057
  249    H    VAL  34           HN       VAL  34 163.778   7.924  -2.917
  250    HA   VAL  34           HA       VAL  34 164.345   8.146  -0.062
  251    HB   VAL  34           HB       VAL  34 166.612   6.921  -0.667
  252   1HG1  VAL  34          1HG1      VAL  34 163.986   5.711   0.131
  253   2HG1  VAL  34          2HG1      VAL  34 165.362   6.144   1.146
  254   3HG1  VAL  34          3HG1      VAL  34 165.464   4.750   0.071
  255   1HG2  VAL  34          1HG2      VAL  34 165.063   4.981  -2.168
  256   2HG2  VAL  34          2HG2      VAL  34 166.656   5.655  -2.501
  257   3HG2  VAL  34          3HG2      VAL  34 165.213   6.514  -3.027
  258    H    TRP  35           HN       TRP  35 166.876   8.727   0.086
  259    HA   TRP  35           HA       TRP  35 167.183  11.090  -1.619
  260   1HB   TRP  35          HB2       TRP  35 167.608  10.544   1.159
  261   2HB   TRP  35          HB1       TRP  35 169.126  11.059   0.440
  262    HD1  TRP  35           HD1      TRP  35 167.094  12.701   2.504
  263    HE1  TRP  35           HE1      TRP  35 166.514  15.113   1.849
  264    HE3  TRP  35           HE3      TRP  35 168.236  12.498  -2.478
  265    HZ2  TRP  35           HZ2      TRP  35 166.528  16.727  -0.465
  266    HZ3  TRP  35           HZ3      TRP  35 167.922  14.522  -3.840
  267    HH2  TRP  35           HH2      TRP  35 167.085  16.592  -2.853
  268    H    SER  36           HN       SER  36 168.467   7.997  -1.178
  269    HA   SER  36           HA       SER  36 170.078   6.839  -2.275
  270   1HB   SER  36          HB2       SER  36 169.718   8.074  -4.287
  271   2HB   SER  36          HB1       SER  36 170.561   9.468  -3.632
  272    HG   SER  36           HG       SER  36 172.344   8.639  -4.332
  273    H    ILE  37           HN       ILE  37 172.501   6.752  -2.478
  274    HA   ILE  37           HA       ILE  37 173.636   7.869  -0.052
  275    HB   ILE  37           HB       ILE  37 175.362   5.945  -1.350
  276   1HG1  ILE  37          2HG1      ILE  37 172.469   5.171  -0.942
  277   2HG1  ILE  37          1HG1      ILE  37 173.488   4.890  -2.349
  278   1HG2  ILE  37          1HG2      ILE  37 175.126   4.868   0.847
  279   2HG2  ILE  37          2HG2      ILE  37 173.818   5.988   1.226
  280   3HG2  ILE  37          3HG2      ILE  37 175.452   6.596   0.975
  281   1HD1  ILE  37          HD11      ILE  37 174.722   3.204  -1.204
  282   2HD1  ILE  37          HD12      ILE  37 173.005   2.866  -0.981
  283   3HD1  ILE  37          HD13      ILE  37 173.938   3.595   0.328
  284    H    ASN  38           HN       ASN  38 175.733   8.683   0.030
  285    HA   ASN  38           HA       ASN  38 176.540  10.101  -2.390
  286   1HB   ASN  38          HB2       ASN  38 176.322  11.106   0.038
  287   2HB   ASN  38          HB1       ASN  38 177.923  10.404   0.256
  288   1HD2  ASN  38          HD21      ASN  38 176.299  12.094  -2.409
  289   2HD2  ASN  38          HD22      ASN  38 177.531  13.285  -2.629
  290    H    LEU  39           HN       LEU  39 176.955   7.624  -2.881
  291    HA   LEU  39           HA       LEU  39 178.961   6.068  -2.041
  292   1HB   LEU  39          HB2       LEU  39 178.574   6.647  -4.969
  293   2HB   LEU  39          HB1       LEU  39 179.133   5.154  -4.239
  294    HG   LEU  39           HG       LEU  39 176.355   6.269  -3.848
  295   1HD1  LEU  39          HD11      LEU  39 177.469   4.980  -6.132
  296   2HD1  LEU  39          HD12      LEU  39 175.818   5.530  -5.857
  297   3HD1  LEU  39          HD13      LEU  39 176.296   3.905  -5.369
  298   1HD2  LEU  39          HD21      LEU  39 177.649   4.500  -2.288
  299   2HD2  LEU  39          HD22      LEU  39 176.961   3.410  -3.491
  300   3HD2  LEU  39          HD23      LEU  39 175.907   4.475  -2.562
  301    H    THR  40           HN       THR  40 179.399   9.136  -3.594
  302    HA   THR  40           HA       THR  40 181.992   8.957  -4.543
  303    HB   THR  40           HB       THR  40 182.126  11.381  -4.239
  304    HG1  THR  40           1HG      THR  40 181.117  12.268  -2.651
  305   1HG2  THR  40          1HG2      THR  40 180.371  10.182  -5.864
  306   2HG2  THR  40          2HG2      THR  40 180.575  11.931  -5.768
  307   3HG2  THR  40          3HG2      THR  40 179.265  11.146  -4.886
  308    H    ALA  41           HN       ALA  41 180.861   9.496  -1.241
  309    HA   ALA  41           HA       ALA  41 183.152   8.396  -0.052
  310   1HB   ALA  41          HB1       ALA  41 183.770  10.758   1.032
  311   2HB   ALA  41          HB2       ALA  41 183.237  11.310  -0.556
  312   3HB   ALA  41          HB3       ALA  41 184.551  10.140  -0.424
  313    H    GLY  42           HN       GLY  42 182.878   8.080   2.144
  314   1HA   GLY  42          HA2       GLY  42 181.656   7.819   4.076
  315   2HA   GLY  42          HA1       GLY  42 181.327   9.536   3.909
  316    H    MET  43           HN       MET  43 180.328   6.993   1.705
  317    HA   MET  43           HA       MET  43 177.618   7.910   1.772
  318   1HB   MET  43          HB2       MET  43 177.223   6.395  -0.005
  319   2HB   MET  43          HB1       MET  43 178.844   7.019  -0.249
  320   1HG   MET  43          HG2       MET  43 179.391   4.890  -0.549
  321   2HG   MET  43          HG1       MET  43 179.376   4.811   1.211
  322   1HE   MET  43          HE1       MET  43 176.956   2.782   2.380
  323   2HE   MET  43          HE2       MET  43 178.653   3.249   2.271
  324   3HE   MET  43          HE3       MET  43 178.089   1.783   1.470
  325    H    TYR  44           HN       TYR  44 179.392   5.571   3.545
  326    HA   TYR  44           HA       TYR  44 177.575   3.579   4.100
  327   1HB   TYR  44          HB2       TYR  44 179.756   4.870   5.677
  328   2HB   TYR  44          HB1       TYR  44 178.672   3.762   6.508
  329    HD1  TYR  44           HD1      TYR  44 181.682   4.004   4.773
  330    HD2  TYR  44           HD2      TYR  44 178.302   1.454   5.199
  331    HE1  TYR  44           HE1      TYR  44 183.018   2.107   3.964
  332    HE2  TYR  44           HE2      TYR  44 179.630  -0.450   4.390
  333    HH   TYR  44           HH       TYR  44 181.990  -0.479   2.736
  334    H    CYS  45           HN       CYS  45 178.015   6.537   6.041
  335    HA   CYS  45           HA       CYS  45 175.779   6.150   7.680
  336   1HB   CYS  45          HB2       CYS  45 177.433   8.547   6.962
  337   2HB   CYS  45          HB1       CYS  45 175.982   8.739   7.939
  338    H    ALA  46           HN       ALA  46 175.942   7.095   4.397
  339    HA   ALA  46           HA       ALA  46 173.503   8.621   4.395
  340   1HB   ALA  46          HB1       ALA  46 175.555   7.891   2.452
  341   2HB   ALA  46          HB2       ALA  46 174.566   9.346   2.566
  342   3HB   ALA  46          HB3       ALA  46 173.922   7.902   1.789
  343    H    ALA  47           HN       ALA  47 174.503   5.365   3.450
  344    HA   ALA  47           HA       ALA  47 171.916   4.541   2.589
  345   1HB   ALA  47          HB1       ALA  47 173.784   2.467   3.528
  346   2HB   ALA  47          HB2       ALA  47 174.399   3.530   2.264
  347   3HB   ALA  47          HB3       ALA  47 172.919   2.609   1.998
  348    H    LEU  48           HN       LEU  48 173.586   4.637   5.648
  349    HA   LEU  48           HA       LEU  48 171.785   2.871   7.005
  350   1HB   LEU  48          HB2       LEU  48 174.027   3.042   7.811
  351   2HB   LEU  48          HB1       LEU  48 173.921   4.786   7.921
  352    HG   LEU  48           HG       LEU  48 172.253   4.549   9.737
  353   1HD1  LEU  48          HD11      LEU  48 172.949   1.745  10.243
  354   2HD1  LEU  48          HD12      LEU  48 171.913   2.010   8.840
  355   3HD1  LEU  48          HD13      LEU  48 171.411   2.589  10.429
  356   1HD2  LEU  48          HD21      LEU  48 174.065   3.257  11.271
  357   2HD2  LEU  48          HD22      LEU  48 174.213   4.942  10.769
  358   3HD2  LEU  48          HD23      LEU  48 175.058   3.678   9.876
  359    H    GLU  49           HN       GLU  49 172.260   6.358   6.730
  360    HA   GLU  49           HA       GLU  49 170.259   7.048   8.581
  361   1HB   GLU  49          HB2       GLU  49 170.568   9.291   7.915
  362   2HB   GLU  49          HB1       GLU  49 172.144   8.529   7.773
  363   1HG   GLU  49          HG2       GLU  49 172.271   9.229   5.688
  364   2HG   GLU  49          HG1       GLU  49 170.874   8.247   5.275
  365    H    SER  50           HN       SER  50 170.213   6.440   5.132
  366    HA   SER  50           HA       SER  50 167.499   7.363   4.815
  367   1HB   SER  50          HB2       SER  50 169.664   6.643   3.083
  368   2HB   SER  50          HB1       SER  50 168.238   5.711   2.629
  369    HG   SER  50           HG       SER  50 167.191   7.518   2.123
  370    H    LEU  51           HN       LEU  51 169.149   4.268   5.173
  371    HA   LEU  51           HA       LEU  51 166.899   2.633   4.652
  372   1HB   LEU  51          HB2       LEU  51 169.551   2.229   5.971
  373   2HB   LEU  51          HB1       LEU  51 168.325   0.987   6.112
  374    HG   LEU  51           HG       LEU  51 169.077   2.024   3.407
  375   1HD1  LEU  51          HD11      LEU  51 170.475  -0.391   4.330
  376   2HD1  LEU  51          HD12      LEU  51 171.033   1.125   5.039
  377   3HD1  LEU  51          HD13      LEU  51 171.030   0.919   3.287
  378   1HD2  LEU  51          HD21      LEU  51 168.401  -0.792   4.137
  379   2HD2  LEU  51          HD22      LEU  51 168.145   0.068   2.619
  380   3HD2  LEU  51          HD23      LEU  51 167.122   0.416   4.013
  381    H    ILE  52           HN       ILE  52 168.272   3.989   7.612
  382    HA   ILE  52           HA       ILE  52 166.541   2.667   9.413
  383    HB   ILE  52           HB       ILE  52 168.655   3.725  10.105
  384   1HG1  ILE  52          2HG1      ILE  52 166.618   3.323  11.646
  385   2HG1  ILE  52          1HG1      ILE  52 167.927   4.337  12.241
  386   1HG2  ILE  52          1HG2      ILE  52 168.427   5.735   8.669
  387   2HG2  ILE  52          2HG2      ILE  52 168.889   6.097  10.331
  388   3HG2  ILE  52          3HG2      ILE  52 167.228   6.359   9.800
  389   1HD1  ILE  52          HD11      ILE  52 166.000   5.970  10.906
  390   2HD1  ILE  52          HD12      ILE  52 166.516   5.998  12.591
  391   3HD1  ILE  52          HD13      ILE  52 165.194   4.944  12.091
  392    H    ASN  53           HN       ASN  53 166.185   5.498   7.429
  393    HA   ASN  53           HA       ASN  53 163.976   6.626   8.837
  394   1HB   ASN  53          HB2       ASN  53 165.333   7.105   6.233
  395   2HB   ASN  53          HB1       ASN  53 163.680   7.691   6.399
  396   1HD2  ASN  53          HD21      ASN  53 163.440   8.643   8.814
  397   2HD2  ASN  53          HD22      ASN  53 164.595   9.882   9.153
  398    H    VAL  54           HN       VAL  54 164.338   4.247   6.300
  399    HA   VAL  54           HA       VAL  54 161.786   4.192   5.223
  400    HB   VAL  54           HB       VAL  54 163.541   1.791   5.768
  401   1HG1  VAL  54          1HG1      VAL  54 161.092   2.228   4.130
  402   2HG1  VAL  54          2HG1      VAL  54 161.568   0.834   5.101
  403   3HG1  VAL  54          3HG1      VAL  54 162.326   1.118   3.533
  404   1HG2  VAL  54          1HG2      VAL  54 163.508   2.983   3.084
  405   2HG2  VAL  54          2HG2      VAL  54 164.852   2.339   4.025
  406   3HG2  VAL  54          3HG2      VAL  54 164.267   3.975   4.329
  407    H    SER  55           HN       SER  55 159.841   3.449   5.856
  408    HA   SER  55           HA       SER  55 159.676   1.964   8.391
  409   1HB   SER  55          HB2       SER  55 157.381   3.347   8.516
  410   2HB   SER  55          HB1       SER  55 158.886   3.949   9.209
  411    HG   SER  55           HG       SER  55 157.437   4.886   7.088
  412    H    GLY  56           HN       GLY  56 158.647   0.096   8.165
  413   1HA   GLY  56          HA2       GLY  56 156.559  -1.026   7.564
  414   2HA   GLY  56          HA1       GLY  56 156.585  -0.119   6.060
  415    H    CYS  57           HN       CYS  57 159.582  -1.386   7.204
  416    HA   CYS  57           HA       CYS  57 159.362  -3.693   5.403
  417   1HB   CYS  57          HB2       CYS  57 161.140  -1.371   5.185
  418   2HB   CYS  57          HB1       CYS  57 161.989  -2.909   5.140
  419    H    SER  58           HN       SER  58 162.056  -2.326   7.252
  420    HA   SER  58           HA       SER  58 163.323  -3.129   8.950
  421   1HB   SER  58          HB2       SER  58 160.736  -3.494   9.761
  422   2HB   SER  58          HB1       SER  58 161.392  -5.125   9.916
  423    HG   SER  58           HG       SER  58 161.740  -3.061  11.541
  424    H    ALA  59           HN       ALA  59 162.854  -4.716   6.290
  425    HA   ALA  59           HA       ALA  59 163.695  -7.377   7.081
  426   1HB   ALA  59          HB1       ALA  59 162.851  -6.074   4.555
  427   2HB   ALA  59          HB2       ALA  59 162.386  -7.632   5.238
  428   3HB   ALA  59          HB3       ALA  59 163.942  -7.454   4.426
  429    H    ILE  60           HN       ILE  60 165.041  -4.449   5.752
  430    HA   ILE  60           HA       ILE  60 167.608  -5.576   5.155
  431    HB   ILE  60           HB       ILE  60 168.211  -3.197   4.738
  432   1HG1  ILE  60          2HG1      ILE  60 165.874  -1.840   4.534
  433   2HG1  ILE  60          1HG1      ILE  60 165.556  -2.812   5.962
  434   1HG2  ILE  60          1HG2      ILE  60 166.033  -4.650   3.368
  435   2HG2  ILE  60          2HG2      ILE  60 167.620  -4.162   2.772
  436   3HG2  ILE  60          3HG2      ILE  60 166.319  -2.977   2.888
  437   1HD1  ILE  60          HD11      ILE  60 166.938  -0.404   5.825
  438   2HD1  ILE  60          HD12      ILE  60 168.164  -1.636   6.125
  439   3HD1  ILE  60          HD13      ILE  60 166.785  -1.481   7.213
  440    H    GLU  61           HN       GLU  61 166.263  -5.115   8.045
  441    HA   GLU  61           HA       GLU  61 167.687  -3.445   9.618
  442   1HB   GLU  61          HB2       GLU  61 166.406  -6.056  10.030
  443   2HB   GLU  61          HB1       GLU  61 167.621  -5.643  11.231
  444   1HG   GLU  61          HG2       GLU  61 165.782  -3.460  10.640
  445   2HG   GLU  61          HG1       GLU  61 164.994  -4.897  11.290
  446    H    LYS  62           HN       LYS  62 168.777  -6.605   8.502
  447    HA   LYS  62           HA       LYS  62 171.176  -6.756   9.919
  448   1HB   LYS  62          HB2       LYS  62 170.115  -7.974   7.425
  449   2HB   LYS  62          HB1       LYS  62 171.856  -8.043   7.661
  450   1HG   LYS  62          HG2       LYS  62 169.856  -9.005   9.691
  451   2HG   LYS  62          HG1       LYS  62 170.604 -10.040   8.473
  452   1HD   LYS  62          HD2       LYS  62 172.328  -8.373  10.255
  453   2HD   LYS  62          HD1       LYS  62 171.631  -9.874  10.871
  454   1HE   LYS  62          HE2       LYS  62 173.432  -9.542   8.478
  455   2HE   LYS  62          HE1       LYS  62 173.821 -10.339  10.002
  456   1HZ   LYS  62          HZ1       LYS  62 171.804 -11.820   9.374
  457   2HZ   LYS  62          HZ2       LYS  62 173.309 -12.107   8.656
  458   3HZ   LYS  62          HZ3       LYS  62 172.110 -11.274   7.802
  459    H    THR  63           HN       THR  63 170.430  -5.276   6.804
  460    HA   THR  63           HA       THR  63 173.088  -4.464   6.212
  461    HB   THR  63           HB       THR  63 170.390  -3.558   5.196
  462    HG1  THR  63           1HG      THR  63 172.447  -5.184   4.130
  463   1HG2  THR  63          1HG2      THR  63 173.087  -2.772   4.121
  464   2HG2  THR  63          2HG2      THR  63 171.923  -1.699   4.899
  465   3HG2  THR  63          3HG2      THR  63 171.530  -2.456   3.356
  466    H    GLN  64           HN       GLN  64 170.449  -3.075   8.036
  467    HA   GLN  64           HA       GLN  64 171.365  -0.421   8.174
  468   1HB   GLN  64          HB2       GLN  64 169.743  -2.013  10.168
  469   2HB   GLN  64          HB1       GLN  64 169.972  -0.271  10.231
  470   1HG   GLN  64          HG2       GLN  64 168.987  -0.270   7.858
  471   2HG   GLN  64          HG1       GLN  64 168.430  -1.896   8.251
  472   1HE2  GLN  64          1HE2      GLN  64 166.921   0.557   7.716
  473   2HE2  GLN  64          2HE2      GLN  64 165.920   0.806   9.102
  474    H    ARG  65           HN       ARG  65 171.648  -2.979  10.651
  475    HA   ARG  65           HA       ARG  65 173.394  -1.635  12.308
  476   1HB   ARG  65          HB2       ARG  65 173.090  -4.603  11.867
  477   2HB   ARG  65          HB1       ARG  65 173.982  -3.885  13.202
  478   1HG   ARG  65          HG2       ARG  65 171.068  -3.353  12.690
  479   2HG   ARG  65          HG1       ARG  65 171.655  -4.647  13.737
  480   1HD   ARG  65          HD2       ARG  65 172.423  -3.191  15.336
  481   2HD   ARG  65          HD1       ARG  65 172.664  -1.881  14.181
  482    HE   ARG  65           HE       ARG  65 170.279  -2.464  15.665
  483   1HH1  ARG  65          HH11      ARG  65 171.540  -0.982  12.768
  484   2HH1  ARG  65          HH12      ARG  65 170.191   0.087  12.578
  485   1HH2  ARG  65          HH21      ARG  65 168.504  -1.059  15.416
  486   2HH2  ARG  65          HH22      ARG  65 168.467   0.044  14.081
  487    H    MET  66           HN       MET  66 174.085  -3.962   9.728
  488    HA   MET  66           HA       MET  66 176.841  -4.091   9.937
  489   1HB   MET  66          HB2       MET  66 174.840  -4.614   7.852
  490   2HB   MET  66          HB1       MET  66 176.439  -4.237   7.227
  491   1HG   MET  66          HG2       MET  66 176.809  -6.062   9.334
  492   2HG   MET  66          HG1       MET  66 175.462  -6.664   8.371
  493   1HE   MET  66          HE1       MET  66 178.093  -8.933   7.492
  494   2HE   MET  66          HE2       MET  66 176.820  -8.772   6.282
  495   3HE   MET  66          HE3       MET  66 176.434  -8.604   7.995
  496    H    LEU  67           HN       LEU  67 174.826  -1.699   8.348
  497    HA   LEU  67           HA       LEU  67 176.969  -0.266   7.137
  498   1HB   LEU  67          HB2       LEU  67 174.069   0.296   7.653
  499   2HB   LEU  67          HB1       LEU  67 175.123   1.556   7.050
  500    HG   LEU  67           HG       LEU  67 174.674  -1.089   5.672
  501   1HD1  LEU  67          HD11      LEU  67 173.407   1.607   5.287
  502   2HD1  LEU  67          HD12      LEU  67 172.621   0.049   5.541
  503   3HD1  LEU  67          HD13      LEU  67 173.442   0.384   4.016
  504   1HD2  LEU  67          HD21      LEU  67 176.719  -0.375   4.895
  505   2HD2  LEU  67          HD22      LEU  67 176.312   1.332   5.071
  506   3HD2  LEU  67          HD23      LEU  67 175.623   0.393   3.746
  507    H    SER  68           HN       SER  68 175.201  -0.029  10.170
  508    HA   SER  68           HA       SER  68 176.102   2.458  11.040
  509   1HB   SER  68          HB2       SER  68 175.321   1.864  13.169
  510   2HB   SER  68          HB1       SER  68 174.345   0.866  12.092
  511    HG   SER  68           HG       SER  68 175.413  -0.171  13.990
  512    H    GLY  69           HN       GLY  69 177.501  -0.747  11.478
  513   1HA   GLY  69          HA2       GLY  69 179.635  -0.171  13.092
  514   2HA   GLY  69          HA1       GLY  69 179.662  -1.410  11.852
  515    H    PHE  70           HN       PHE  70 179.200   0.682   9.755
  516    HA   PHE  70           HA       PHE  70 181.994   1.560   9.561
  517   1HB   PHE  70          HB2       PHE  70 179.884   0.904   7.536
  518   2HB   PHE  70          HB1       PHE  70 181.219   1.962   7.092
  519    HD1  PHE  70           HD1      PHE  70 180.479  -1.384   8.526
  520    HD2  PHE  70           HD2      PHE  70 183.246   1.063   6.414
  521    HE1  PHE  70           HE1      PHE  70 181.890  -3.354   8.100
  522    HE2  PHE  70           HE2      PHE  70 184.662  -0.902   5.984
  523    HZ   PHE  70           HZ       PHE  70 183.984  -3.115   6.827
  524    H    CYS  71           HN       CYS  71 178.744   2.720   9.805
  525    HA   CYS  71           HA       CYS  71 178.701   5.183   8.688
  526   1HB   CYS  71          HB2       CYS  71 176.983   3.995  10.221
  527   2HB   CYS  71          HB1       CYS  71 177.783   4.853  11.529
  528    HA   PRO  72           HA       PRO  72 182.526   6.885  10.521
  529   1HB   PRO  72          HB2       PRO  72 182.122   9.310   9.179
  530   2HB   PRO  72          HB1       PRO  72 183.132   7.971   8.630
  531   1HG   PRO  72          HG2       PRO  72 180.343   8.681   7.862
  532   2HG   PRO  72          HG1       PRO  72 181.641   7.987   6.874
  533   1HD   PRO  72          HD2       PRO  72 179.614   6.482   7.749
  534   2HD   PRO  72          HD1       PRO  72 181.268   5.837   7.673
  535    H    HIS  73           HN       HIS  73 179.809   9.073   9.936
  536    HA   HIS  73           HA       HIS  73 180.178  10.213  12.604
  537   1HB   HIS  73          HB2       HIS  73 178.360  11.182  10.391
  538   2HB   HIS  73          HB1       HIS  73 178.811  12.057  11.850
  539    HD1  HIS  73           HD1      HIS  73 179.667  11.782   8.385
  540    HD2  HIS  73           HD2      HIS  73 181.769  12.553  11.886
  541    HE1  HIS  73           HE1      HIS  73 181.817  12.864   7.654
  542    HE2  HIS  73           HE2      HIS  73 183.109  13.242   9.784
  543    H    LYS  74           HN       LYS  74 177.972  10.969  13.602
  544    HA   LYS  74           HA       LYS  74 176.426   8.547  13.999
  545   1HB   LYS  74          HB2       LYS  74 176.779  11.119  15.434
  546   2HB   LYS  74          HB1       LYS  74 175.221  10.326  15.617
  547   1HG   LYS  74          HG2       LYS  74 177.888   9.051  16.187
  548   2HG   LYS  74          HG1       LYS  74 176.805   9.739  17.398
  549   1HD   LYS  74          HD2       LYS  74 175.516   7.811  15.613
  550   2HD   LYS  74          HD1       LYS  74 176.820   7.124  16.585
  551   1HE   LYS  74          HE2       LYS  74 174.502   8.723  17.667
  552   2HE   LYS  74          HE1       LYS  74 174.614   6.963  17.684
  553   1HZ   LYS  74          HZ1       LYS  74 176.233   8.922  19.190
  554   2HZ   LYS  74          HZ2       LYS  74 176.778   7.339  18.946
  555   3HZ   LYS  74          HZ3       LYS  74 175.334   7.616  19.782
  556    H    VAL  75           HN       VAL  75 174.395   8.182  13.302
  557    HA   VAL  75           HA       VAL  75 172.618  10.272  12.525
  558    HB   VAL  75           HB       VAL  75 174.027  10.249  10.525
  559   1HG1  VAL  75          1HG1      VAL  75 173.173   7.616   9.584
  560   2HG1  VAL  75          2HG1      VAL  75 174.282   7.566  10.954
  561   3HG1  VAL  75          3HG1      VAL  75 174.745   8.407   9.475
  562   1HG2  VAL  75          1HG2      VAL  75 172.297  10.151   8.923
  563   2HG2  VAL  75          2HG2      VAL  75 171.518  10.594  10.442
  564   3HG2  VAL  75          3HG2      VAL  75 171.407   8.939   9.844
  565    H    SER  76           HN       SER  76 171.102   9.321  13.831
  566    HA   SER  76           HA       SER  76 170.210   6.636  13.195
  567   1HB   SER  76          HB2       SER  76 171.064   7.030  15.506
  568   2HB   SER  76          HB1       SER  76 169.791   8.233  15.707
  569    HG   SER  76           HG       SER  76 169.270   5.549  14.974
  570    H    ALA  77           HN       ALA  77 168.082   7.546  14.921
  571    HA   ALA  77           HA       ALA  77 166.199   8.298  12.854
  572   1HB   ALA  77          HB1       ALA  77 164.594   7.363  14.124
  573   2HB   ALA  77          HB2       ALA  77 165.203   8.084  15.614
  574   3HB   ALA  77          HB3       ALA  77 165.959   6.629  14.965
  575    H    GLY  78           HN       GLY  78 167.697  10.404  12.949
  576   1HA   GLY  78          HA2       GLY  78 165.982  12.447  14.052
  577   2HA   GLY  78          HA1       GLY  78 167.571  12.377  14.791
  578    H    GLN  79           HN       GLN  79 169.082  11.725  12.545
  579    HA   GLN  79           HA       GLN  79 170.362  12.885  11.044
  580   1HB   GLN  79          HB2       GLN  79 169.030  13.608   9.013
  581   2HB   GLN  79          HB1       GLN  79 168.862  11.925   9.491
  582   1HG   GLN  79          HG2       GLN  79 166.726  12.385  10.512
  583   2HG   GLN  79          HG1       GLN  79 166.904  14.106  10.173
  584   1HE2  GLN  79          1HE2      GLN  79 166.858  14.798   7.979
  585   2HE2  GLN  79          2HE2      GLN  79 166.041  13.861   6.780
  586    H    PHE  80           HN       PHE  80 171.139  14.594  12.283
  587    HA   PHE  80           HA       PHE  80 169.973  17.191  11.597
  588   1HB   PHE  80          HB2       PHE  80 170.607  17.884  14.024
  589   2HB   PHE  80          HB1       PHE  80 169.093  17.031  13.744
  590    HD1  PHE  80           HD1      PHE  80 172.102  17.097  15.600
  591    HD2  PHE  80           HD2      PHE  80 169.150  14.465  14.030
  592    HE1  PHE  80           HE1      PHE  80 172.777  15.377  17.225
  593    HE2  PHE  80           HE2      PHE  80 169.818  12.740  15.653
  594    HZ   PHE  80           HZ       PHE  80 171.634  13.196  17.254
  595    H    SER  81           HN       SER  81 171.927  16.651  10.118
  596    HA   SER  81           HA       SER  81 174.435  17.480  11.406
  597   1HB   SER  81          HB2       SER  81 174.127  15.341   9.869
  598   2HB   SER  81          HB1       SER  81 174.353  16.520   8.578
  599    HG   SER  81           HG       SER  81 176.124  15.904  10.702
  600    H    SER  82           HN       SER  82 172.109  18.330   8.947
  601    HA   SER  82           HA       SER  82 172.797  21.044   8.953
  602   1HB   SER  82          HB2       SER  82 174.063  21.387   7.037
  603   2HB   SER  82          HB1       SER  82 174.753  19.884   7.646
  604    HG   SER  82           HG       SER  82 173.681  20.304   5.288
  605    H    LEU  83           HN       LEU  83 171.557  18.424   6.953
  606    HA   LEU  83           HA       LEU  83 169.736  18.263   5.579
  607   1HB   LEU  83          HB2       LEU  83 168.500  19.931   7.767
  608   2HB   LEU  83          HB1       LEU  83 167.637  18.911   6.632
  609    HG   LEU  83           HG       LEU  83 169.186  17.032   7.685
  610   1HD1  LEU  83          HD11      LEU  83 169.949  19.181   9.227
  611   2HD1  LEU  83          HD12      LEU  83 170.175  17.480   9.631
  612   3HD1  LEU  83          HD13      LEU  83 168.769  18.351  10.242
  613   1HD2  LEU  83          HD21      LEU  83 166.854  16.780   7.728
  614   2HD2  LEU  83          HD22      LEU  83 166.635  18.184   8.772
  615   3HD2  LEU  83          HD23      LEU  83 167.348  16.707   9.419
  616    H    HIS  84           HN       HIS  84 170.318  19.413   3.755
  617    HA   HIS  84           HA       HIS  84 169.192  22.124   3.577
  618   1HB   HIS  84          HB2       HIS  84 171.823  21.110   2.521
  619   2HB   HIS  84          HB1       HIS  84 171.053  22.556   1.876
  620    HD1  HIS  84           HD1      HIS  84 170.042  23.396   4.864
  621    HD2  HIS  84           HD2      HIS  84 173.924  22.647   3.585
  622    HE1  HIS  84           HE1      HIS  84 171.530  24.621   6.479
  623    HE2  HIS  84           HE2      HIS  84 173.877  24.082   5.736
  624    H    VAL  85           HN       VAL  85 170.746  20.194   1.077
  625    HA   VAL  85           HA       VAL  85 168.440  19.117  -0.089
  626    HB   VAL  85           HB       VAL  85 167.862  21.467  -0.490
  627   1HG1  VAL  85          1HG1      VAL  85 169.210  23.004  -1.444
  628   2HG1  VAL  85          2HG1      VAL  85 169.961  21.833  -2.528
  629   3HG1  VAL  85          3HG1      VAL  85 170.480  21.937  -0.846
  630   1HG2  VAL  85          1HG2      VAL  85 166.936  19.987  -2.056
  631   2HG2  VAL  85          2HG2      VAL  85 168.485  19.732  -2.860
  632   3HG2  VAL  85          3HG2      VAL  85 167.648  21.275  -3.028
  633    H    ARG  86           HN       ARG  86 169.607  17.338  -0.601
  634    HA   ARG  86           HA       ARG  86 172.211  17.313  -1.643
  635   1HB   ARG  86          HB2       ARG  86 170.040  15.230  -1.951
  636   2HB   ARG  86          HB1       ARG  86 171.756  14.967  -2.232
  637   1HG   ARG  86          HG2       ARG  86 170.718  15.897   0.423
  638   2HG   ARG  86          HG1       ARG  86 170.783  14.187  -0.011
  639   1HD   ARG  86          HD2       ARG  86 172.846  14.305   0.886
  640   2HD   ARG  86          HD1       ARG  86 173.276  14.956  -0.695
  641    HE   ARG  86           HE       ARG  86 172.563  17.158   0.699
  642   1HH1  ARG  86          HH11      ARG  86 174.776  14.541   1.356
  643   2HH1  ARG  86          HH12      ARG  86 175.841  15.515   2.311
  644   1HH2  ARG  86          HH21      ARG  86 173.963  18.442   1.954
  645   2HH2  ARG  86          HH22      ARG  86 175.380  17.730   2.651
  646    H    ASP  87           HN       ASP  87 169.287  16.336  -3.430
  647    HA   ASP  87           HA       ASP  87 169.674  18.066  -5.604
  648   1HB   ASP  87          HB2       ASP  87 171.178  15.534  -5.678
  649   2HB   ASP  87          HB1       ASP  87 170.237  15.876  -7.127
  650    H    THR  88           HN       THR  88 168.978  14.649  -6.059
  651    HA   THR  88           HA       THR  88 166.105  15.244  -6.102
  652    HB   THR  88           HB       THR  88 166.463  13.374  -8.135
  653    HG1  THR  88           1HG      THR  88 168.372  15.453  -8.398
  654   1HG2  THR  88          1HG2      THR  88 166.324  16.283  -8.767
  655   2HG2  THR  88          2HG2      THR  88 164.974  15.479  -7.966
  656   3HG2  THR  88          3HG2      THR  88 165.519  14.922  -9.549
  657    H    LYS  89           HN       LYS  89 164.733  13.376  -5.863
  658    HA   LYS  89           HA       LYS  89 165.855  11.446  -4.043
  659   1HB   LYS  89          HB2       LYS  89 163.156  12.278  -4.903
  660   2HB   LYS  89          HB1       LYS  89 163.309  10.582  -4.465
  661   1HG   LYS  89          HG2       LYS  89 163.549  11.032  -2.280
  662   2HG   LYS  89          HG1       LYS  89 164.536  12.465  -2.576
  663   1HD   LYS  89          HD2       LYS  89 162.470  13.677  -3.246
  664   2HD   LYS  89          HD1       LYS  89 161.533  12.255  -2.781
  665   1HE   LYS  89          HE2       LYS  89 162.169  12.475  -0.505
  666   2HE   LYS  89          HE1       LYS  89 163.398  13.678  -0.895
  667   1HZ   LYS  89          HZ1       LYS  89 161.215  14.501   0.074
  668   2HZ   LYS  89          HZ2       LYS  89 160.533  14.165  -1.437
  669   3HZ   LYS  89          HZ3       LYS  89 161.787  15.292  -1.308
  670    H    ILE  90           HN       ILE  90 165.297   9.081  -4.319
  671    HA   ILE  90           HA       ILE  90 165.406   8.265  -7.138
  672    HB   ILE  90           HB       ILE  90 167.224   6.839  -6.877
  673   1HG1  ILE  90          2HG1      ILE  90 167.103   7.173  -3.870
  674   2HG1  ILE  90          1HG1      ILE  90 166.435   5.797  -4.741
  675   1HG2  ILE  90          1HG2      ILE  90 168.114   8.955  -4.962
  676   2HG2  ILE  90          2HG2      ILE  90 167.684   9.372  -6.623
  677   3HG2  ILE  90          3HG2      ILE  90 168.988   8.225  -6.310
  678   1HD1  ILE  90          HD11      ILE  90 169.092   6.065  -5.600
  679   2HD1  ILE  90          HD12      ILE  90 168.395   4.803  -4.586
  680   3HD1  ILE  90          HD13      ILE  90 169.102   6.238  -3.846
  681    H    GLU  91           HN       GLU  91 165.302   5.701  -7.167
  682    HA   GLU  91           HA       GLU  91 162.813   5.047  -5.823
  683   1HB   GLU  91          HB2       GLU  91 164.371   3.925  -8.100
  684   2HB   GLU  91          HB1       GLU  91 163.311   2.831  -7.221
  685   1HG   GLU  91          HG2       GLU  91 162.287   5.455  -8.218
  686   2HG   GLU  91          HG1       GLU  91 162.418   4.070  -9.301
  687    H    VAL  92           HN       VAL  92 162.566   3.599  -4.217
  688    HA   VAL  92           HA       VAL  92 164.557   3.003  -2.436
  689    HB   VAL  92           HB       VAL  92 162.859   0.778  -2.221
  690   1HG1  VAL  92          1HG1      VAL  92 163.223   3.382  -0.858
  691   2HG1  VAL  92          2HG1      VAL  92 163.365   1.740  -0.231
  692   3HG1  VAL  92          3HG1      VAL  92 161.772   2.457  -0.472
  693   1HG2  VAL  92          1HG2      VAL  92 161.220   3.221  -2.889
  694   2HG2  VAL  92          2HG2      VAL  92 160.625   1.628  -2.418
  695   3HG2  VAL  92          3HG2      VAL  92 161.437   1.843  -3.968
  696    H    ALA  93           HN       ALA  93 163.413   0.890  -5.065
  697    HA   ALA  93           HA       ALA  93 165.061  -1.301  -4.543
  698   1HB   ALA  93          HB1       ALA  93 164.869  -1.342  -7.261
  699   2HB   ALA  93          HB2       ALA  93 163.500  -0.320  -6.822
  700   3HB   ALA  93          HB3       ALA  93 163.637  -1.946  -6.154
  701    H    GLN  94           HN       GLN  94 165.626   1.481  -6.684
  702    HA   GLN  94           HA       GLN  94 168.194   0.747  -7.538
  703   1HB   GLN  94          HB2       GLN  94 166.438   2.895  -7.954
  704   2HB   GLN  94          HB1       GLN  94 167.901   3.619  -7.301
  705   1HG   GLN  94          HG2       GLN  94 167.979   1.679  -9.583
  706   2HG   GLN  94          HG1       GLN  94 167.709   3.404  -9.828
  707   1HE2  GLN  94          1HE2      GLN  94 169.951   1.052  -8.472
  708   2HE2  GLN  94          2HE2      GLN  94 171.371   2.016  -8.671
  709    H    PHE  95           HN       PHE  95 167.033   2.325  -4.655
  710    HA   PHE  95           HA       PHE  95 169.454   3.380  -3.708
  711   1HB   PHE  95          HB2       PHE  95 167.143   3.862  -2.813
  712   2HB   PHE  95          HB1       PHE  95 167.211   2.300  -2.005
  713    HD1  PHE  95           HD1      PHE  95 168.713   1.933  -0.130
  714    HD2  PHE  95           HD2      PHE  95 168.464   5.717  -2.053
  715    HE1  PHE  95           HE1      PHE  95 169.885   2.971   1.768
  716    HE2  PHE  95           HE2      PHE  95 169.630   6.764  -0.165
  717    HZ   PHE  95           HZ       PHE  95 170.346   5.391   1.752
  718    H    VAL  96           HN       VAL  96 167.840   0.324  -2.994
  719    HA   VAL  96           HA       VAL  96 169.776  -0.759  -1.302
  720    HB   VAL  96           HB       VAL  96 168.027  -2.302  -3.226
  721   1HG1  VAL  96          1HG1      VAL  96 169.786  -3.647  -2.224
  722   2HG1  VAL  96          2HG1      VAL  96 168.214  -4.096  -1.564
  723   3HG1  VAL  96          3HG1      VAL  96 169.314  -3.094  -0.618
  724   1HG2  VAL  96          1HG2      VAL  96 166.232  -1.983  -1.906
  725   2HG2  VAL  96          2HG2      VAL  96 167.103  -0.542  -1.379
  726   3HG2  VAL  96          3HG2      VAL  96 167.187  -2.022  -0.424
  727    H    LYS  97           HN       LYS  97 169.287  -1.404  -4.771
  728    HA   LYS  97           HA       LYS  97 171.514  -2.941  -5.264
  729   1HB   LYS  97          HB2       LYS  97 170.094  -0.926  -6.996
  730   2HB   LYS  97          HB1       LYS  97 171.426  -1.900  -7.602
  731   1HG   LYS  97          HG2       LYS  97 170.135  -3.693  -7.858
  732   2HG   LYS  97          HG1       LYS  97 169.403  -3.497  -6.265
  733   1HD   LYS  97          HD2       LYS  97 168.096  -1.554  -7.370
  734   2HD   LYS  97          HD1       LYS  97 168.566  -2.318  -8.889
  735   1HE   LYS  97          HE2       LYS  97 166.441  -3.194  -8.355
  736   2HE   LYS  97          HE1       LYS  97 167.600  -4.462  -7.960
  737   1HZ   LYS  97          HZ1       LYS  97 166.343  -2.590  -6.026
  738   2HZ   LYS  97          HZ2       LYS  97 167.481  -3.779  -5.635
  739   3HZ   LYS  97          HZ3       LYS  97 165.958  -4.227  -6.219
  740    H    ASP  98           HN       ASP  98 171.316   0.581  -4.980
  741    HA   ASP  98           HA       ASP  98 173.947   1.080  -5.856
  742   1HB   ASP  98          HB2       ASP  98 171.837   2.668  -4.540
  743   2HB   ASP  98          HB1       ASP  98 173.488   3.255  -4.368
  744    H    LEU  99           HN       LEU  99 172.527   0.453  -2.850
  745    HA   LEU  99           HA       LEU  99 174.704   0.992  -1.167
  746   1HB   LEU  99          HB2       LEU  99 172.896   0.704   0.115
  747   2HB   LEU  99          HB1       LEU  99 172.093  -0.160  -1.188
  748    HG   LEU  99           HG       LEU  99 174.023  -1.880   0.118
  749   1HD1  LEU  99          HD11      LEU  99 171.833  -1.080   1.973
  750   2HD1  LEU  99          HD12      LEU  99 173.346  -0.176   1.966
  751   3HD1  LEU  99          HD13      LEU  99 173.354  -1.904   2.315
  752   1HD2  LEU  99          HD21      LEU  99 171.860  -3.173   0.540
  753   2HD2  LEU  99          HD22      LEU  99 172.315  -2.870  -1.137
  754   3HD2  LEU  99          HD23      LEU  99 171.065  -1.890  -0.371
  755    H    LEU 100           HN       LEU 100 173.730  -1.746  -3.119
  756    HA   LEU 100           HA       LEU 100 175.690  -3.590  -2.160
  757   1HB   LEU 100          HB2       LEU 100 173.772  -4.515  -3.217
  758   2HB   LEU 100          HB1       LEU 100 173.939  -3.464  -4.606
  759    HG   LEU 100           HG       LEU 100 175.922  -4.688  -5.331
  760   1HD1  LEU 100          HD11      LEU 100 177.029  -6.200  -4.101
  761   2HD1  LEU 100          HD12      LEU 100 175.549  -6.907  -3.453
  762   3HD1  LEU 100          HD13      LEU 100 176.208  -5.434  -2.741
  763   1HD2  LEU 100          HD21      LEU 100 173.328  -5.525  -5.502
  764   2HD2  LEU 100          HD22      LEU 100 174.145  -6.963  -4.890
  765   3HD2  LEU 100          HD23      LEU 100 174.683  -6.216  -6.393
  766    H    LEU 101           HN       LEU 101 175.464  -1.203  -4.686
  767    HA   LEU 101           HA       LEU 101 177.672  -1.793  -6.257
  768   1HB   LEU 101          HB2       LEU 101 176.207  -0.155  -7.038
  769   2HB   LEU 101          HB1       LEU 101 176.209   0.715  -5.541
  770    HG   LEU 101           HG       LEU 101 177.394   1.663  -7.688
  771   1HD1  LEU 101          HD11      LEU 101 177.356   2.338  -5.075
  772   2HD1  LEU 101          HD12      LEU 101 178.227   3.234  -6.320
  773   3HD1  LEU 101          HD13      LEU 101 179.083   2.067  -5.316
  774   1HD2  LEU 101          HD21      LEU 101 179.854   0.563  -6.493
  775   2HD2  LEU 101          HD22      LEU 101 179.489   0.979  -8.168
  776   3HD2  LEU 101          HD23      LEU 101 178.905  -0.541  -7.488
  777    H    HIS 102           HN       HIS 102 177.544   0.779  -3.871
  778    HA   HIS 102           HA       HIS 102 180.351   1.086  -3.722
  779   1HB   HIS 102          HB2       HIS 102 178.859   2.902  -3.131
  780   2HB   HIS 102          HB1       HIS 102 178.197   1.970  -1.792
  781    HD2  HIS 102           HD2      HIS 102 179.816   1.790   0.472
  782    HE1  HIS 102           HE1      HIS 102 182.602   4.671  -0.888
  783    HE2  HIS 102           HE2      HIS 102 181.711   3.433   1.137
  784    H    LEU 103           HN       LEU 103 178.115  -0.610  -1.510
  785    HA   LEU 103           HA       LEU 103 179.964  -1.239   0.454
  786   1HB   LEU 103          HB2       LEU 103 177.495  -2.626  -0.520
  787   2HB   LEU 103          HB1       LEU 103 178.427  -3.244   0.821
  788    HG   LEU 103           HG       LEU 103 177.262  -0.469   0.759
  789   1HD1  LEU 103          HD11      LEU 103 176.104  -2.594   2.465
  790   2HD1  LEU 103          HD12      LEU 103 175.701  -2.610   0.749
  791   3HD1  LEU 103          HD13      LEU 103 175.342  -1.187   1.724
  792   1HD2  LEU 103          HD21      LEU 103 179.256  -1.402   2.312
  793   2HD2  LEU 103          HD22      LEU 103 177.858  -1.863   3.283
  794   3HD2  LEU 103          HD23      LEU 103 178.099  -0.176   2.829
  795    H    LYS 104           HN       LYS 104 179.020  -3.224  -2.371
  796    HA   LYS 104           HA       LYS 104 180.836  -5.305  -1.821
  797   1HB   LYS 104          HB2       LYS 104 180.234  -6.216  -3.877
  798   2HB   LYS 104          HB1       LYS 104 178.820  -5.269  -3.443
  799   1HG   LYS 104          HG2       LYS 104 180.036  -3.417  -4.860
  800   2HG   LYS 104          HG1       LYS 104 180.827  -4.815  -5.587
  801   1HD   LYS 104          HD2       LYS 104 177.867  -4.840  -5.265
  802   2HD   LYS 104          HD1       LYS 104 178.571  -3.866  -6.558
  803   1HE   LYS 104          HE2       LYS 104 179.214  -6.778  -6.136
  804   2HE   LYS 104          HE1       LYS 104 177.918  -6.217  -7.191
  805   1HZ   LYS 104          HZ1       LYS 104 179.844  -4.779  -8.186
  806   2HZ   LYS 104          HZ2       LYS 104 179.629  -6.386  -8.668
  807   3HZ   LYS 104          HZ3       LYS 104 180.820  -5.997  -7.533
  808    H    LYS 105           HN       LYS 105 181.152  -2.336  -3.743
  809    HA   LYS 105           HA       LYS 105 183.663  -2.947  -4.854
  810   1HB   LYS 105          HB2       LYS 105 181.868  -0.689  -4.720
  811   2HB   LYS 105          HB1       LYS 105 183.536  -0.161  -4.541
  812   1HG   LYS 105          HG2       LYS 105 184.028  -0.603  -6.679
  813   2HG   LYS 105          HG1       LYS 105 183.134  -2.126  -6.655
  814   1HD   LYS 105          HD2       LYS 105 181.051  -0.966  -6.969
  815   2HD   LYS 105          HD1       LYS 105 181.861   0.598  -6.850
  816   1HE   LYS 105          HE2       LYS 105 181.525   0.218  -9.156
  817   2HE   LYS 105          HE1       LYS 105 183.231  -0.111  -8.856
  818   1HZ   LYS 105          HZ1       LYS 105 181.387  -2.365  -8.670
  819   2HZ   LYS 105          HZ2       LYS 105 182.972  -2.310  -9.257
  820   3HZ   LYS 105          HZ3       LYS 105 181.696  -1.754 -10.218
  821    H    LEU 106           HN       LEU 106 182.712  -1.788  -1.724
  822    HA   LEU 106           HA       LEU 106 185.348  -0.902  -0.982
  823   1HB   LEU 106          HB2       LEU 106 182.672  -0.930   0.237
  824   2HB   LEU 106          HB1       LEU 106 184.004  -1.090   1.366
  825    HG   LEU 106           HG       LEU 106 184.978   1.002   0.487
  826   1HD1  LEU 106          HD11      LEU 106 182.402   1.362  -1.018
  827   2HD1  LEU 106          HD12      LEU 106 183.883   0.772  -1.771
  828   3HD1  LEU 106          HD13      LEU 106 183.839   2.383  -1.055
  829   1HD2  LEU 106          HD21      LEU 106 183.425   2.493   1.556
  830   2HD2  LEU 106          HD22      LEU 106 183.460   0.970   2.444
  831   3HD2  LEU 106          HD23      LEU 106 182.114   1.328   1.364
  832    H    PHE 107           HN       PHE 107 183.197  -3.413   0.276
  833    HA   PHE 107           HA       PHE 107 185.090  -4.722   1.842
  834   1HB   PHE 107          HB2       PHE 107 182.415  -5.070   1.382
  835   2HB   PHE 107          HB1       PHE 107 183.085  -6.498   0.601
  836    HD1  PHE 107           HD1      PHE 107 181.316  -6.210   3.148
  837    HD2  PHE 107           HD2      PHE 107 185.489  -6.743   2.517
  838    HE1  PHE 107           HE1      PHE 107 181.508  -7.294   5.349
  839    HE2  PHE 107           HE2      PHE 107 185.688  -7.828   4.715
  840    HZ   PHE 107           HZ       PHE 107 183.695  -8.101   6.133
  841    H    ARG 108           HN       ARG 108 184.603  -4.749  -1.575
  842    HA   ARG 108           HA       ARG 108 186.189  -7.146  -1.989
  843   1HB   ARG 108          HB2       ARG 108 184.230  -6.534  -3.438
  844   2HB   ARG 108          HB1       ARG 108 185.177  -5.186  -4.052
  845   1HG   ARG 108          HG2       ARG 108 186.187  -8.002  -4.208
  846   2HG   ARG 108          HG1       ARG 108 185.103  -7.335  -5.431
  847   1HD   ARG 108          HD2       ARG 108 186.859  -5.368  -5.416
  848   2HD   ARG 108          HD1       ARG 108 187.925  -6.628  -4.794
  849    HE   ARG 108           HE       ARG 108 187.035  -6.325  -7.473
  850   1HH1  ARG 108          HH11      ARG 108 187.827  -8.739  -5.081
  851   2HH1  ARG 108          HH12      ARG 108 188.262  -9.938  -6.253
  852   1HH2  ARG 108          HH21      ARG 108 187.606  -7.900  -9.016
  853   2HH2  ARG 108          HH22      ARG 108 188.137  -9.461  -8.487
  854    H    GLU 109           HN       GLU 109 186.493  -3.650  -2.541
  855    HA   GLU 109           HA       GLU 109 189.037  -3.730  -3.743
  856   1HB   GLU 109          HB2       GLU 109 187.437  -1.616  -2.356
  857   2HB   GLU 109          HB1       GLU 109 189.120  -1.298  -2.754
  858   1HG   GLU 109          HG2       GLU 109 187.474  -2.393  -4.934
  859   2HG   GLU 109          HG1       GLU 109 187.059  -0.767  -4.393
  860    H    GLY 110           HN       GLY 110 188.024  -3.905  -0.421
  861   1HA   GLY 110          HA2       GLY 110 189.554  -4.951   1.151
  862   2HA   GLY 110          HA1       GLY 110 190.860  -4.084   0.364
  863    H    ARG 111           HN       ARG 111 187.721  -2.893   1.424
  864    HA   ARG 111           HA       ARG 111 187.319  -0.825   2.388
  865   1HB   ARG 111          HB2       ARG 111 188.424  -2.101   4.809
  866   2HB   ARG 111          HB1       ARG 111 186.856  -1.374   4.529
  867   1HG   ARG 111          HG2       ARG 111 186.110  -3.324   3.333
  868   2HG   ARG 111          HG1       ARG 111 187.713  -4.051   3.472
  869   1HD   ARG 111          HD2       ARG 111 185.833  -3.394   5.737
  870   2HD   ARG 111          HD1       ARG 111 186.211  -5.002   5.123
  871    HE   ARG 111           HE       ARG 111 188.633  -4.000   5.825
  872   1HH1  ARG 111          HH11      ARG 111 185.595  -4.364   7.503
  873   2HH1  ARG 111          HH12      ARG 111 186.333  -4.554   9.058
  874   1HH2  ARG 111          HH21      ARG 111 189.606  -4.249   7.869
  875   2HH2  ARG 111          HH22      ARG 111 188.611  -4.488   9.266
  876    H    PHE 112           HN       PHE 112 189.629  -0.331   1.139
  877    HA   PHE 112           HA       PHE 112 191.676   0.565   2.946
  878   1HB   PHE 112          HB2       PHE 112 192.941   0.834   1.072
  879   2HB   PHE 112          HB1       PHE 112 191.715  -0.222   0.388
  880    HD1  PHE 112           HD1      PHE 112 190.279   0.505  -1.320
  881    HD2  PHE 112           HD2      PHE 112 192.793   3.275   0.695
  882    HE1  PHE 112           HE1      PHE 112 189.751   2.210  -3.021
  883    HE2  PHE 112           HE2      PHE 112 192.275   4.991  -0.998
  884    HZ   PHE 112           HZ       PHE 112 190.750   4.457  -2.859
  885    H    ASN 113           HN       ASN 113 189.043   1.955   1.113
  886    HA   ASN 113           HA       ASN 113 189.721   4.672   1.822
  887   1HB   ASN 113          HB2       ASN 113 187.648   5.266   0.641
  888   2HB   ASN 113          HB1       ASN 113 188.655   4.199  -0.333
  889   1HD2  ASN 113          HD21      ASN 113 185.586   4.788   0.657
  890   2HD2  ASN 113          HD22      ASN 113 184.897   3.222   0.417
  Start of MODEL    6
    1   1H    GLY   1          HT1       GLY   1 198.464 -13.213   6.550
    2   2H    GLY   1          HT2       GLY   1 198.265 -14.737   7.256
    3   3H    GLY   1          HT3       GLY   1 199.545 -14.463   6.185
    4   1HA   GLY   1          HA1       GLY   1 199.240 -13.620   8.980
    5   2HA   GLY   1          HA2       GLY   1 200.632 -14.339   8.185
    6    H    GLY   2           HN       GLY   2 201.585 -12.472   9.496
    7   1HA   GLY   2          HA2       GLY   2 203.031 -10.674   8.871
    8   2HA   GLY   2          HA1       GLY   2 201.853 -10.191   7.660
    9    HA   PRO   3           HA       PRO   3 201.301  -7.235  11.134
   10   1HB   PRO   3          HB2       PRO   3 200.537  -5.158   9.560
   11   2HB   PRO   3          HB1       PRO   3 202.231  -5.562   9.864
   12   1HG   PRO   3          HG2       PRO   3 200.519  -6.228   7.500
   13   2HG   PRO   3          HG1       PRO   3 202.198  -5.659   7.540
   14   1HD   PRO   3          HD2       PRO   3 201.554  -8.262   7.174
   15   2HD   PRO   3          HD1       PRO   3 203.029  -7.756   8.023
   16    H    VAL   4           HN       VAL   4 199.221  -8.141   8.467
   17    HA   VAL   4           HA       VAL   4 196.958  -8.231   8.212
   18    HB   VAL   4           HB       VAL   4 197.075  -8.707  11.191
   19   1HG1  VAL   4          1HG1      VAL   4 194.909  -9.101   9.155
   20   2HG1  VAL   4          2HG1      VAL   4 194.821  -8.316  10.732
   21   3HG1  VAL   4          3HG1      VAL   4 194.967 -10.071  10.626
   22   1HG2  VAL   4          1HG2      VAL   4 197.244 -11.033  10.700
   23   2HG2  VAL   4          2HG2      VAL   4 198.495 -10.205   9.773
   24   3HG2  VAL   4          3HG2      VAL   4 197.018 -10.744   8.975
   25    HA   PRO   5           HA       PRO   5 196.215  -3.861   9.459
   26   1HB   PRO   5          HB2       PRO   5 194.958  -3.177   7.150
   27   2HB   PRO   5          HB1       PRO   5 196.716  -3.162   7.329
   28   1HG   PRO   5          HG2       PRO   5 194.956  -5.244   6.092
   29   2HG   PRO   5          HG1       PRO   5 196.504  -4.600   5.513
   30   1HD   PRO   5          HD2       PRO   5 196.307  -6.974   6.794
   31   2HD   PRO   5          HD1       PRO   5 197.734  -5.928   6.943
   32    HA   PRO   6           HA       PRO   6 191.983  -4.174  10.663
   33   1HB   PRO   6          HB2       PRO   6 190.971  -1.698  10.188
   34   2HB   PRO   6          HB1       PRO   6 192.103  -2.038  11.502
   35   1HG   PRO   6          HG2       PRO   6 192.635  -0.868   8.799
   36   2HG   PRO   6          HG1       PRO   6 193.272  -0.371  10.378
   37   1HD   PRO   6          HD2       PRO   6 194.705  -1.871   8.641
   38   2HD   PRO   6          HD1       PRO   6 194.864  -2.039  10.401
   39    H    SER   7           HN       SER   7 192.021  -5.538   8.457
   40    HA   SER   7           HA       SER   7 190.303  -4.380   6.425
   41   1HB   SER   7          HB2       SER   7 191.477  -7.163   6.618
   42   2HB   SER   7          HB1       SER   7 190.668  -6.476   5.211
   43    HG   SER   7           HG       SER   7 192.369  -4.789   5.368
   44    H    THR   8           HN       THR   8 189.768  -5.792   9.363
   45    HA   THR   8           HA       THR   8 187.755  -7.661   8.927
   46    HB   THR   8           HB       THR   8 188.983  -6.844  11.110
   47    HG1  THR   8           1HG      THR   8 187.432  -7.955  12.278
   48   1HG2  THR   8          1HG2      THR   8 187.986  -4.624  11.221
   49   2HG2  THR   8          2HG2      THR   8 187.552  -5.607  12.619
   50   3HG2  THR   8          3HG2      THR   8 186.383  -5.351  11.325
   51    H    ALA   9           HN       ALA   9 187.548  -4.172   9.329
   52    HA   ALA   9           HA       ALA   9 184.827  -3.788   9.367
   53   1HB   ALA   9          HB1       ALA   9 186.361  -1.961   9.693
   54   2HB   ALA   9          HB2       ALA   9 185.267  -1.568   8.366
   55   3HB   ALA   9          HB3       ALA   9 186.919  -2.083   8.024
   56    H    LEU  10           HN       LEU  10 186.812  -4.748   6.677
   57    HA   LEU  10           HA       LEU  10 185.001  -4.062   4.604
   58   1HB   LEU  10          HB2       LEU  10 187.348  -4.464   4.142
   59   2HB   LEU  10          HB1       LEU  10 187.208  -6.118   4.704
   60    HG   LEU  10           HG       LEU  10 185.347  -6.130   2.740
   61   1HD1  LEU  10          HD11      LEU  10 187.539  -4.466   1.559
   62   2HD1  LEU  10          HD12      LEU  10 186.097  -3.722   2.249
   63   3HD1  LEU  10          HD13      LEU  10 185.948  -4.844   0.898
   64   1HD2  LEU  10          HD21      LEU  10 187.361  -6.953   1.291
   65   2HD2  LEU  10          HD22      LEU  10 186.865  -7.857   2.722
   66   3HD2  LEU  10          HD23      LEU  10 188.258  -6.778   2.799
   67    H    ARG  11           HN       ARG  11 185.599  -7.094   6.366
   68    HA   ARG  11           HA       ARG  11 183.849  -8.742   4.994
   69   1HB   ARG  11          HB2       ARG  11 183.990 -10.226   6.792
   70   2HB   ARG  11          HB1       ARG  11 185.483  -9.308   6.905
   71   1HG   ARG  11          HG2       ARG  11 183.886  -7.827   8.497
   72   2HG   ARG  11          HG1       ARG  11 183.188  -9.429   8.738
   73   1HD   ARG  11          HD2       ARG  11 185.885  -9.919   8.879
   74   2HD   ARG  11          HD1       ARG  11 185.741  -8.337   9.643
   75    HE   ARG  11           HE       ARG  11 184.689  -9.328  11.417
   76   1HH1  ARG  11          HH11      ARG  11 184.707 -11.556   8.731
   77   2HH1  ARG  11          HH12      ARG  11 184.097 -12.881   9.663
   78   1HH2  ARG  11          HH21      ARG  11 183.887 -11.070  12.646
   79   2HH2  ARG  11          HH22      ARG  11 183.631 -12.605  11.886
   80    H    GLU  12           HN       GLU  12 183.167  -6.168   7.205
   81    HA   GLU  12           HA       GLU  12 180.542  -6.905   7.936
   82   1HB   GLU  12          HB2       GLU  12 182.275  -4.590   8.234
   83   2HB   GLU  12          HB1       GLU  12 180.605  -4.119   7.952
   84   1HG   GLU  12          HG2       GLU  12 180.343  -6.101   9.815
   85   2HG   GLU  12          HG1       GLU  12 181.848  -5.321  10.298
   86    H    LEU  13           HN       LEU  13 181.639  -4.484   5.523
   87    HA   LEU  13           HA       LEU  13 179.048  -4.116   4.449
   88   1HB   LEU  13          HB2       LEU  13 181.763  -3.206   3.883
   89   2HB   LEU  13          HB1       LEU  13 180.783  -3.386   2.439
   90    HG   LEU  13           HG       LEU  13 179.338  -2.013   4.546
   91   1HD1  LEU  13          HD11      LEU  13 180.654  -0.267   5.059
   92   2HD1  LEU  13          HD12      LEU  13 181.446  -0.260   3.484
   93   3HD1  LEU  13          HD13      LEU  13 181.950  -1.413   4.719
   94   1HD2  LEU  13          HD21      LEU  13 178.539  -0.773   2.812
   95   2HD2  LEU  13          HD22      LEU  13 179.097  -2.182   1.910
   96   3HD2  LEU  13          HD23      LEU  13 180.093  -0.729   1.981
   97    H    ILE  14           HN       ILE  14 181.569  -6.426   3.845
   98    HA   ILE  14           HA       ILE  14 180.756  -7.254   1.271
   99    HB   ILE  14           HB       ILE  14 182.614  -8.226   3.328
  100   1HG1  ILE  14          2HG1      ILE  14 184.053  -8.557   1.390
  101   2HG1  ILE  14          1HG1      ILE  14 182.686  -8.321   0.306
  102   1HG2  ILE  14          1HG2      ILE  14 181.184 -10.168   1.534
  103   2HG2  ILE  14          2HG2      ILE  14 181.477 -10.276   3.270
  104   3HG2  ILE  14          3HG2      ILE  14 182.814 -10.475   2.137
  105   1HD1  ILE  14          HD11      ILE  14 182.790  -6.089   0.463
  106   2HD1  ILE  14          HD12      ILE  14 184.447  -6.399   0.981
  107   3HD1  ILE  14          HD13      ILE  14 183.185  -6.120   2.181
  108    H    GLU  15           HN       GLU  15 180.245  -8.833   4.431
  109    HA   GLU  15           HA       GLU  15 178.456 -10.771   3.431
  110   1HB   GLU  15          HB2       GLU  15 178.676  -9.802   6.280
  111   2HB   GLU  15          HB1       GLU  15 178.041 -11.348   5.735
  112   1HG   GLU  15          HG2       GLU  15 180.874 -10.502   5.231
  113   2HG   GLU  15          HG1       GLU  15 180.377 -11.345   6.697
  114    H    GLU  16           HN       GLU  16 177.922  -7.590   4.871
  115    HA   GLU  16           HA       GLU  16 175.139  -7.849   5.246
  116   1HB   GLU  16          HB2       GLU  16 176.830  -6.103   6.140
  117   2HB   GLU  16          HB1       GLU  16 176.517  -5.259   4.637
  118   1HG   GLU  16          HG2       GLU  16 174.515  -5.958   6.769
  119   2HG   GLU  16          HG1       GLU  16 175.131  -4.354   6.377
  120    H    LEU  17           HN       LEU  17 177.033  -6.360   2.641
  121    HA   LEU  17           HA       LEU  17 174.787  -5.684   1.052
  122   1HB   LEU  17          HB2       LEU  17 177.736  -5.898   0.507
  123   2HB   LEU  17          HB1       LEU  17 176.591  -5.460  -0.741
  124    HG   LEU  17           HG       LEU  17 177.895  -3.625   0.613
  125   1HD1  LEU  17          HD11      LEU  17 175.502  -3.705  -0.876
  126   2HD1  LEU  17          HD12      LEU  17 176.585  -2.339  -0.620
  127   3HD1  LEU  17          HD13      LEU  17 175.236  -2.611   0.481
  128   1HD2  LEU  17          HD21      LEU  17 175.497  -4.109   2.375
  129   2HD2  LEU  17          HD22      LEU  17 176.607  -2.744   2.488
  130   3HD2  LEU  17          HD23      LEU  17 177.181  -4.378   2.823
  131    H    VAL  18           HN       VAL  18 176.786  -8.479   1.432
  132    HA   VAL  18           HA       VAL  18 176.053  -9.741  -0.989
  133    HB   VAL  18           HB       VAL  18 177.958 -10.226   0.920
  134   1HG1  VAL  18          1HG1      VAL  18 176.112 -11.429   2.223
  135   2HG1  VAL  18          2HG1      VAL  18 177.658 -12.247   2.004
  136   3HG1  VAL  18          3HG1      VAL  18 176.275 -12.692   1.001
  137   1HG2  VAL  18          1HG2      VAL  18 178.862 -11.525  -0.660
  138   2HG2  VAL  18          2HG2      VAL  18 177.519 -10.930  -1.637
  139   3HG2  VAL  18          3HG2      VAL  18 177.404 -12.501  -0.843
  140    H    ASN  19           HN       ASN  19 174.763  -9.600   2.230
  141    HA   ASN  19           HA       ASN  19 172.901 -11.738   1.959
  142   1HB   ASN  19          HB2       ASN  19 173.706 -10.861   4.150
  143   2HB   ASN  19          HB1       ASN  19 172.799  -9.381   3.854
  144   1HD2  ASN  19          HD21      ASN  19 171.009  -9.329   4.982
  145   2HD2  ASN  19          HD22      ASN  19 169.967 -10.666   5.314
  146    H    ILE  20           HN       ILE  20 172.580  -8.172   1.781
  147    HA   ILE  20           HA       ILE  20 169.854  -8.120   1.211
  148    HB   ILE  20           HB       ILE  20 170.239  -5.894   0.350
  149   1HG1  ILE  20          2HG1      ILE  20 173.152  -6.634   0.469
  150   2HG1  ILE  20          1HG1      ILE  20 172.231  -6.176  -0.966
  151   1HG2  ILE  20          1HG2      ILE  20 170.553  -5.036   2.396
  152   2HG2  ILE  20          2HG2      ILE  20 172.120  -5.824   2.584
  153   3HG2  ILE  20          3HG2      ILE  20 170.636  -6.726   2.893
  154   1HD1  ILE  20          HD11      ILE  20 173.443  -4.272  -0.472
  155   2HD1  ILE  20          HD12      ILE  20 173.229  -4.458   1.269
  156   3HD1  ILE  20          HD13      ILE  20 171.876  -3.940   0.264
  157    H    THR  21           HN       THR  21 172.651  -8.224  -0.963
  158    HA   THR  21           HA       THR  21 171.081  -8.175  -3.347
  159    HB   THR  21           HB       THR  21 173.473  -7.430  -3.182
  160    HG1  THR  21           1HG      THR  21 173.863  -8.003  -5.238
  161   1HG2  THR  21          1HG2      THR  21 173.902 -10.062  -2.249
  162   2HG2  THR  21          2HG2      THR  21 175.080  -8.773  -2.492
  163   3HG2  THR  21          3HG2      THR  21 174.721  -9.897  -3.802
  164    H    GLN  22           HN       GLN  22 172.183 -10.667  -1.201
  165    HA   GLN  22           HA       GLN  22 172.154 -12.896  -2.855
  166   1HB   GLN  22          HB2       GLN  22 171.942 -12.386   0.023
  167   2HB   GLN  22          HB1       GLN  22 171.145 -13.867  -0.489
  168   1HG   GLN  22          HG2       GLN  22 173.135 -14.787  -1.311
  169   2HG   GLN  22          HG1       GLN  22 173.960 -13.229  -1.294
  170   1HE2  GLN  22          1HE2      GLN  22 175.501 -14.788  -0.162
  171   2HE2  GLN  22          2HE2      GLN  22 175.384 -14.850   1.561
  172    H    ASN  23           HN       ASN  23 169.516 -10.967  -1.746
  173    HA   ASN  23           HA       ASN  23 167.391 -12.726  -1.754
  174   1HB   ASN  23          HB2       ASN  23 167.713  -9.824  -2.291
  175   2HB   ASN  23          HB1       ASN  23 166.201 -10.562  -2.810
  176   1HD2  ASN  23          HD21      ASN  23 168.295  -9.967  -0.069
  177   2HD2  ASN  23          HD22      ASN  23 167.073 -10.123   1.141
  178    H    GLN  24           HN       GLN  24 166.057 -13.612  -3.284
  179    HA   GLN  24           HA       GLN  24 167.097 -14.301  -5.761
  180   1HB   GLN  24          HB2       GLN  24 164.153 -14.207  -5.128
  181   2HB   GLN  24          HB1       GLN  24 164.998 -15.308  -6.199
  182   1HG   GLN  24          HG2       GLN  24 165.220 -16.763  -4.557
  183   2HG   GLN  24          HG1       GLN  24 166.137 -15.580  -3.626
  184   1HE2  GLN  24          1HE2      GLN  24 165.367 -15.398  -1.658
  185   2HE2  GLN  24          2HE2      GLN  24 163.700 -15.415  -1.204
  186    H    LYS  25           HN       LYS  25 165.140 -13.937  -7.656
  187    HA   LYS  25           HA       LYS  25 165.812 -11.520  -8.831
  188   1HB   LYS  25          HB2       LYS  25 163.282 -13.113  -9.278
  189   2HB   LYS  25          HB1       LYS  25 163.958 -11.920 -10.378
  190   1HG   LYS  25          HG2       LYS  25 165.219 -14.539  -9.593
  191   2HG   LYS  25          HG1       LYS  25 164.461 -14.157 -11.141
  192   1HD   LYS  25          HD2       LYS  25 166.151 -12.465 -11.576
  193   2HD   LYS  25          HD1       LYS  25 166.884 -12.766  -9.999
  194   1HE   LYS  25          HE2       LYS  25 166.550 -15.080 -11.826
  195   2HE   LYS  25          HE1       LYS  25 167.788 -13.893 -12.235
  196   1HZ   LYS  25          HZ1       LYS  25 167.566 -15.402  -9.687
  197   2HZ   LYS  25          HZ2       LYS  25 168.707 -14.191  -9.990
  198   3HZ   LYS  25          HZ3       LYS  25 168.735 -15.623 -10.890
  199    H    ALA  26           HN       ALA  26 163.361 -12.225  -6.474
  200    HA   ALA  26           HA       ALA  26 161.594 -10.125  -6.806
  201   1HB   ALA  26          HB1       ALA  26 162.306 -10.777  -4.018
  202   2HB   ALA  26          HB2       ALA  26 161.802 -12.130  -5.030
  203   3HB   ALA  26          HB3       ALA  26 160.732 -10.745  -4.813
  204    HA   PRO  27           HA       PRO  27 163.854  -6.490  -5.726
  205   1HB   PRO  27          HB2       PRO  27 161.934  -4.801  -5.139
  206   2HB   PRO  27          HB1       PRO  27 161.996  -5.529  -6.757
  207   1HG   PRO  27          HG2       PRO  27 160.496  -6.465  -4.359
  208   2HG   PRO  27          HG1       PRO  27 159.810  -6.057  -5.946
  209   1HD   PRO  27          HD2       PRO  27 160.377  -8.592  -5.295
  210   2HD   PRO  27          HD1       PRO  27 160.731  -7.987  -6.930
  211    H    LEU  28           HN       LEU  28 163.928  -4.735  -3.948
  212    HA   LEU  28           HA       LEU  28 164.646  -5.925  -1.536
  213   1HB   LEU  28          HB2       LEU  28 165.566  -3.806  -2.108
  214   2HB   LEU  28          HB1       LEU  28 163.978  -3.076  -2.233
  215    HG   LEU  28           HG       LEU  28 163.684  -3.095   0.136
  216   1HD1  LEU  28          HD11      LEU  28 165.434  -4.011   1.641
  217   2HD1  LEU  28          HD12      LEU  28 166.215  -4.726   0.230
  218   3HD1  LEU  28          HD13      LEU  28 164.593  -5.240   0.695
  219   1HD2  LEU  28          HD21      LEU  28 165.441  -1.637   0.849
  220   2HD2  LEU  28          HD22      LEU  28 165.126  -1.319  -0.857
  221   3HD2  LEU  28          HD23      LEU  28 166.534  -2.269  -0.383
  222    H    CYS  29           HN       CYS  29 162.139  -3.452  -1.570
  223    HA   CYS  29           HA       CYS  29 160.676  -4.987   0.444
  224   1HB   CYS  29          HB2       CYS  29 161.200  -2.198   0.030
  225   2HB   CYS  29          HB1       CYS  29 159.459  -2.459   0.039
  226    H    ASN  30           HN       ASN  30 159.769  -2.890  -2.307
  227    HA   ASN  30           HA       ASN  30 158.002  -4.934  -3.336
  228   1HB   ASN  30          HB2       ASN  30 155.995  -3.460  -3.274
  229   2HB   ASN  30          HB1       ASN  30 156.544  -3.952  -1.675
  230   1HD2  ASN  30          HD21      ASN  30 157.407  -2.438  -0.290
  231   2HD2  ASN  30          HD22      ASN  30 157.291  -0.738  -0.575
  232    H    GLY  31           HN       GLY  31 160.129  -4.103  -4.650
  233   1HA   GLY  31          HA2       GLY  31 160.880  -3.162  -6.605
  234   2HA   GLY  31          HA1       GLY  31 159.196  -3.196  -7.101
  235    H    SER  32           HN       SER  32 160.167  -1.349  -4.322
  236    HA   SER  32           HA       SER  32 159.090   1.050  -5.375
  237   1HB   SER  32          HB2       SER  32 160.853   0.560  -2.966
  238   2HB   SER  32          HB1       SER  32 160.064   2.095  -3.325
  239    HG   SER  32           HG       SER  32 158.727   0.997  -1.950
  240    H    MET  33           HN       MET  33 160.012   2.143  -6.998
  241    HA   MET  33           HA       MET  33 162.618   1.963  -7.871
  242   1HB   MET  33          HB2       MET  33 160.935   4.450  -8.106
  243   2HB   MET  33          HB1       MET  33 162.174   3.878  -9.203
  244   1HG   MET  33          HG2       MET  33 159.481   2.647  -8.737
  245   2HG   MET  33          HG1       MET  33 160.026   3.497 -10.179
  246   1HE   MET  33          HE1       MET  33 162.991   1.234 -11.243
  247   2HE   MET  33          HE2       MET  33 162.449   2.889 -10.962
  248   3HE   MET  33          HE3       MET  33 161.694   1.916 -12.224
  249    H    VAL  34           HN       VAL  34 164.321   3.579  -7.839
  250    HA   VAL  34           HA       VAL  34 164.366   5.303  -5.476
  251    HB   VAL  34           HB       VAL  34 166.901   4.405  -5.334
  252   1HG1  VAL  34          1HG1      VAL  34 166.302   3.747  -3.269
  253   2HG1  VAL  34          2HG1      VAL  34 165.014   2.698  -3.862
  254   3HG1  VAL  34          3HG1      VAL  34 164.739   4.434  -3.711
  255   1HG2  VAL  34          1HG2      VAL  34 165.256   2.101  -6.350
  256   2HG2  VAL  34          2HG2      VAL  34 166.697   1.867  -5.365
  257   3HG2  VAL  34          3HG2      VAL  34 166.820   2.674  -6.926
  258    H    TRP  35           HN       TRP  35 166.504   6.596  -5.455
  259    HA   TRP  35           HA       TRP  35 166.645   8.023  -7.930
  260   1HB   TRP  35          HB2       TRP  35 167.868   8.297  -5.222
  261   2HB   TRP  35          HB1       TRP  35 168.579   9.183  -6.557
  262    HD1  TRP  35           HD1      TRP  35 166.653  10.084  -3.889
  263    HE1  TRP  35           HE1      TRP  35 164.882  11.854  -4.409
  264    HE3  TRP  35           HE3      TRP  35 166.467   9.600  -8.978
  265    HZ2  TRP  35           HZ2      TRP  35 163.555  12.919  -6.663
  266    HZ3  TRP  35           HZ3      TRP  35 164.916  11.033 -10.239
  267    HH2  TRP  35           HH2      TRP  35 163.491  12.659  -9.105
  268    H    SER  36           HN       SER  36 168.602   5.672  -6.322
  269    HA   SER  36           HA       SER  36 170.120   4.208  -7.279
  270   1HB   SER  36          HB2       SER  36 169.627   4.794  -9.551
  271   2HB   SER  36          HB1       SER  36 170.394   6.358  -9.345
  272    HG   SER  36           HG       SER  36 171.595   4.448 -10.362
  273    H    ILE  37           HN       ILE  37 172.588   4.279  -7.551
  274    HA   ILE  37           HA       ILE  37 173.656   5.761  -5.391
  275    HB   ILE  37           HB       ILE  37 175.010   4.009  -7.438
  276   1HG1  ILE  37          2HG1      ILE  37 173.104   2.994  -6.045
  277   2HG1  ILE  37          1HG1      ILE  37 174.656   2.163  -6.012
  278   1HG2  ILE  37          1HG2      ILE  37 175.868   5.145  -4.834
  279   2HG2  ILE  37          2HG2      ILE  37 176.650   5.252  -6.407
  280   3HG2  ILE  37          3HG2      ILE  37 176.632   3.722  -5.534
  281   1HD1  ILE  37          HD11      ILE  37 173.249   2.697  -3.820
  282   2HD1  ILE  37          HD12      ILE  37 174.188   4.189  -3.914
  283   3HD1  ILE  37          HD13      ILE  37 175.012   2.631  -3.833
  284    H    ASN  38           HN       ASN  38 175.698   6.959  -5.621
  285    HA   ASN  38           HA       ASN  38 175.686   8.644  -8.030
  286   1HB   ASN  38          HB2       ASN  38 176.094   9.219  -5.148
  287   2HB   ASN  38          HB1       ASN  38 177.127  10.095  -6.269
  288   1HD2  ASN  38          HD21      ASN  38 176.354  11.889  -7.122
  289   2HD2  ASN  38          HD22      ASN  38 174.692  12.362  -7.150
  290    H    LEU  39           HN       LEU  39 176.949   6.741  -8.868
  291    HA   LEU  39           HA       LEU  39 179.592   6.300  -7.920
  292   1HB   LEU  39          HB2       LEU  39 178.180   5.509 -10.453
  293   2HB   LEU  39          HB1       LEU  39 179.828   5.032 -10.078
  294    HG   LEU  39           HG       LEU  39 178.288   4.382  -7.814
  295   1HD1  LEU  39          HD11      LEU  39 177.025   3.175 -10.245
  296   2HD1  LEU  39          HD12      LEU  39 176.378   4.619  -9.464
  297   3HD1  LEU  39          HD13      LEU  39 176.489   3.104  -8.564
  298   1HD2  LEU  39          HD21      LEU  39 179.330   2.581  -9.985
  299   2HD2  LEU  39          HD22      LEU  39 178.996   2.146  -8.308
  300   3HD2  LEU  39          HD23      LEU  39 180.303   3.270  -8.685
  301    H    THR  40           HN       THR  40 179.736   8.722  -7.956
  302    HA   THR  40           HA       THR  40 181.735   9.460  -9.813
  303    HB   THR  40           HB       THR  40 180.018   9.829 -11.410
  304    HG1  THR  40           1HG      THR  40 181.222  11.577 -11.621
  305   1HG2  THR  40          1HG2      THR  40 178.493  11.623  -9.568
  306   2HG2  THR  40          2HG2      THR  40 178.161   9.893  -9.651
  307   3HG2  THR  40          3HG2      THR  40 177.983  10.895 -11.091
  308    H    ALA  41           HN       ALA  41 179.267  10.595  -7.553
  309    HA   ALA  41           HA       ALA  41 181.220  11.858  -5.895
  310   1HB   ALA  41          HB1       ALA  41 181.051  13.578  -7.617
  311   2HB   ALA  41          HB2       ALA  41 180.394  14.151  -6.084
  312   3HB   ALA  41          HB3       ALA  41 179.305  13.655  -7.380
  313    H    GLY  42           HN       GLY  42 180.507  11.324  -3.937
  314   1HA   GLY  42          HA2       GLY  42 179.097  11.270  -2.099
  315   2HA   GLY  42          HA1       GLY  42 177.866  12.064  -3.070
  316    H    MET  43           HN       MET  43 179.523   9.066  -3.831
  317    HA   MET  43           HA       MET  43 177.227   7.686  -4.582
  318   1HB   MET  43          HB2       MET  43 178.734   5.612  -4.165
  319   2HB   MET  43          HB1       MET  43 179.180   6.762  -5.414
  320   1HG   MET  43          HG2       MET  43 180.311   7.348  -2.779
  321   2HG   MET  43          HG1       MET  43 180.841   5.822  -3.481
  322   1HE   MET  43          HE1       MET  43 183.135   9.272  -3.861
  323   2HE   MET  43          HE2       MET  43 183.550   7.624  -3.391
  324   3HE   MET  43          HE3       MET  43 182.222   8.463  -2.588
  325    H    TYR  44           HN       TYR  44 178.998   7.537  -1.493
  326    HA   TYR  44           HA       TYR  44 177.303   5.625  -0.298
  327   1HB   TYR  44          HB2       TYR  44 179.356   7.551   0.692
  328   2HB   TYR  44          HB1       TYR  44 178.279   6.804   1.866
  329    HD1  TYR  44           HD1      TYR  44 179.895   5.439  -1.212
  330    HD2  TYR  44           HD2      TYR  44 179.500   5.206   3.018
  331    HE1  TYR  44           HE1      TYR  44 181.318   3.433  -1.194
  332    HE2  TYR  44           HE2      TYR  44 180.923   3.202   3.047
  333    HH   TYR  44           HH       TYR  44 182.925   2.335   0.883
  334    H    CYS  45           HN       CYS  45 177.502   9.143   0.292
  335    HA   CYS  45           HA       CYS  45 175.233   9.323   1.901
  336   1HB   CYS  45          HB2       CYS  45 177.056  11.088   1.403
  337   2HB   CYS  45          HB1       CYS  45 176.043  11.536   0.036
  338    H    ALA  46           HN       ALA  46 175.544   9.068  -1.545
  339    HA   ALA  46           HA       ALA  46 172.965  10.037  -2.237
  340   1HB   ALA  46          HB1       ALA  46 174.643   9.931  -3.936
  341   2HB   ALA  46          HB2       ALA  46 173.359   8.805  -4.377
  342   3HB   ALA  46          HB3       ALA  46 174.863   8.199  -3.685
  343    H    ALA  47           HN       ALA  47 174.279   6.762  -1.822
  344    HA   ALA  47           HA       ALA  47 171.822   5.425  -2.210
  345   1HB   ALA  47          HB1       ALA  47 174.428   4.646  -1.995
  346   2HB   ALA  47          HB2       ALA  47 173.042   3.557  -2.018
  347   3HB   ALA  47          HB3       ALA  47 173.743   4.059  -0.481
  348    H    LEU  48           HN       LEU  48 173.219   7.031   0.527
  349    HA   LEU  48           HA       LEU  48 171.608   5.734   2.504
  350   1HB   LEU  48          HB2       LEU  48 173.714   6.634   3.174
  351   2HB   LEU  48          HB1       LEU  48 173.328   8.205   2.505
  352    HG   LEU  48           HG       LEU  48 171.646   8.569   4.225
  353   1HD1  LEU  48          HD11      LEU  48 170.678   6.698   5.000
  354   2HD1  LEU  48          HD12      LEU  48 171.993   6.717   6.174
  355   3HD1  LEU  48          HD13      LEU  48 172.117   5.716   4.727
  356   1HD2  LEU  48          HD21      LEU  48 174.173   7.629   5.555
  357   2HD2  LEU  48          HD22      LEU  48 173.106   8.945   6.045
  358   3HD2  LEU  48          HD23      LEU  48 174.088   9.102   4.588
  359    H    GLU  49           HN       GLU  49 171.540   8.777   0.725
  360    HA   GLU  49           HA       GLU  49 169.316   9.837   2.074
  361   1HB   GLU  49          HB2       GLU  49 169.195  11.465   0.246
  362   2HB   GLU  49          HB1       GLU  49 170.843  11.266   0.825
  363   1HG   GLU  49          HG2       GLU  49 171.489  10.078  -1.074
  364   2HG   GLU  49          HG1       GLU  49 169.824   9.764  -1.556
  365    H    SER  50           HN       SER  50 169.646   7.835  -0.799
  366    HA   SER  50           HA       SER  50 166.834   7.984  -1.425
  367   1HB   SER  50          HB2       SER  50 167.662   5.921  -2.929
  368   2HB   SER  50          HB1       SER  50 167.937   7.603  -3.385
  369    HG   SER  50           HG       SER  50 169.789   6.110  -1.851
  370    H    LEU  51           HN       LEU  51 168.960   5.801   0.311
  371    HA   LEU  51           HA       LEU  51 167.104   3.643   0.466
  372   1HB   LEU  51          HB2       LEU  51 169.668   4.338   1.842
  373   2HB   LEU  51          HB1       LEU  51 168.681   3.029   2.453
  374    HG   LEU  51           HG       LEU  51 169.592   3.122  -0.410
  375   1HD1  LEU  51          HD11      LEU  51 171.130   2.501   2.007
  376   2HD1  LEU  51          HD12      LEU  51 171.679   2.910   0.382
  377   3HD1  LEU  51          HD13      LEU  51 171.186   1.259   0.756
  378   1HD2  LEU  51          HD21      LEU  51 168.357   1.088   1.400
  379   2HD2  LEU  51          HD22      LEU  51 169.342   0.578   0.028
  380   3HD2  LEU  51          HD23      LEU  51 167.899   1.556  -0.238
  381    H    ILE  52           HN       ILE  52 167.901   6.382   2.538
  382    HA   ILE  52           HA       ILE  52 166.504   5.620   4.829
  383    HB   ILE  52           HB       ILE  52 168.064   7.526   4.729
  384   1HG1  ILE  52          2HG1      ILE  52 166.211   7.213   6.491
  385   2HG1  ILE  52          1HG1      ILE  52 167.005   8.780   6.401
  386   1HG2  ILE  52          1HG2      ILE  52 166.173   8.473   2.749
  387   2HG2  ILE  52          2HG2      ILE  52 167.835   8.969   3.057
  388   3HG2  ILE  52          3HG2      ILE  52 166.516   9.687   3.980
  389   1HD1  ILE  52          HD11      ILE  52 164.252   8.192   6.257
  390   2HD1  ILE  52          HD12      ILE  52 164.739   8.819   4.683
  391   3HD1  ILE  52          HD13      ILE  52 165.046   9.762   6.142
  392    H    ASN  53           HN       ASN  53 165.353   6.828   1.786
  393    HA   ASN  53           HA       ASN  53 162.806   7.723   2.658
  394   1HB   ASN  53          HB2       ASN  53 164.067   7.090   0.033
  395   2HB   ASN  53          HB1       ASN  53 162.308   7.163   0.099
  396   1HD2  ASN  53          HD21      ASN  53 165.207   8.980   0.992
  397   2HD2  ASN  53          HD22      ASN  53 164.523  10.543   0.719
  398    H    VAL  54           HN       VAL  54 164.125   4.596   1.945
  399    HA   VAL  54           HA       VAL  54 161.795   3.173   1.338
  400    HB   VAL  54           HB       VAL  54 164.193   2.142   2.863
  401   1HG1  VAL  54          1HG1      VAL  54 163.485  -0.004   1.645
  402   2HG1  VAL  54          2HG1      VAL  54 161.934   0.802   1.414
  403   3HG1  VAL  54          3HG1      VAL  54 162.539   0.504   3.044
  404   1HG2  VAL  54          1HG2      VAL  54 164.945   3.163   0.819
  405   2HG2  VAL  54          2HG2      VAL  54 163.689   2.338  -0.104
  406   3HG2  VAL  54          3HG2      VAL  54 164.998   1.411   0.628
  407    H    SER  55           HN       SER  55 160.228   2.214   2.541
  408    HA   SER  55           HA       SER  55 160.403   2.349   5.460
  409   1HB   SER  55          HB2       SER  55 157.812   3.021   5.187
  410   2HB   SER  55          HB1       SER  55 159.097   4.220   5.332
  411    HG   SER  55           HG       SER  55 157.600   4.522   3.538
  412    H    GLY  56           HN       GLY  56 159.885   0.450   6.317
  413   1HA   GLY  56          HA2       GLY  56 158.310  -1.334   6.651
  414   2HA   GLY  56          HA1       GLY  56 157.881  -1.219   4.950
  415    H    CYS  57           HN       CYS  57 161.206  -1.163   6.007
  416    HA   CYS  57           HA       CYS  57 161.554  -3.962   5.223
  417   1HB   CYS  57          HB2       CYS  57 162.577  -1.575   3.856
  418   2HB   CYS  57          HB1       CYS  57 163.820  -2.750   4.246
  419    H    SER  58           HN       SER  58 163.556  -1.173   6.145
  420    HA   SER  58           HA       SER  58 165.029  -0.831   7.833
  421   1HB   SER  58          HB2       SER  58 162.848  -1.948   9.019
  422   2HB   SER  58          HB1       SER  58 164.115  -3.075   9.512
  423    HG   SER  58           HG       SER  58 163.988  -0.281   9.960
  424    H    ALA  59           HN       ALA  59 165.286  -3.192   5.782
  425    HA   ALA  59           HA       ALA  59 167.246  -4.848   7.151
  426   1HB   ALA  59          HB1       ALA  59 165.845  -4.954   4.531
  427   2HB   ALA  59          HB2       ALA  59 166.074  -6.214   5.744
  428   3HB   ALA  59          HB3       ALA  59 167.404  -5.765   4.676
  429    H    ILE  60           HN       ILE  60 167.237  -1.890   5.659
  430    HA   ILE  60           HA       ILE  60 169.978  -2.140   4.654
  431    HB   ILE  60           HB       ILE  60 169.346   0.269   3.806
  432   1HG1  ILE  60          2HG1      ILE  60 166.960   0.386   3.135
  433   2HG1  ILE  60          1HG1      ILE  60 166.653  -1.072   4.070
  434   1HG2  ILE  60          1HG2      ILE  60 169.630  -2.152   2.639
  435   2HG2  ILE  60          2HG2      ILE  60 169.304  -0.659   1.759
  436   3HG2  ILE  60          3HG2      ILE  60 167.979  -1.746   2.171
  437   1HD1  ILE  60          HD11      ILE  60 166.615   0.036   6.010
  438   2HD1  ILE  60          HD12      ILE  60 166.329   1.445   4.990
  439   3HD1  ILE  60          HD13      ILE  60 167.959   1.084   5.558
  440    H    GLU  61           HN       GLU  61 168.140  -0.947   7.248
  441    HA   GLU  61           HA       GLU  61 169.125   1.395   8.086
  442   1HB   GLU  61          HB2       GLU  61 168.235  -1.032   9.445
  443   2HB   GLU  61          HB1       GLU  61 169.310  -0.045  10.424
  444   1HG   GLU  61          HG2       GLU  61 167.556   1.789   9.350
  445   2HG   GLU  61          HG1       GLU  61 166.541   0.387   9.683
  446    H    LYS  62           HN       LYS  62 170.838  -1.667   8.472
  447    HA   LYS  62           HA       LYS  62 173.099  -0.670   9.791
  448   1HB   LYS  62          HB2       LYS  62 172.472  -3.109   8.211
  449   2HB   LYS  62          HB1       LYS  62 174.172  -2.732   8.453
  450   1HG   LYS  62          HG2       LYS  62 173.617  -2.562  10.930
  451   2HG   LYS  62          HG1       LYS  62 172.082  -3.330  10.519
  452   1HD   LYS  62          HD2       LYS  62 173.593  -5.047  11.209
  453   2HD   LYS  62          HD1       LYS  62 173.389  -5.183   9.461
  454   1HE   LYS  62          HE2       LYS  62 175.522  -4.487   9.020
  455   2HE   LYS  62          HE1       LYS  62 175.621  -3.509  10.484
  456   1HZ   LYS  62          HZ1       LYS  62 176.282  -5.270  11.727
  457   2HZ   LYS  62          HZ2       LYS  62 176.901  -5.783  10.239
  458   3HZ   LYS  62          HZ3       LYS  62 175.435  -6.408  10.805
  459    H    THR  63           HN       THR  63 172.511  -1.218   6.335
  460    HA   THR  63           HA       THR  63 175.004  -0.221   5.446
  461    HB   THR  63           HB       THR  63 172.338  -0.544   4.059
  462    HG1  THR  63           1HG      THR  63 173.439  -2.312   3.109
  463   1HG2  THR  63          1HG2      THR  63 173.404  -0.259   1.948
  464   2HG2  THR  63          2HG2      THR  63 174.974  -0.015   2.716
  465   3HG2  THR  63          3HG2      THR  63 173.697   1.185   2.917
  466    H    GLN  64           HN       GLN  64 171.938   1.285   6.206
  467    HA   GLN  64           HA       GLN  64 172.320   3.762   4.957
  468   1HB   GLN  64          HB2       GLN  64 170.807   3.045   7.473
  469   2HB   GLN  64          HB1       GLN  64 170.731   4.625   6.706
  470   1HG   GLN  64          HG2       GLN  64 169.912   3.497   4.638
  471   2HG   GLN  64          HG1       GLN  64 169.825   1.997   5.562
  472   1HE2  GLN  64          1HE2      GLN  64 167.653   3.280   4.284
  473   2HE2  GLN  64          2HE2      GLN  64 166.526   3.750   5.504
  474    H    ARG  65           HN       ARG  65 172.747   3.053   8.432
  475    HA   ARG  65           HA       ARG  65 174.034   5.388   9.103
  476   1HB   ARG  65          HB2       ARG  65 173.863   2.677  10.293
  477   2HB   ARG  65          HB1       ARG  65 175.128   3.736  10.900
  478   1HG   ARG  65          HG2       ARG  65 172.433   4.915  10.701
  479   2HG   ARG  65          HG1       ARG  65 172.651   3.650  11.912
  480   1HD   ARG  65          HD2       ARG  65 174.214   4.874  13.098
  481   2HD   ARG  65          HD1       ARG  65 174.640   5.870  11.708
  482    HE   ARG  65           HE       ARG  65 172.062   6.541  12.194
  483   1HH1  ARG  65          HH11      ARG  65 174.924   6.415  14.188
  484   2HH1  ARG  65          HH12      ARG  65 174.407   7.698  15.229
  485   1HH2  ARG  65          HH21      ARG  65 171.380   8.229  13.563
  486   2HH2  ARG  65          HH22      ARG  65 172.395   8.728  14.876
  487    H    MET  66           HN       MET  66 175.426   2.279   8.132
  488    HA   MET  66           HA       MET  66 178.120   2.870   8.391
  489   1HB   MET  66          HB2       MET  66 176.501   0.950   6.850
  490   2HB   MET  66          HB1       MET  66 178.094   1.268   6.181
  491   1HG   MET  66          HG2       MET  66 178.560   0.910   8.885
  492   2HG   MET  66          HG1       MET  66 177.325  -0.286   8.495
  493   1HE   MET  66          HE1       MET  66 177.647  -2.088   6.446
  494   2HE   MET  66          HE2       MET  66 178.041  -2.560   8.099
  495   3HE   MET  66          HE3       MET  66 179.109  -3.020   6.773
  496    H    LEU  67           HN       LEU  67 175.872   3.693   5.833
  497    HA   LEU  67           HA       LEU  67 177.855   4.694   4.034
  498   1HB   LEU  67          HB2       LEU  67 174.862   4.800   4.167
  499   2HB   LEU  67          HB1       LEU  67 175.734   5.760   2.992
  500    HG   LEU  67           HG       LEU  67 175.904   2.757   3.221
  501   1HD1  LEU  67          HD11      LEU  67 174.321   4.543   1.392
  502   2HD1  LEU  67          HD12      LEU  67 173.725   3.271   2.458
  503   3HD1  LEU  67          HD13      LEU  67 174.669   2.852   1.029
  504   1HD2  LEU  67          HD21      LEU  67 176.834   3.222   0.809
  505   2HD2  LEU  67          HD22      LEU  67 177.886   3.310   2.222
  506   3HD2  LEU  67          HD23      LEU  67 177.242   4.789   1.509
  507    H    SER  68           HN       SER  68 175.681   6.094   6.436
  508    HA   SER  68           HA       SER  68 176.055   8.792   5.855
  509   1HB   SER  68          HB2       SER  68 175.099   9.254   7.951
  510   2HB   SER  68          HB1       SER  68 174.433   7.676   7.533
  511    HG   SER  68           HG       SER  68 175.239   7.066   9.369
  512    H    GLY  69           HN       GLY  69 177.906   6.638   7.938
  513   1HA   GLY  69          HA2       GLY  69 179.645   8.385   9.120
  514   2HA   GLY  69          HA1       GLY  69 180.074   6.747   8.669
  515    H    PHE  70           HN       PHE  70 179.558   7.427   5.784
  516    HA   PHE  70           HA       PHE  70 182.135   8.758   5.310
  517   1HB   PHE  70          HB2       PHE  70 180.637   6.606   3.880
  518   2HB   PHE  70          HB1       PHE  70 181.710   7.647   2.950
  519    HD1  PHE  70           HD1      PHE  70 181.494   5.003   5.437
  520    HD2  PHE  70           HD2      PHE  70 184.116   7.633   3.360
  521    HE1  PHE  70           HE1      PHE  70 183.414   3.627   6.127
  522    HE2  PHE  70           HE2      PHE  70 186.041   6.262   4.044
  523    HZ   PHE  70           HZ       PHE  70 185.690   4.256   5.429
  524    H    CYS  71           HN       CYS  71 178.731   8.979   4.721
  525    HA   CYS  71           HA       CYS  71 178.552  10.495   2.442
  526   1HB   CYS  71          HB2       CYS  71 176.477   9.971   3.282
  527   2HB   CYS  71          HB1       CYS  71 176.940  10.319   4.941
  528    HA   PRO  72           HA       PRO  72 180.844  14.130   3.755
  529   1HB   PRO  72          HB2       PRO  72 181.087  15.278   1.352
  530   2HB   PRO  72          HB1       PRO  72 181.991  13.816   1.766
  531   1HG   PRO  72          HG2       PRO  72 179.488  14.101   0.150
  532   2HG   PRO  72          HG1       PRO  72 180.909  13.087  -0.159
  533   1HD   PRO  72          HD2       PRO  72 178.574  12.172   0.973
  534   2HD   PRO  72          HD1       PRO  72 180.163  11.420   1.216
  535    H    HIS  73           HN       HIS  73 178.166  14.228   4.435
  536    HA   HIS  73           HA       HIS  73 177.575  16.906   4.543
  537   1HB   HIS  73          HB2       HIS  73 177.015  15.895   1.941
  538   2HB   HIS  73          HB1       HIS  73 175.474  16.229   2.721
  539    HD1  HIS  73           HD1      HIS  73 177.379  17.827   0.431
  540    HD2  HIS  73           HD2      HIS  73 176.120  19.014   4.208
  541    HE1  HIS  73           HE1      HIS  73 177.485  20.339   0.416
  542    HE2  HIS  73           HE2      HIS  73 176.802  21.031   2.740
  543    H    LYS  74           HN       LYS  74 174.796  16.977   4.423
  544    HA   LYS  74           HA       LYS  74 174.058  14.932   6.414
  545   1HB   LYS  74          HB2       LYS  74 174.179  17.567   6.907
  546   2HB   LYS  74          HB1       LYS  74 172.542  17.483   6.273
  547   1HG   LYS  74          HG2       LYS  74 172.456  17.297   8.654
  548   2HG   LYS  74          HG1       LYS  74 172.034  15.733   7.953
  549   1HD   LYS  74          HD2       LYS  74 173.970  14.737   8.666
  550   2HD   LYS  74          HD1       LYS  74 174.881  16.248   8.647
  551   1HE   LYS  74          HE2       LYS  74 173.622  16.995  10.633
  552   2HE   LYS  74          HE1       LYS  74 172.792  15.440  10.667
  553   1HZ   LYS  74          HZ1       LYS  74 175.039  14.402  10.872
  554   2HZ   LYS  74          HZ2       LYS  74 174.569  15.331  12.205
  555   3HZ   LYS  74          HZ3       LYS  74 175.682  15.952  11.093
  556    H    VAL  75           HN       VAL  75 172.026  13.961   6.265
  557    HA   VAL  75           HA       VAL  75 170.082  14.746   4.353
  558    HB   VAL  75           HB       VAL  75 171.707  13.772   2.794
  559   1HG1  VAL  75          1HG1      VAL  75 171.250  11.061   3.956
  560   2HG1  VAL  75          2HG1      VAL  75 172.507  12.100   4.628
  561   3HG1  VAL  75          3HG1      VAL  75 172.560  11.638   2.927
  562   1HG2  VAL  75          1HG2      VAL  75 169.676  11.678   2.680
  563   2HG2  VAL  75          2HG2      VAL  75 170.055  12.956   1.525
  564   3HG2  VAL  75          3HG2      VAL  75 169.012  13.296   2.905
  565    H    SER  76           HN       SER  76 168.554  14.505   5.925
  566    HA   SER  76           HA       SER  76 168.261  12.022   7.327
  567   1HB   SER  76          HB2       SER  76 166.935  13.255   8.819
  568   2HB   SER  76          HB1       SER  76 168.273  14.322   8.425
  569    HG   SER  76           HG       SER  76 166.816  15.205   6.775
  570    H    ALA  77           HN       ALA  77 165.577  13.069   7.529
  571    HA   ALA  77           HA       ALA  77 164.373  11.471   5.415
  572   1HB   ALA  77          HB1       ALA  77 162.662  11.058   6.815
  573   2HB   ALA  77          HB2       ALA  77 162.585  12.726   7.383
  574   3HB   ALA  77          HB3       ALA  77 163.788  11.622   8.050
  575    H    GLY  78           HN       GLY  78 164.676  12.880   3.645
  576   1HA   GLY  78          HA2       GLY  78 164.195  14.624   2.231
  577   2HA   GLY  78          HA1       GLY  78 162.569  14.405   2.852
  578    H    GLN  79           HN       GLN  79 165.536  16.235   3.140
  579    HA   GLN  79           HA       GLN  79 164.641  17.945   5.235
  580   1HB   GLN  79          HB2       GLN  79 166.580  19.332   4.649
  581   2HB   GLN  79          HB1       GLN  79 167.019  17.635   4.780
  582   1HG   GLN  79          HG2       GLN  79 166.644  17.608   2.213
  583   2HG   GLN  79          HG1       GLN  79 166.825  19.356   2.352
  584   1HE2  GLN  79          1HE2      GLN  79 168.807  20.167   2.348
  585   2HE2  GLN  79          2HE2      GLN  79 170.266  19.261   2.540
  586    H    PHE  80           HN       PHE  80 162.739  18.952   4.843
  587    HA   PHE  80           HA       PHE  80 161.149  20.242   3.842
  588   1HB   PHE  80          HB2       PHE  80 162.465  22.369   2.728
  589   2HB   PHE  80          HB1       PHE  80 162.040  22.222   4.428
  590    HD1  PHE  80           HD1      PHE  80 164.656  22.757   2.135
  591    HD2  PHE  80           HD2      PHE  80 163.808  21.031   5.932
  592    HE1  PHE  80           HE1      PHE  80 167.036  22.918   2.736
  593    HE2  PHE  80           HE2      PHE  80 166.186  21.190   6.540
  594    HZ   PHE  80           HZ       PHE  80 167.804  22.134   4.941
  595    H    SER  81           HN       SER  81 163.527  21.261   1.451
  596    HA   SER  81           HA       SER  81 161.780  20.174  -0.633
  597   1HB   SER  81          HB2       SER  81 164.096  22.021  -1.144
  598   2HB   SER  81          HB1       SER  81 162.618  21.812  -2.083
  599    HG   SER  81           HG       SER  81 162.803  22.972   0.503
  600    H    SER  82           HN       SER  82 162.389  18.560  -1.942
  601    HA   SER  82           HA       SER  82 165.075  17.443  -1.556
  602   1HB   SER  82          HB2       SER  82 162.882  16.019  -3.026
  603   2HB   SER  82          HB1       SER  82 164.214  15.345  -2.087
  604    HG   SER  82           HG       SER  82 162.198  15.196  -0.995
  605    H    LEU  83           HN       LEU  83 166.316  18.649  -2.950
  606    HA   LEU  83           HA       LEU  83 165.708  18.298  -5.809
  607   1HB   LEU  83          HB2       LEU  83 166.851  20.742  -4.457
  608   2HB   LEU  83          HB1       LEU  83 166.800  20.511  -6.194
  609    HG   LEU  83           HG       LEU  83 164.985  21.940  -5.590
  610   1HD1  LEU  83          HD11      LEU  83 163.364  20.913  -6.795
  611   2HD1  LEU  83          HD12      LEU  83 163.472  19.413  -5.874
  612   3HD1  LEU  83          HD13      LEU  83 164.674  19.776  -7.113
  613   1HD2  LEU  83          HD21      LEU  83 163.728  21.761  -3.740
  614   2HD2  LEU  83          HD22      LEU  83 165.004  20.678  -3.182
  615   3HD2  LEU  83          HD23      LEU  83 163.542  20.016  -3.913
  616    H    HIS  84           HN       HIS  84 167.844  18.989  -7.080
  617    HA   HIS  84           HA       HIS  84 170.050  18.627  -7.544
  618   1HB   HIS  84          HB2       HIS  84 170.246  19.173  -4.938
  619   2HB   HIS  84          HB1       HIS  84 170.690  17.470  -4.884
  620    HD1  HIS  84           HD1      HIS  84 172.637  19.906  -4.299
  621    HD2  HIS  84           HD2      HIS  84 172.416  17.736  -7.835
  622    HE1  HIS  84           HE1      HIS  84 174.873  20.202  -5.410
  623    HE2  HIS  84           HE2      HIS  84 174.685  18.952  -7.590
  624    H    VAL  85           HN       VAL  85 168.883  16.138  -5.322
  625    HA   VAL  85           HA       VAL  85 170.110  14.046  -6.897
  626    HB   VAL  85           HB       VAL  85 170.100  13.872  -4.449
  627   1HG1  VAL  85          1HG1      VAL  85 168.259  14.659  -3.441
  628   2HG1  VAL  85          2HG1      VAL  85 167.623  13.033  -3.690
  629   3HG1  VAL  85          3HG1      VAL  85 167.230  14.318  -4.832
  630   1HG2  VAL  85          1HG2      VAL  85 168.319  11.667  -5.394
  631   2HG2  VAL  85          2HG2      VAL  85 169.753  11.592  -4.370
  632   3HG2  VAL  85          3HG2      VAL  85 169.921  11.866  -6.104
  633    H    ARG  86           HN       ARG  86 168.535  15.117  -8.654
  634    HA   ARG  86           HA       ARG  86 166.335  13.205  -8.923
  635   1HB   ARG  86          HB2       ARG  86 164.821  14.965  -9.737
  636   2HB   ARG  86          HB1       ARG  86 165.296  15.233  -8.066
  637   1HG   ARG  86          HG2       ARG  86 165.725  17.321  -8.715
  638   2HG   ARG  86          HG1       ARG  86 167.192  16.649  -9.429
  639   1HD   ARG  86          HD2       ARG  86 166.401  16.817 -11.546
  640   2HD   ARG  86          HD1       ARG  86 164.739  16.478 -11.066
  641    HE   ARG  86           HE       ARG  86 165.880  19.025 -11.471
  642   1HH1  ARG  86          HH11      ARG  86 163.707  17.338  -9.324
  643   2HH1  ARG  86          HH12      ARG  86 162.811  18.761  -8.910
  644   1HH2  ARG  86          HH21      ARG  86 164.703  20.898 -10.928
  645   2HH2  ARG  86          HH22      ARG  86 163.376  20.782  -9.821
  646    H    ASP  87           HN       ASP  87 166.540  12.175 -10.788
  647    HA   ASP  87           HA       ASP  87 166.942  13.484 -13.263
  648   1HB   ASP  87          HB2       ASP  87 169.316  12.376 -11.883
  649   2HB   ASP  87          HB1       ASP  87 169.161  11.994 -13.595
  650    H    THR  88           HN       THR  88 168.257  10.354 -12.322
  651    HA   THR  88           HA       THR  88 166.096   9.060 -13.852
  652    HB   THR  88           HB       THR  88 168.750   7.730 -13.600
  653    HG1  THR  88           1HG      THR  88 169.621   8.922 -15.230
  654   1HG2  THR  88          1HG2      THR  88 168.119   7.370 -16.120
  655   2HG2  THR  88          2HG2      THR  88 166.498   7.741 -15.532
  656   3HG2  THR  88          3HG2      THR  88 167.397   6.388 -14.845
  657    H    LYS  89           HN       LYS  89 165.366   7.027 -13.119
  658    HA   LYS  89           HA       LYS  89 166.033   6.466 -10.306
  659   1HB   LYS  89          HB2       LYS  89 163.471   6.592 -11.772
  660   2HB   LYS  89          HB1       LYS  89 163.631   5.253 -10.645
  661   1HG   LYS  89          HG2       LYS  89 162.934   6.675  -9.086
  662   2HG   LYS  89          HG1       LYS  89 164.540   7.400  -9.187
  663   1HD   LYS  89          HD2       LYS  89 163.770   9.037 -10.760
  664   2HD   LYS  89          HD1       LYS  89 162.203   8.236 -10.899
  665   1HE   LYS  89          HE2       LYS  89 163.245   9.357  -8.309
  666   2HE   LYS  89          HE1       LYS  89 162.282  10.305  -9.442
  667   1HZ   LYS  89          HZ1       LYS  89 161.480   8.065  -7.738
  668   2HZ   LYS  89          HZ2       LYS  89 160.707   8.230  -9.233
  669   3HZ   LYS  89          HZ3       LYS  89 160.649   9.492  -8.108
  670    H    ILE  90           HN       ILE  90 165.740   4.173  -9.646
  671    HA   ILE  90           HA       ILE  90 166.103   2.252 -11.821
  672    HB   ILE  90           HB       ILE  90 168.081   1.294 -10.971
  673   1HG1  ILE  90          2HG1      ILE  90 167.805   3.104  -8.559
  674   2HG1  ILE  90          1HG1      ILE  90 167.536   1.363  -8.577
  675   1HG2  ILE  90          1HG2      ILE  90 168.238   4.295 -10.887
  676   2HG2  ILE  90          2HG2      ILE  90 168.612   3.221 -12.237
  677   3HG2  ILE  90          3HG2      ILE  90 169.660   3.255 -10.817
  678   1HD1  ILE  90          HD11      ILE  90 169.958   1.183  -9.359
  679   2HD1  ILE  90          HD12      ILE  90 169.666   1.627  -7.679
  680   3HD1  ILE  90          HD13      ILE  90 170.110   2.865  -8.851
  681    H    GLU  91           HN       GLU  91 166.148  -0.050 -10.908
  682    HA   GLU  91           HA       GLU  91 163.815  -0.369  -9.270
  683   1HB   GLU  91          HB2       GLU  91 165.625  -2.166 -10.802
  684   2HB   GLU  91          HB1       GLU  91 164.685  -2.883  -9.501
  685   1HG   GLU  91          HG2       GLU  91 163.269  -1.155 -11.452
  686   2HG   GLU  91          HG1       GLU  91 163.785  -2.758 -11.976
  687    H    VAL  92           HN       VAL  92 163.660  -1.028  -7.187
  688    HA   VAL  92           HA       VAL  92 165.608  -0.439  -5.340
  689    HB   VAL  92           HB       VAL  92 164.214  -2.549  -4.129
  690   1HG1  VAL  92          1HG1      VAL  92 162.802  -0.425  -3.345
  691   2HG1  VAL  92          2HG1      VAL  92 164.170   0.405  -4.087
  692   3HG1  VAL  92          3HG1      VAL  92 164.442  -0.749  -2.781
  693   1HG2  VAL  92          1HG2      VAL  92 162.291  -0.937  -5.797
  694   2HG2  VAL  92          2HG2      VAL  92 161.908  -2.243  -4.675
  695   3HG2  VAL  92          3HG2      VAL  92 162.774  -2.592  -6.171
  696    H    ALA  93           HN       ALA  93 164.906  -3.648  -6.724
  697    HA   ALA  93           HA       ALA  93 166.807  -5.102  -5.282
  698   1HB   ALA  93          HB1       ALA  93 166.468  -5.962  -8.063
  699   2HB   ALA  93          HB2       ALA  93 164.956  -5.708  -7.192
  700   3HB   ALA  93          HB3       ALA  93 166.161  -6.831  -6.559
  701    H    GLN  94           HN       GLN  94 167.103  -3.766  -8.574
  702    HA   GLN  94           HA       GLN  94 169.822  -4.325  -8.916
  703   1HB   GLN  94          HB2       GLN  94 167.790  -3.099 -10.402
  704   2HB   GLN  94          HB1       GLN  94 169.033  -1.867 -10.238
  705   1HG   GLN  94          HG2       GLN  94 169.701  -4.645 -11.128
  706   2HG   GLN  94          HG1       GLN  94 169.121  -3.425 -12.262
  707   1HE2  GLN  94          1HE2      GLN  94 171.583  -3.969  -9.779
  708   2HE2  GLN  94          2HE2      GLN  94 172.815  -3.033 -10.547
  709    H    PHE  95           HN       PHE  95 168.169  -1.765  -7.244
  710    HA   PHE  95           HA       PHE  95 170.338   0.042  -7.047
  711   1HB   PHE  95          HB2       PHE  95 168.007   0.729  -6.665
  712   2HB   PHE  95          HB1       PHE  95 167.943  -0.287  -5.229
  713    HD1  PHE  95           HD1      PHE  95 168.806   2.912  -6.555
  714    HD2  PHE  95           HD2      PHE  95 169.494   0.254  -3.307
  715    HE1  PHE  95           HE1      PHE  95 169.653   4.781  -5.214
  716    HE2  PHE  95           HE2      PHE  95 170.337   2.126  -1.951
  717    HZ   PHE  95           HZ       PHE  95 170.414   4.395  -2.904
  718    H    VAL  96           HN       VAL  96 169.226  -2.635  -5.072
  719    HA   VAL  96           HA       VAL  96 171.000  -2.182  -2.898
  720    HB   VAL  96           HB       VAL  96 169.797  -4.826  -3.729
  721   1HG1  VAL  96          1HG1      VAL  96 170.262  -5.594  -1.621
  722   2HG1  VAL  96          2HG1      VAL  96 170.275  -3.978  -0.915
  723   3HG1  VAL  96          3HG1      VAL  96 171.639  -4.526  -1.890
  724   1HG2  VAL  96          1HG2      VAL  96 167.814  -3.820  -3.452
  725   2HG2  VAL  96          2HG2      VAL  96 168.534  -2.406  -2.682
  726   3HG2  VAL  96          3HG2      VAL  96 168.197  -3.852  -1.731
  727    H    LYS  97           HN       LYS  97 171.054  -4.525  -5.573
  728    HA   LYS  97           HA       LYS  97 173.544  -5.650  -5.078
  729   1HB   LYS  97          HB2       LYS  97 172.244  -5.154  -7.763
  730   2HB   LYS  97          HB1       LYS  97 173.555  -6.284  -7.456
  731   1HG   LYS  97          HG2       LYS  97 172.161  -7.863  -6.747
  732   2HG   LYS  97          HG1       LYS  97 171.284  -6.737  -5.709
  733   1HD   LYS  97          HD2       LYS  97 170.087  -5.909  -7.730
  734   2HD   LYS  97          HD1       LYS  97 170.878  -7.180  -8.665
  735   1HE   LYS  97          HE2       LYS  97 169.877  -8.681  -6.706
  736   2HE   LYS  97          HE1       LYS  97 168.708  -7.363  -6.651
  737   1HZ   LYS  97          HZ1       LYS  97 168.325  -9.392  -8.205
  738   2HZ   LYS  97          HZ2       LYS  97 169.378  -8.571  -9.243
  739   3HZ   LYS  97          HZ3       LYS  97 167.941  -7.834  -8.742
  740    H    ASP  98           HN       ASP  98 172.739  -2.788  -7.054
  741    HA   ASP  98           HA       ASP  98 175.374  -2.284  -7.863
  742   1HB   ASP  98          HB2       ASP  98 172.833  -0.811  -7.946
  743   2HB   ASP  98          HB1       ASP  98 174.280   0.193  -7.959
  744    H    LEU  99           HN       LEU  99 173.504  -1.227  -5.219
  745    HA   LEU  99           HA       LEU  99 175.158   0.648  -4.043
  746   1HB   LEU  99          HB2       LEU  99 173.171   0.497  -2.979
  747   2HB   LEU  99          HB1       LEU  99 173.029  -1.206  -3.389
  748    HG   LEU  99           HG       LEU  99 174.877  -1.353  -1.413
  749   1HD1  LEU  99          HD11      LEU  99 173.062   0.869  -0.520
  750   2HD1  LEU  99          HD12      LEU  99 174.697   1.144  -1.121
  751   3HD1  LEU  99          HD13      LEU  99 174.443   0.180   0.333
  752   1HD2  LEU  99          HD21      LEU  99 173.003  -1.926   0.086
  753   2HD2  LEU  99          HD22      LEU  99 172.856  -2.666  -1.508
  754   3HD2  LEU  99          HD23      LEU  99 171.883  -1.253  -1.099
  755    H    LEU 100           HN       LEU 100 175.198  -2.868  -3.999
  756    HA   LEU 100           HA       LEU 100 177.364  -3.156  -2.149
  757   1HB   LEU 100          HB2       LEU 100 175.914  -5.009  -2.318
  758   2HB   LEU 100          HB1       LEU 100 175.957  -4.992  -4.065
  759    HG   LEU 100           HG       LEU 100 178.180  -5.906  -4.097
  760   1HD1  LEU 100          HD11      LEU 100 179.634  -5.858  -2.404
  761   2HD1  LEU 100          HD12      LEU 100 178.437  -6.414  -1.237
  762   3HD1  LEU 100          HD13      LEU 100 178.527  -4.705  -1.662
  763   1HD2  LEU 100          HD21      LEU 100 177.606  -8.040  -3.587
  764   2HD2  LEU 100          HD22      LEU 100 176.010  -7.301  -3.457
  765   3HD2  LEU 100          HD23      LEU 100 176.961  -7.608  -2.004
  766    H    LEU 101           HN       LEU 101 177.005  -2.867  -5.602
  767    HA   LEU 101           HA       LEU 101 179.480  -3.704  -6.527
  768   1HB   LEU 101          HB2       LEU 101 177.659  -3.100  -8.001
  769   2HB   LEU 101          HB1       LEU 101 177.707  -1.451  -7.453
  770    HG   LEU 101           HG       LEU 101 178.808  -2.289  -9.757
  771   1HD1  LEU 101          HD11      LEU 101 178.489   0.043  -8.596
  772   2HD1  LEU 101          HD12      LEU 101 179.612  -0.155  -9.943
  773   3HD1  LEU 101          HD13      LEU 101 180.219  -0.119  -8.288
  774   1HD2  LEU 101          HD21      LEU 101 180.478  -3.599  -8.250
  775   2HD2  LEU 101          HD22      LEU 101 181.226  -2.018  -8.032
  776   3HD2  LEU 101          HD23      LEU 101 181.074  -2.704  -9.648
  777    H    HIS 102           HN       HIS 102 178.515  -0.383  -5.884
  778    HA   HIS 102           HA       HIS 102 181.163   0.636  -6.001
  779   1HB   HIS 102          HB2       HIS 102 178.928   1.866  -6.390
  780   2HB   HIS 102          HB1       HIS 102 178.877   2.041  -4.639
  781    HD2  HIS 102           HD2      HIS 102 181.924   2.839  -4.062
  782    HE1  HIS 102           HE1      HIS 102 181.244   5.906  -6.895
  783    HE2  HIS 102           HE2      HIS 102 182.626   5.198  -4.890
  784    H    LEU 103           HN       LEU 103 179.011  -0.095  -3.251
  785    HA   LEU 103           HA       LEU 103 180.607   0.914  -1.227
  786   1HB   LEU 103          HB2       LEU 103 178.549  -1.219  -1.390
  787   2HB   LEU 103          HB1       LEU 103 179.529  -1.142   0.059
  788    HG   LEU 103           HG       LEU 103 178.041   1.252  -0.990
  789   1HD1  LEU 103          HD11      LEU 103 176.365  -0.395  -0.621
  790   2HD1  LEU 103          HD12      LEU 103 176.341   0.713   0.750
  791   3HD1  LEU 103          HD13      LEU 103 177.090  -0.876   0.912
  792   1HD2  LEU 103          HD21      LEU 103 179.974   0.979   0.964
  793   2HD2  LEU 103          HD22      LEU 103 178.461   0.985   1.870
  794   3HD2  LEU 103          HD23      LEU 103 178.846   2.323   0.788
  795    H    LYS 104           HN       LYS 104 180.685  -2.356  -2.648
  796    HA   LYS 104           HA       LYS 104 182.788  -3.258  -0.964
  797   1HB   LYS 104          HB2       LYS 104 182.869  -5.208  -2.348
  798   2HB   LYS 104          HB1       LYS 104 181.182  -4.750  -2.171
  799   1HG   LYS 104          HG2       LYS 104 181.529  -3.514  -4.409
  800   2HG   LYS 104          HG1       LYS 104 182.951  -4.544  -4.569
  801   1HD   LYS 104          HD2       LYS 104 180.090  -5.433  -4.227
  802   2HD   LYS 104          HD1       LYS 104 181.073  -5.574  -5.685
  803   1HE   LYS 104          HE2       LYS 104 181.731  -6.902  -3.060
  804   2HE   LYS 104          HE1       LYS 104 180.861  -7.689  -4.376
  805   1HZ   LYS 104          HZ1       LYS 104 183.684  -6.913  -4.216
  806   2HZ   LYS 104          HZ2       LYS 104 182.937  -6.913  -5.733
  807   3HZ   LYS 104          HZ3       LYS 104 182.990  -8.334  -4.818
  808    H    LYS 105           HN       LYS 105 182.728  -2.015  -4.318
  809    HA   LYS 105           HA       LYS 105 185.440  -2.354  -4.853
  810   1HB   LYS 105          HB2       LYS 105 183.187  -1.013  -6.032
  811   2HB   LYS 105          HB1       LYS 105 184.618  -0.001  -6.167
  812   1HG   LYS 105          HG2       LYS 105 185.551  -1.336  -7.696
  813   2HG   LYS 105          HG1       LYS 105 185.110  -2.794  -6.803
  814   1HD   LYS 105          HD2       LYS 105 182.927  -2.805  -7.731
  815   2HD   LYS 105          HD1       LYS 105 183.145  -1.198  -8.428
  816   1HE   LYS 105          HE2       LYS 105 184.878  -3.529  -9.200
  817   2HE   LYS 105          HE1       LYS 105 183.344  -3.196 -10.004
  818   1HZ   LYS 105          HZ1       LYS 105 185.348  -1.057  -9.752
  819   2HZ   LYS 105          HZ2       LYS 105 184.142  -1.261 -10.920
  820   3HZ   LYS 105          HZ3       LYS 105 185.528  -2.230 -10.959
  821    H    LEU 106           HN       LEU 106 183.825   0.050  -2.925
  822    HA   LEU 106           HA       LEU 106 186.096   1.829  -2.865
  823   1HB   LEU 106          HB2       LEU 106 183.331   1.992  -2.203
  824   2HB   LEU 106          HB1       LEU 106 184.262   2.432  -0.784
  825    HG   LEU 106           HG       LEU 106 185.399   4.185  -2.015
  826   1HD1  LEU 106          HD11      LEU 106 183.925   3.026  -4.353
  827   2HD1  LEU 106          HD12      LEU 106 185.645   3.378  -4.189
  828   3HD1  LEU 106          HD13      LEU 106 184.486   4.698  -4.354
  829   1HD2  LEU 106          HD21      LEU 106 182.441   4.353  -2.557
  830   2HD2  LEU 106          HD22      LEU 106 183.565   5.689  -2.317
  831   3HD2  LEU 106          HD23      LEU 106 183.174   4.614  -0.975
  832    H    PHE 107           HN       PHE 107 184.324   0.057  -0.367
  833    HA   PHE 107           HA       PHE 107 186.142   0.386   1.696
  834   1HB   PHE 107          HB2       PHE 107 183.745  -0.933   1.412
  835   2HB   PHE 107          HB1       PHE 107 184.866  -2.263   1.682
  836    HD1  PHE 107           HD1      PHE 107 186.085  -2.451   3.781
  837    HD2  PHE 107           HD2      PHE 107 183.277   0.678   3.127
  838    HE1  PHE 107           HE1      PHE 107 186.047  -1.985   6.196
  839    HE2  PHE 107           HE2      PHE 107 183.233   1.149   5.541
  840    HZ   PHE 107           HZ       PHE 107 184.619  -0.183   7.079
  841    H    ARG 108           HN       ARG 108 186.340  -1.608  -1.106
  842    HA   ARG 108           HA       ARG 108 188.501  -3.228  -0.009
  843   1HB   ARG 108          HB2       ARG 108 186.671  -4.146  -1.523
  844   2HB   ARG 108          HB1       ARG 108 187.449  -3.272  -2.834
  845   1HG   ARG 108          HG2       ARG 108 189.572  -4.590  -1.901
  846   2HG   ARG 108          HG1       ARG 108 188.303  -5.715  -1.410
  847   1HD   ARG 108          HD2       ARG 108 188.340  -4.619  -4.191
  848   2HD   ARG 108          HD1       ARG 108 189.413  -5.947  -3.755
  849    HE   ARG 108           HE       ARG 108 186.568  -6.067  -4.123
  850   1HH1  ARG 108          HH11      ARG 108 189.308  -7.555  -2.555
  851   2HH1  ARG 108          HH12      ARG 108 188.543  -9.102  -2.410
  852   1HH2  ARG 108          HH21      ARG 108 185.561  -8.101  -3.934
  853   2HH2  ARG 108          HH22      ARG 108 186.417  -9.413  -3.193
  854    H    GLU 109           HN       GLU 109 187.967  -0.775  -2.518
  855    HA   GLU 109           HA       GLU 109 190.564  -0.758  -3.574
  856   1HB   GLU 109          HB2       GLU 109 188.287   1.161  -3.549
  857   2HB   GLU 109          HB1       GLU 109 189.866   1.768  -4.027
  858   1HG   GLU 109          HG2       GLU 109 189.085  -0.743  -5.318
  859   2HG   GLU 109          HG1       GLU 109 188.062   0.640  -5.705
  860    H    GLY 110           HN       GLY 110 189.310   0.535  -0.614
  861   1HA   GLY 110          HA2       GLY 110 191.316   0.855   0.959
  862   2HA   GLY 110          HA1       GLY 110 191.793   2.071  -0.213
  863    H    ARG 111           HN       ARG 111 188.476   2.126  -0.088
  864    HA   ARG 111           HA       ARG 111 188.524   4.480   1.608
  865   1HB   ARG 111          HB2       ARG 111 186.593   3.339  -0.384
  866   2HB   ARG 111          HB1       ARG 111 186.069   4.564   0.755
  867   1HG   ARG 111          HG2       ARG 111 188.538   5.308  -0.550
  868   2HG   ARG 111          HG1       ARG 111 187.249   4.984  -1.709
  869   1HD   ARG 111          HD2       ARG 111 187.150   6.899   0.617
  870   2HD   ARG 111          HD1       ARG 111 187.234   7.324  -1.092
  871    HE   ARG 111           HE       ARG 111 184.960   5.703  -0.451
  872   1HH1  ARG 111          HH11      ARG 111 186.194   8.967  -0.495
  873   2HH1  ARG 111          HH12      ARG 111 184.625   9.692  -0.601
  874   1HH2  ARG 111          HH21      ARG 111 182.895   6.655  -0.590
  875   2HH2  ARG 111          HH22      ARG 111 182.752   8.379  -0.654
  876    H    PHE 112           HN       PHE 112 188.925   2.185   3.005
  877    HA   PHE 112           HA       PHE 112 186.441   1.323   4.207
  878   1HB   PHE 112          HB2       PHE 112 187.658  -0.428   5.003
  879   2HB   PHE 112          HB1       PHE 112 188.752   0.058   3.721
  880    HD1  PHE 112           HD1      PHE 112 188.117   0.330   7.336
  881    HD2  PHE 112           HD2      PHE 112 190.912   0.809   4.171
  882    HE1  PHE 112           HE1      PHE 112 189.921   0.637   8.988
  883    HE2  PHE 112           HE2      PHE 112 192.727   1.117   5.811
  884    HZ   PHE 112           HZ       PHE 112 192.230   1.031   8.223
  885    H    ASN 113           HN       ASN 113 189.178   3.365   4.879
  886    HA   ASN 113           HA       ASN 113 189.610   4.911   6.495
  887   1HB   ASN 113          HB2       ASN 113 187.260   5.613   5.741
  888   2HB   ASN 113          HB1       ASN 113 186.683   4.830   7.209
  889   1HD2  ASN 113          HD21      ASN 113 188.665   7.413   5.935
  890   2HD2  ASN 113          HD22      ASN 113 188.669   8.377   7.369
  Start of MODEL    7
    1   1H    GLY   1          HT1       GLY   1 178.402 -13.372  24.365
    2   2H    GLY   1          HT2       GLY   1 179.847 -13.528  25.231
    3   3H    GLY   1          HT3       GLY   1 179.790 -12.551  23.852
    4   1HA   GLY   1          HA1       GLY   1 177.866 -11.410  25.285
    5   2HA   GLY   1          HA2       GLY   1 178.916 -11.995  26.567
    6    H    GLY   2           HN       GLY   2 178.736  -9.930  23.723
    7   1HA   GLY   2          HA2       GLY   2 180.275  -7.881  24.845
    8   2HA   GLY   2          HA1       GLY   2 181.347  -8.872  23.867
    9    HA   PRO   3           HA       PRO   3 178.601  -5.600  21.472
   10   1HB   PRO   3          HB2       PRO   3 181.240  -4.224  21.346
   11   2HB   PRO   3          HB1       PRO   3 179.617  -3.537  21.484
   12   1HG   PRO   3          HG2       PRO   3 181.239  -3.618  23.594
   13   2HG   PRO   3          HG1       PRO   3 179.501  -3.929  23.768
   14   1HD   PRO   3          HD2       PRO   3 181.783  -5.855  23.769
   15   2HD   PRO   3          HD1       PRO   3 180.279  -5.885  24.711
   16    H    VAL   4           HN       VAL   4 181.791  -7.019  21.181
   17    HA   VAL   4           HA       VAL   4 182.891  -8.006  19.459
   18    HB   VAL   4           HB       VAL   4 180.136  -8.024  18.237
   19   1HG1  VAL   4          1HG1      VAL   4 180.964  -9.720  16.697
   20   2HG1  VAL   4          2HG1      VAL   4 182.582  -9.570  17.381
   21   3HG1  VAL   4          3HG1      VAL   4 181.866  -8.218  16.504
   22   1HG2  VAL   4          1HG2      VAL   4 180.706 -10.590  18.869
   23   2HG2  VAL   4          2HG2      VAL   4 179.825  -9.482  19.920
   24   3HG2  VAL   4          3HG2      VAL   4 181.554  -9.736  20.157
   25    HA   PRO   5           HA       PRO   5 183.978  -4.488  16.955
   26   1HB   PRO   5          HB2       PRO   5 185.881  -5.662  15.421
   27   2HB   PRO   5          HB1       PRO   5 186.151  -5.222  17.111
   28   1HG   PRO   5          HG2       PRO   5 185.464  -7.888  15.934
   29   2HG   PRO   5          HG1       PRO   5 186.650  -7.493  17.192
   30   1HD   PRO   5          HD2       PRO   5 184.204  -8.500  17.765
   31   2HD   PRO   5          HD1       PRO   5 185.046  -7.369  18.843
   32    HA   PRO   6           HA       PRO   6 181.261  -5.605  13.483
   33   1HB   PRO   6          HB2       PRO   6 180.607  -3.066  12.813
   34   2HB   PRO   6          HB1       PRO   6 179.855  -3.916  14.168
   35   1HG   PRO   6          HG2       PRO   6 182.079  -1.912  14.190
   36   2HG   PRO   6          HG1       PRO   6 180.675  -2.035  15.266
   37   1HD   PRO   6          HD2       PRO   6 183.139  -2.932  15.960
   38   2HD   PRO   6          HD1       PRO   6 181.642  -3.686  16.545
   39    H    SER   7           HN       SER   7 183.750  -6.070  12.826
   40    HA   SER   7           HA       SER   7 184.676  -4.148  10.844
   41   1HB   SER   7          HB2       SER   7 186.706  -5.354  10.796
   42   2HB   SER   7          HB1       SER   7 186.202  -5.412  12.485
   43    HG   SER   7           HG       SER   7 185.403  -7.501  12.115
   44    H    THR   8           HN       THR   8 183.367  -7.411  11.033
   45    HA   THR   8           HA       THR   8 183.702  -8.120   8.333
   46    HB   THR   8           HB       THR   8 181.518  -9.037  10.212
   47    HG1  THR   8           1HG      THR   8 184.130 -10.070   9.825
   48   1HG2  THR   8          1HG2      THR   8 181.716  -9.659   7.599
   49   2HG2  THR   8          2HG2      THR   8 181.053 -10.734   8.830
   50   3HG2  THR   8          3HG2      THR   8 182.730 -10.913   8.312
   51    H    ALA   9           HN       ALA   9 181.224  -6.290  10.001
   52    HA   ALA   9           HA       ALA   9 179.216  -6.297   8.071
   53   1HB   ALA   9          HB1       ALA   9 178.268  -4.497   9.209
   54   2HB   ALA   9          HB2       ALA   9 179.837  -3.862   9.706
   55   3HB   ALA   9          HB3       ALA   9 179.202  -5.329  10.452
   56    H    LEU  10           HN       LEU  10 182.240  -4.574   8.184
   57    HA   LEU  10           HA       LEU  10 181.603  -2.652   6.176
   58   1HB   LEU  10          HB2       LEU  10 183.365  -2.155   7.714
   59   2HB   LEU  10          HB1       LEU  10 184.212  -3.638   7.318
   60    HG   LEU  10           HG       LEU  10 184.507  -2.688   4.976
   61   1HD1  LEU  10          HD11      LEU  10 182.861  -0.969   4.960
   62   2HD1  LEU  10          HD12      LEU  10 184.441  -0.189   4.892
   63   3HD1  LEU  10          HD13      LEU  10 183.540  -0.223   6.407
   64   1HD2  LEU  10          HD21      LEU  10 186.283  -1.007   5.873
   65   2HD2  LEU  10          HD22      LEU  10 186.450  -2.729   6.217
   66   3HD2  LEU  10          HD23      LEU  10 185.812  -1.641   7.450
   67    H    ARG  11           HN       ARG  11 183.479  -5.681   6.142
   68    HA   ARG  11           HA       ARG  11 184.164  -5.681   3.450
   69   1HB   ARG  11          HB2       ARG  11 184.579  -8.025   3.667
   70   2HB   ARG  11          HB1       ARG  11 185.006  -7.272   5.197
   71   1HG   ARG  11          HG2       ARG  11 183.478  -8.438   6.332
   72   2HG   ARG  11          HG1       ARG  11 182.245  -8.217   5.091
   73   1HD   ARG  11          HD2       ARG  11 183.872  -9.908   3.799
   74   2HD   ARG  11          HD1       ARG  11 184.207 -10.399   5.459
   75    HE   ARG  11           HE       ARG  11 181.404 -10.203   4.865
   76   1HH1  ARG  11          HH11      ARG  11 184.211 -12.272   4.726
   77   2HH1  ARG  11          HH12      ARG  11 183.287 -13.736   4.720
   78   1HH2  ARG  11          HH21      ARG  11 180.186 -12.128   4.858
   79   2HH2  ARG  11          HH22      ARG  11 181.002 -13.655   4.794
   80    H    GLU  12           HN       GLU  12 181.115  -6.252   4.964
   81    HA   GLU  12           HA       GLU  12 179.871  -7.718   2.887
   82   1HB   GLU  12          HB2       GLU  12 178.951  -6.198   5.276
   83   2HB   GLU  12          HB1       GLU  12 177.764  -6.561   4.031
   84   1HG   GLU  12          HG2       GLU  12 178.709  -8.984   4.248
   85   2HG   GLU  12          HG1       GLU  12 179.260  -8.410   5.821
   86    H    LEU  13           HN       LEU  13 179.614  -4.250   3.762
   87    HA   LEU  13           HA       LEU  13 178.137  -3.582   1.438
   88   1HB   LEU  13          HB2       LEU  13 179.360  -2.182   3.703
   89   2HB   LEU  13          HB1       LEU  13 179.328  -1.239   2.225
   90    HG   LEU  13           HG       LEU  13 176.773  -2.500   2.667
   91   1HD1  LEU  13          HD11      LEU  13 176.251  -2.048   4.781
   92   2HD1  LEU  13          HD12      LEU  13 177.010  -0.458   4.717
   93   3HD1  LEU  13          HD13      LEU  13 177.984  -1.888   5.062
   94   1HD2  LEU  13          HD21      LEU  13 177.655   0.380   2.548
   95   2HD2  LEU  13          HD22      LEU  13 175.988  -0.186   2.451
   96   3HD2  LEU  13          HD23      LEU  13 177.139  -0.611   1.184
   97    H    ILE  14           HN       ILE  14 181.547  -3.727   2.177
   98    HA   ILE  14           HA       ILE  14 182.472  -2.242  -0.040
   99    HB   ILE  14           HB       ILE  14 183.668  -3.951   2.036
  100   1HG1  ILE  14          2HG1      ILE  14 185.320  -2.113   2.058
  101   2HG1  ILE  14          1HG1      ILE  14 184.538  -1.409   0.647
  102   1HG2  ILE  14          1HG2      ILE  14 184.913  -3.732  -0.689
  103   2HG2  ILE  14          2HG2      ILE  14 184.643  -5.175   0.287
  104   3HG2  ILE  14          3HG2      ILE  14 185.870  -4.003   0.768
  105   1HD1  ILE  14          HD11      ILE  14 182.656  -0.785   1.853
  106   2HD1  ILE  14          HD12      ILE  14 183.990  -0.458   2.960
  107   3HD1  ILE  14          HD13      ILE  14 183.007  -1.908   3.166
  108    H    GLU  15           HN       GLU  15 182.400  -5.777   0.497
  109    HA   GLU  15           HA       GLU  15 183.226  -6.403  -2.134
  110   1HB   GLU  15          HB2       GLU  15 181.692  -8.205  -0.264
  111   2HB   GLU  15          HB1       GLU  15 182.754  -8.688  -1.580
  112   1HG   GLU  15          HG2       GLU  15 183.883  -7.028   0.606
  113   2HG   GLU  15          HG1       GLU  15 183.547  -8.729   0.927
  114    H    GLU  16           HN       GLU  16 180.045  -5.975  -0.703
  115    HA   GLU  16           HA       GLU  16 178.582  -7.138  -2.836
  116   1HB   GLU  16          HB2       GLU  16 177.858  -6.583  -0.420
  117   2HB   GLU  16          HB1       GLU  16 177.539  -4.975  -1.039
  118   1HG   GLU  16          HG2       GLU  16 175.738  -5.642  -2.245
  119   2HG   GLU  16          HG1       GLU  16 176.387  -7.257  -2.525
  120    H    LEU  17           HN       LEU  17 179.309  -3.774  -1.978
  121    HA   LEU  17           HA       LEU  17 178.040  -2.665  -4.252
  122   1HB   LEU  17          HB2       LEU  17 180.015  -1.596  -2.253
  123   2HB   LEU  17          HB1       LEU  17 179.427  -0.634  -3.591
  124    HG   LEU  17           HG       LEU  17 178.315  -0.493  -1.210
  125   1HD1  LEU  17          HD11      LEU  17 177.467   0.035  -3.886
  126   2HD1  LEU  17          HD12      LEU  17 177.086   0.909  -2.403
  127   3HD1  LEU  17          HD13      LEU  17 176.075  -0.442  -2.914
  128   1HD2  LEU  17          HD21      LEU  17 176.279  -1.890  -1.104
  129   2HD2  LEU  17          HD22      LEU  17 177.765  -2.828  -0.965
  130   3HD2  LEU  17          HD23      LEU  17 176.870  -2.812  -2.485
  131    H    VAL  18           HN       VAL  18 181.207  -3.915  -3.563
  132    HA   VAL  18           HA       VAL  18 182.446  -2.743  -5.825
  133    HB   VAL  18           HB       VAL  18 183.431  -3.981  -3.616
  134   1HG1  VAL  18          1HG1      VAL  18 182.821  -6.199  -4.713
  135   2HG1  VAL  18          2HG1      VAL  18 184.459  -6.024  -4.084
  136   3HG1  VAL  18          3HG1      VAL  18 184.159  -5.878  -5.817
  137   1HG2  VAL  18          1HG2      VAL  18 185.269  -3.992  -5.908
  138   2HG2  VAL  18          2HG2      VAL  18 185.407  -3.194  -4.341
  139   3HG2  VAL  18          3HG2      VAL  18 184.417  -2.476  -5.612
  140    H    ASN  19           HN       ASN  19 180.750  -5.682  -5.126
  141    HA   ASN  19           HA       ASN  19 181.375  -7.118  -7.471
  142   1HB   ASN  19          HB2       ASN  19 180.294  -7.962  -5.290
  143   2HB   ASN  19          HB1       ASN  19 178.777  -7.379  -5.970
  144   1HD2  ASN  19          HD21      ASN  19 177.686  -8.682  -7.267
  145   2HD2  ASN  19          HD22      ASN  19 178.292 -10.139  -7.970
  146    H    ILE  20           HN       ILE  20 178.531  -5.103  -6.627
  147    HA   ILE  20           HA       ILE  20 177.278  -5.382  -9.127
  148    HB   ILE  20           HB       ILE  20 175.900  -3.526  -8.447
  149   1HG1  ILE  20          2HG1      ILE  20 178.040  -3.092  -6.393
  150   2HG1  ILE  20          1HG1      ILE  20 177.357  -1.925  -7.525
  151   1HG2  ILE  20          1HG2      ILE  20 174.773  -4.743  -6.940
  152   2HG2  ILE  20          2HG2      ILE  20 176.151  -4.831  -5.842
  153   3HG2  ILE  20          3HG2      ILE  20 176.049  -5.929  -7.218
  154   1HD1  ILE  20          HD11      ILE  20 176.215  -2.966  -4.964
  155   2HD1  ILE  20          HD12      ILE  20 175.175  -2.263  -6.202
  156   3HD1  ILE  20          HD13      ILE  20 176.465  -1.299  -5.483
  157    H    THR  21           HN       THR  21 179.539  -2.976  -7.861
  158    HA   THR  21           HA       THR  21 179.392  -1.345 -10.228
  159    HB   THR  21           HB       THR  21 179.842  -0.424  -7.957
  160    HG1  THR  21           1HG      THR  21 181.919   0.055  -9.825
  161   1HG2  THR  21          1HG2      THR  21 181.697  -2.377  -7.662
  162   2HG2  THR  21          2HG2      THR  21 181.624  -0.899  -6.703
  163   3HG2  THR  21          3HG2      THR  21 182.704  -0.996  -8.094
  164    H    GLN  22           HN       GLN  22 180.875  -4.266  -9.681
  165    HA   GLN  22           HA       GLN  22 183.012  -3.634 -11.613
  166   1HB   GLN  22          HB2       GLN  22 183.013  -5.644  -9.362
  167   2HB   GLN  22          HB1       GLN  22 184.235  -5.597 -10.624
  168   1HG   GLN  22          HG2       GLN  22 183.791  -3.030  -9.297
  169   2HG   GLN  22          HG1       GLN  22 184.390  -4.305  -8.237
  170   1HE2  GLN  22          1HE2      GLN  22 186.310  -3.019  -8.055
  171   2HE2  GLN  22          2HE2      GLN  22 187.519  -3.091  -9.287
  172    H    ASN  23           HN       ASN  23 180.477  -5.872 -10.704
  173    HA   ASN  23           HA       ASN  23 180.969  -8.016 -12.341
  174   1HB   ASN  23          HB2       ASN  23 178.628  -6.865 -11.048
  175   2HB   ASN  23          HB1       ASN  23 178.220  -7.700 -12.543
  176   1HD2  ASN  23          HD21      ASN  23 179.956  -8.047  -9.513
  177   2HD2  ASN  23          HD22      ASN  23 179.717  -9.748  -9.358
  178    H    GLN  24           HN       GLN  24 178.339  -5.904 -13.400
  179    HA   GLN  24           HA       GLN  24 179.434  -6.076 -16.122
  180   1HB   GLN  24          HB2       GLN  24 176.707  -6.245 -15.018
  181   2HB   GLN  24          HB1       GLN  24 176.877  -5.378 -16.540
  182   1HG   GLN  24          HG2       GLN  24 177.700  -8.209 -15.964
  183   2HG   GLN  24          HG1       GLN  24 176.383  -7.664 -16.991
  184   1HE2  GLN  24          1HE2      GLN  24 179.717  -8.332 -16.780
  185   2HE2  GLN  24          2HE2      GLN  24 180.135  -7.941 -18.411
  186    H    LYS  25           HN       LYS  25 180.027  -4.270 -17.138
  187    HA   LYS  25           HA       LYS  25 179.989  -1.758 -15.833
  188   1HB   LYS  25          HB2       LYS  25 181.417  -2.830 -17.899
  189   2HB   LYS  25          HB1       LYS  25 180.344  -1.733 -18.758
  190   1HG   LYS  25          HG2       LYS  25 181.992  -0.260 -18.349
  191   2HG   LYS  25          HG1       LYS  25 181.171  -0.104 -16.795
  192   1HD   LYS  25          HD2       LYS  25 182.732  -2.117 -16.139
  193   2HD   LYS  25          HD1       LYS  25 183.713  -1.506 -17.472
  194   1HE   LYS  25          HE2       LYS  25 184.244   0.420 -16.380
  195   2HE   LYS  25          HE1       LYS  25 182.720   0.467 -15.496
  196   1HZ   LYS  25          HZ1       LYS  25 184.845  -0.041 -14.204
  197   2HZ   LYS  25          HZ2       LYS  25 184.762  -1.580 -14.899
  198   3HZ   LYS  25          HZ3       LYS  25 183.499  -1.027 -13.919
  199    H    ALA  26           HN       ALA  26 177.961  -3.259 -18.261
  200    HA   ALA  26           HA       ALA  26 176.536  -1.085 -19.201
  201   1HB   ALA  26          HB1       ALA  26 174.873  -3.441 -18.800
  202   2HB   ALA  26          HB2       ALA  26 176.434  -3.818 -19.529
  203   3HB   ALA  26          HB3       ALA  26 175.365  -2.642 -20.293
  204    HA   PRO  27           HA       PRO  27 173.727   0.058 -15.996
  205   1HB   PRO  27          HB2       PRO  27 171.425   0.527 -17.141
  206   2HB   PRO  27          HB1       PRO  27 172.871   1.384 -17.706
  207   1HG   PRO  27          HG2       PRO  27 171.671  -1.129 -18.747
  208   2HG   PRO  27          HG1       PRO  27 172.014   0.345 -19.673
  209   1HD   PRO  27          HD2       PRO  27 173.704  -1.757 -19.637
  210   2HD   PRO  27          HD1       PRO  27 174.320  -0.091 -19.665
  211    H    LEU  28           HN       LEU  28 171.539  -0.319 -14.941
  212    HA   LEU  28           HA       LEU  28 171.076  -3.222 -14.813
  213   1HB   LEU  28          HB2       LEU  28 171.808  -1.629 -12.789
  214   2HB   LEU  28          HB1       LEU  28 170.070  -1.426 -12.676
  215    HG   LEU  28           HG       LEU  28 169.777  -3.828 -12.385
  216   1HD1  LEU  28          HD11      LEU  28 172.736  -3.880 -12.858
  217   2HD1  LEU  28          HD12      LEU  28 171.470  -4.835 -13.631
  218   3HD1  LEU  28          HD13      LEU  28 171.925  -5.162 -11.958
  219   1HD2  LEU  28          HD21      LEU  28 171.944  -3.262 -10.451
  220   2HD2  LEU  28          HD22      LEU  28 170.292  -3.818 -10.178
  221   3HD2  LEU  28          HD23      LEU  28 170.606  -2.115 -10.514
  222    H    CYS  29           HN       CYS  29 169.275  -3.915 -15.732
  223    HA   CYS  29           HA       CYS  29 167.133  -4.039 -16.483
  224   1HB   CYS  29          HB2       CYS  29 166.920  -2.261 -14.111
  225   2HB   CYS  29          HB1       CYS  29 165.543  -2.300 -15.207
  226    H    ASN  30           HN       ASN  30 168.189  -3.066 -18.421
  227    HA   ASN  30           HA       ASN  30 167.984  -1.792 -20.277
  228   1HB   ASN  30          HB2       ASN  30 165.606  -1.790 -20.001
  229   2HB   ASN  30          HB1       ASN  30 165.703  -0.586 -18.727
  230   1HD2  ASN  30          HD21      ASN  30 164.417   0.915 -19.703
  231   2HD2  ASN  30          HD22      ASN  30 164.861   1.759 -21.143
  232    H    GLY  31           HN       GLY  31 167.529   0.244 -17.423
  233   1HA   GLY  31          HA2       GLY  31 169.659   1.554 -16.906
  234   2HA   GLY  31          HA1       GLY  31 169.484   2.135 -18.555
  235    H    SER  32           HN       SER  32 167.047   1.630 -16.023
  236    HA   SER  32           HA       SER  32 165.851   4.179 -16.576
  237   1HB   SER  32          HB2       SER  32 165.283   2.200 -14.359
  238   2HB   SER  32          HB1       SER  32 164.270   3.576 -14.792
  239    HG   SER  32           HG       SER  32 164.327   1.122 -15.872
  240    H    MET  33           HN       MET  33 166.822   5.990 -15.914
  241    HA   MET  33           HA       MET  33 168.699   6.213 -13.881
  242   1HB   MET  33          HB2       MET  33 166.873   8.444 -14.756
  243   2HB   MET  33          HB1       MET  33 168.521   8.558 -14.170
  244   1HG   MET  33          HG2       MET  33 169.217   7.274 -16.223
  245   2HG   MET  33          HG1       MET  33 167.579   7.532 -16.819
  246   1HE   MET  33          HE1       MET  33 171.006  10.069 -15.964
  247   2HE   MET  33          HE2       MET  33 171.034   9.719 -17.692
  248   3HE   MET  33          HE3       MET  33 170.902   8.401 -16.528
  249    H    VAL  34           HN       VAL  34 168.469   7.566 -11.894
  250    HA   VAL  34           HA       VAL  34 165.839   7.557 -10.658
  251    HB   VAL  34           HB       VAL  34 166.776   6.432  -8.593
  252   1HG1  VAL  34          1HG1      VAL  34 165.425   5.410 -10.690
  253   2HG1  VAL  34          2HG1      VAL  34 165.831   4.490  -9.241
  254   3HG1  VAL  34          3HG1      VAL  34 166.839   4.356 -10.682
  255   1HG2  VAL  34          1HG2      VAL  34 168.715   4.898 -10.145
  256   2HG2  VAL  34          2HG2      VAL  34 168.843   5.580  -8.524
  257   3HG2  VAL  34          3HG2      VAL  34 169.166   6.590  -9.933
  258    H    TRP  35           HN       TRP  35 166.016   8.541  -8.376
  259    HA   TRP  35           HA       TRP  35 167.380  11.010  -8.632
  260   1HB   TRP  35          HB2       TRP  35 166.300   9.931  -6.044
  261   2HB   TRP  35          HB1       TRP  35 166.502  11.599  -6.542
  262    HD1  TRP  35           HD1      TRP  35 163.903   9.186  -6.088
  263    HE1  TRP  35           HE1      TRP  35 161.810   9.830  -7.390
  264    HE3  TRP  35           HE3      TRP  35 165.909  12.703  -9.203
  265    HZ2  TRP  35           HZ2      TRP  35 161.059  11.583  -9.477
  266    HZ3  TRP  35           HZ3      TRP  35 164.433  13.819 -10.826
  267    HH2  TRP  35           HH2      TRP  35 162.058  13.270 -10.959
  268    H    SER  36           HN       SER  36 169.439  11.186  -8.529
  269    HA   SER  36           HA       SER  36 171.393   9.547  -7.644
  270   1HB   SER  36          HB2       SER  36 171.404  12.038  -8.657
  271   2HB   SER  36          HB1       SER  36 171.862  12.403  -6.993
  272    HG   SER  36           HG       SER  36 173.776  11.747  -7.515
  273    H    ILE  37           HN       ILE  37 172.822   9.587  -5.742
  274    HA   ILE  37           HA       ILE  37 171.509   9.114  -3.380
  275    HB   ILE  37           HB       ILE  37 174.395   9.943  -3.660
  276   1HG1  ILE  37          2HG1      ILE  37 173.764   8.152  -5.301
  277   2HG1  ILE  37          1HG1      ILE  37 174.935   7.627  -4.099
  278   1HG2  ILE  37          1HG2      ILE  37 172.768   8.520  -1.645
  279   2HG2  ILE  37          2HG2      ILE  37 173.967   9.793  -1.431
  280   3HG2  ILE  37          3HG2      ILE  37 174.481   8.148  -1.804
  281   1HD1  ILE  37          HD11      ILE  37 172.487   6.436  -4.763
  282   2HD1  ILE  37          HD12      ILE  37 172.301   7.099  -3.138
  283   3HD1  ILE  37          HD13      ILE  37 173.613   5.972  -3.488
  284    H    ASN  38           HN       ASN  38 171.781  10.229  -1.326
  285    HA   ASN  38           HA       ASN  38 171.637  13.147  -1.655
  286   1HB   ASN  38          HB2       ASN  38 169.733  11.569  -0.602
  287   2HB   ASN  38          HB1       ASN  38 170.680  11.867   0.852
  288   1HD2  ASN  38          HD21      ASN  38 169.734  13.832  -1.949
  289   2HD2  ASN  38          HD22      ASN  38 169.064  15.129  -1.025
  290    H    LEU  39           HN       LEU  39 174.064  12.865  -1.671
  291    HA   LEU  39           HA       LEU  39 175.359  12.252   0.805
  292   1HB   LEU  39          HB2       LEU  39 176.388  13.514  -1.726
  293   2HB   LEU  39          HB1       LEU  39 177.392  13.042  -0.364
  294    HG   LEU  39           HG       LEU  39 175.824  10.794  -1.033
  295   1HD1  LEU  39          HD11      LEU  39 176.296  10.404  -3.329
  296   2HD1  LEU  39          HD12      LEU  39 177.224  11.901  -3.449
  297   3HD1  LEU  39          HD13      LEU  39 175.479  11.962  -3.193
  298   1HD2  LEU  39          HD21      LEU  39 178.720  11.516  -1.298
  299   2HD2  LEU  39          HD22      LEU  39 178.101   9.910  -1.687
  300   3HD2  LEU  39          HD23      LEU  39 177.930  10.551  -0.051
  301    H    THR  40           HN       THR  40 173.755  13.832   1.710
  302    HA   THR  40           HA       THR  40 175.226  16.218   2.447
  303    HB   THR  40           HB       THR  40 173.502  17.794   1.917
  304    HG1  THR  40           1HG      THR  40 171.520  17.237   1.354
  305   1HG2  THR  40          1HG2      THR  40 173.407  17.772  -0.458
  306   2HG2  THR  40          2HG2      THR  40 173.723  16.038  -0.511
  307   3HG2  THR  40          3HG2      THR  40 174.984  17.148   0.026
  308    H    ALA  41           HN       ALA  41 172.168  14.440   2.764
  309    HA   ALA  41           HA       ALA  41 172.366  14.781   5.674
  310   1HB   ALA  41          HB1       ALA  41 169.712  14.831   5.447
  311   2HB   ALA  41          HB2       ALA  41 170.129  15.583   3.907
  312   3HB   ALA  41          HB3       ALA  41 170.695  16.296   5.418
  313    H    GLY  42           HN       GLY  42 169.846  13.292   3.669
  314   1HA   GLY  42          HA2       GLY  42 170.436  10.735   5.016
  315   2HA   GLY  42          HA1       GLY  42 168.863  11.201   4.394
  316    H    MET  43           HN       MET  43 172.121  10.261   3.481
  317    HA   MET  43           HA       MET  43 171.513   9.958   0.702
  318   1HB   MET  43          HB2       MET  43 173.730   8.970   0.525
  319   2HB   MET  43          HB1       MET  43 173.792  10.430   1.500
  320   1HG   MET  43          HG2       MET  43 173.635   8.906   3.521
  321   2HG   MET  43          HG1       MET  43 173.964   7.579   2.409
  322   1HE   MET  43          HE1       MET  43 176.412  10.878   4.029
  323   2HE   MET  43          HE2       MET  43 174.834  11.044   3.260
  324   3HE   MET  43          HE3       MET  43 176.305  11.280   2.316
  325    H    TYR  44           HN       TYR  44 171.757   7.768   3.467
  326    HA   TYR  44           HA       TYR  44 171.550   5.333   2.140
  327   1HB   TYR  44          HB2       TYR  44 170.603   6.193   4.872
  328   2HB   TYR  44          HB1       TYR  44 170.486   4.529   4.311
  329    HD1  TYR  44           HD1      TYR  44 172.675   3.396   3.553
  330    HD2  TYR  44           HD2      TYR  44 172.562   6.957   5.878
  331    HE1  TYR  44           HE1      TYR  44 174.986   2.984   4.285
  332    HE2  TYR  44           HE2      TYR  44 174.873   6.556   6.615
  333    HH   TYR  44           HH       TYR  44 176.960   4.632   5.163
  334    H    CYS  45           HN       CYS  45 168.901   7.213   3.620
  335    HA   CYS  45           HA       CYS  45 166.819   5.599   2.675
  336   1HB   CYS  45          HB2       CYS  45 166.919   8.493   3.507
  337   2HB   CYS  45          HB1       CYS  45 165.421   7.725   2.993
  338    H    ALA  46           HN       ALA  46 168.783   7.908   1.056
  339    HA   ALA  46           HA       ALA  46 166.955   8.573  -1.033
  340   1HB   ALA  46          HB1       ALA  46 169.849   8.723  -1.591
  341   2HB   ALA  46          HB2       ALA  46 169.273   9.652  -0.207
  342   3HB   ALA  46          HB3       ALA  46 168.585   9.934  -1.807
  343    H    ALA  47           HN       ALA  47 169.773   6.397  -0.884
  344    HA   ALA  47           HA       ALA  47 169.358   5.344  -3.492
  345   1HB   ALA  47          HB1       ALA  47 170.991   4.350  -1.165
  346   2HB   ALA  47          HB2       ALA  47 171.555   5.260  -2.566
  347   3HB   ALA  47          HB3       ALA  47 170.994   3.599  -2.760
  348    H    LEU  48           HN       LEU  48 168.093   4.558  -0.349
  349    HA   LEU  48           HA       LEU  48 167.217   1.923  -1.035
  350   1HB   LEU  48          HB2       LEU  48 167.688   2.404   1.259
  351   2HB   LEU  48          HB1       LEU  48 166.613   3.787   1.253
  352    HG   LEU  48           HG       LEU  48 164.686   2.261   0.951
  353   1HD1  LEU  48          HD11      LEU  48 165.748  -0.183   1.812
  354   2HD1  LEU  48          HD12      LEU  48 166.785   0.354   0.491
  355   3HD1  LEU  48          HD13      LEU  48 165.048   0.193   0.237
  356   1HD2  LEU  48          HD21      LEU  48 164.676   2.662   3.151
  357   2HD2  LEU  48          HD22      LEU  48 166.416   2.419   3.297
  358   3HD2  LEU  48          HD23      LEU  48 165.328   1.032   3.312
  359    H    GLU  49           HN       GLU  49 165.756   5.125  -0.773
  360    HA   GLU  49           HA       GLU  49 163.136   4.280  -1.289
  361   1HB   GLU  49          HB2       GLU  49 162.556   6.574  -1.527
  362   2HB   GLU  49          HB1       GLU  49 163.789   6.483  -0.277
  363   1HG   GLU  49          HG2       GLU  49 164.521   8.272  -1.487
  364   2HG   GLU  49          HG1       GLU  49 165.410   6.970  -2.254
  365    H    SER  50           HN       SER  50 165.661   5.569  -3.430
  366    HA   SER  50           HA       SER  50 164.032   5.453  -5.764
  367   1HB   SER  50          HB2       SER  50 166.442   5.533  -6.853
  368   2HB   SER  50          HB1       SER  50 165.749   6.950  -6.067
  369    HG   SER  50           HG       SER  50 167.697   5.154  -5.090
  370    H    LEU  51           HN       LEU  51 166.503   3.264  -4.410
  371    HA   LEU  51           HA       LEU  51 166.521   1.473  -6.582
  372   1HB   LEU  51          HB2       LEU  51 167.273   1.193  -3.687
  373   2HB   LEU  51          HB1       LEU  51 167.433  -0.123  -4.822
  374    HG   LEU  51           HG       LEU  51 168.782   2.543  -5.180
  375   1HD1  LEU  51          HD11      LEU  51 169.991   1.854  -3.401
  376   2HD1  LEU  51          HD12      LEU  51 170.801   0.876  -4.625
  377   3HD1  LEU  51          HD13      LEU  51 169.545   0.161  -3.613
  378   1HD2  LEU  51          HD21      LEU  51 169.826   0.091  -6.428
  379   2HD2  LEU  51          HD22      LEU  51 169.692   1.727  -7.072
  380   3HD2  LEU  51          HD23      LEU  51 168.282   0.668  -7.055
  381    H    ILE  52           HN       ILE  52 164.655   1.524  -3.570
  382    HA   ILE  52           HA       ILE  52 163.452  -0.978  -3.793
  383    HB   ILE  52           HB       ILE  52 163.372   0.503  -1.787
  384   1HG1  ILE  52          2HG1      ILE  52 161.853  -1.525  -2.279
  385   2HG1  ILE  52          1HG1      ILE  52 161.405  -0.450  -0.961
  386   1HG2  ILE  52          1HG2      ILE  52 161.002   1.903  -2.118
  387   2HG2  ILE  52          2HG2      ILE  52 161.902   2.204  -3.603
  388   3HG2  ILE  52          3HG2      ILE  52 162.628   2.576  -2.043
  389   1HD1  ILE  52          HD11      ILE  52 159.830  -1.268  -3.117
  390   2HD1  ILE  52          HD12      ILE  52 160.187   0.435  -3.400
  391   3HD1  ILE  52          HD13      ILE  52 159.438  -0.069  -1.886
  392    H    ASN  53           HN       ASN  53 162.844   1.939  -5.545
  393    HA   ASN  53           HA       ASN  53 160.210   1.210  -6.423
  394   1HB   ASN  53          HB2       ASN  53 162.076   3.453  -6.857
  395   2HB   ASN  53          HB1       ASN  53 161.012   3.094  -8.214
  396   1HD2  ASN  53          HD21      ASN  53 160.353   2.716  -4.772
  397   2HD2  ASN  53          HD22      ASN  53 159.057   3.858  -4.711
  398    H    VAL  54           HN       VAL  54 163.397   0.389  -7.378
  399    HA   VAL  54           HA       VAL  54 163.076  -0.025 -10.128
  400    HB   VAL  54           HB       VAL  54 164.806  -1.580  -8.194
  401   1HG1  VAL  54          1HG1      VAL  54 164.639  -2.860 -10.187
  402   2HG1  VAL  54          2HG1      VAL  54 166.182  -2.009 -10.262
  403   3HG1  VAL  54          3HG1      VAL  54 164.808  -1.427 -11.201
  404   1HG2  VAL  54          1HG2      VAL  54 165.432   0.691  -8.050
  405   2HG2  VAL  54          2HG2      VAL  54 165.277   0.925  -9.791
  406   3HG2  VAL  54          3HG2      VAL  54 166.596  -0.053  -9.146
  407    H    SER  55           HN       SER  55 162.349  -1.719 -11.347
  408    HA   SER  55           HA       SER  55 161.268  -4.066  -9.963
  409   1HB   SER  55          HB2       SER  55 159.274  -3.865 -11.621
  410   2HB   SER  55          HB1       SER  55 159.277  -2.855 -10.176
  411    HG   SER  55           HG       SER  55 160.326  -1.967 -12.648
  412    H    GLY  56           HN       GLY  56 161.340  -5.961 -11.126
  413   1HA   GLY  56          HA2       GLY  56 161.717  -7.351 -12.958
  414   2HA   GLY  56          HA1       GLY  56 162.012  -5.928 -13.946
  415    H    CYS  57           HN       CYS  57 163.681  -6.318 -10.923
  416    HA   CYS  57           HA       CYS  57 166.088  -7.245 -12.316
  417   1HB   CYS  57          HB2       CYS  57 165.630  -4.650 -11.029
  418   2HB   CYS  57          HB1       CYS  57 167.068  -5.475 -10.449
  419    H    SER  58           HN       SER  58 165.196  -6.151  -9.052
  420    HA   SER  58           HA       SER  58 165.279  -7.153  -7.021
  421   1HB   SER  58          HB2       SER  58 164.106  -8.979  -8.662
  422   2HB   SER  58          HB1       SER  58 165.468  -9.913  -8.037
  423    HG   SER  58           HG       SER  58 164.708  -9.684  -6.003
  424    H    ALA  59           HN       ALA  59 167.792  -6.876  -8.881
  425    HA   ALA  59           HA       ALA  59 169.583  -8.755  -7.557
  426   1HB   ALA  59          HB1       ALA  59 169.936  -6.792  -9.801
  427   2HB   ALA  59          HB2       ALA  59 170.079  -8.549  -9.841
  428   3HB   ALA  59          HB3       ALA  59 171.312  -7.582  -9.031
  429    H    ILE  60           HN       ILE  60 168.948  -5.313  -7.775
  430    HA   ILE  60           HA       ILE  60 171.052  -4.522  -6.018
  431    HB   ILE  60           HB       ILE  60 169.663  -2.352  -5.981
  432   1HG1  ILE  60          2HG1      ILE  60 168.410  -2.999  -8.513
  433   2HG1  ILE  60          1HG1      ILE  60 167.793  -4.020  -7.220
  434   1HG2  ILE  60          1HG2      ILE  60 171.554  -2.185  -7.249
  435   2HG2  ILE  60          2HG2      ILE  60 170.328  -2.001  -8.503
  436   3HG2  ILE  60          3HG2      ILE  60 171.122  -3.558  -8.267
  437   1HD1  ILE  60          HD11      ILE  60 167.970  -1.220  -6.475
  438   2HD1  ILE  60          HD12      ILE  60 166.639  -2.365  -6.317
  439   3HD1  ILE  60          HD13      ILE  60 166.901  -1.523  -7.844
  440    H    GLU  61           HN       GLU  61 167.914  -5.798  -5.561
  441    HA   GLU  61           HA       GLU  61 166.795  -4.676  -3.400
  442   1HB   GLU  61          HB2       GLU  61 166.994  -7.428  -4.390
  443   2HB   GLU  61          HB1       GLU  61 166.603  -7.311  -2.681
  444   1HG   GLU  61          HG2       GLU  61 164.921  -5.463  -3.778
  445   2HG   GLU  61          HG1       GLU  61 164.982  -6.704  -5.029
  446    H    LYS  62           HN       LYS  62 169.683  -6.682  -3.322
  447    HA   LYS  62           HA       LYS  62 169.944  -6.972  -0.555
  448   1HB   LYS  62          HB2       LYS  62 171.798  -7.074  -2.875
  449   2HB   LYS  62          HB1       LYS  62 172.525  -6.884  -1.286
  450   1HG   LYS  62          HG2       LYS  62 170.519  -9.042  -1.814
  451   2HG   LYS  62          HG1       LYS  62 172.223  -9.251  -2.226
  452   1HD   LYS  62          HD2       LYS  62 172.418 -10.003  -0.117
  453   2HD   LYS  62          HD1       LYS  62 172.390  -8.293   0.318
  454   1HE   LYS  62          HE2       LYS  62 170.681  -8.897   1.646
  455   2HE   LYS  62          HE1       LYS  62 169.738  -8.828   0.158
  456   1HZ   LYS  62          HZ1       LYS  62 169.668 -10.932   1.656
  457   2HZ   LYS  62          HZ2       LYS  62 171.111 -11.326   0.867
  458   3HZ   LYS  62          HZ3       LYS  62 169.695 -11.097  -0.028
  459    H    THR  63           HN       THR  63 171.183  -4.459  -2.721
  460    HA   THR  63           HA       THR  63 172.476  -2.914  -0.761
  461    HB   THR  63           HB       THR  63 171.298  -2.164  -3.443
  462    HG1  THR  63           1HG      THR  63 173.033  -3.509  -3.669
  463   1HG2  THR  63          1HG2      THR  63 172.559  -0.141  -3.411
  464   2HG2  THR  63          2HG2      THR  63 173.234  -0.527  -1.828
  465   3HG2  THR  63          3HG2      THR  63 171.515  -0.168  -1.990
  466    H    GLN  64           HN       GLN  64 169.146  -3.050  -1.863
  467    HA   GLN  64           HA       GLN  64 168.223  -0.667  -0.699
  468   1HB   GLN  64          HB2       GLN  64 166.930  -3.226  -1.540
  469   2HB   GLN  64          HB1       GLN  64 166.003  -2.093  -0.569
  470   1HG   GLN  64          HG2       GLN  64 165.485  -1.013  -2.422
  471   2HG   GLN  64          HG1       GLN  64 167.182  -0.562  -2.587
  472   1HE2  GLN  64          1HE2      GLN  64 164.632  -2.559  -3.729
  473   2HE2  GLN  64          2HE2      GLN  64 165.489  -3.282  -5.042
  474    H    ARG  65           HN       ARG  65 168.222  -3.994   0.567
  475    HA   ARG  65           HA       ARG  65 167.111  -3.438   3.032
  476   1HB   ARG  65          HB2       ARG  65 168.768  -5.634   1.921
  477   2HB   ARG  65          HB1       ARG  65 168.613  -5.544   3.670
  478   1HG   ARG  65          HG2       ARG  65 166.175  -5.439   1.949
  479   2HG   ARG  65          HG1       ARG  65 166.952  -6.984   2.301
  480   1HD   ARG  65          HD2       ARG  65 166.777  -6.462   4.719
  481   2HD   ARG  65          HD1       ARG  65 165.886  -4.998   4.304
  482    HE   ARG  65           HE       ARG  65 164.026  -6.278   3.958
  483   1HH1  ARG  65          HH11      ARG  65 166.827  -8.359   3.947
  484   2HH1  ARG  65          HH12      ARG  65 165.898  -9.819   3.892
  485   1HH2  ARG  65          HH21      ARG  65 162.802  -8.197   3.886
  486   2HH2  ARG  65          HH22      ARG  65 163.612  -9.728   3.857
  487    H    MET  66           HN       MET  66 170.556  -3.773   2.174
  488    HA   MET  66           HA       MET  66 171.634  -3.200   4.659
  489   1HB   MET  66          HB2       MET  66 173.687  -2.905   3.545
  490   2HB   MET  66          HB1       MET  66 172.796  -4.046   2.555
  491   1HG   MET  66          HG2       MET  66 172.340  -2.436   0.921
  492   2HG   MET  66          HG1       MET  66 172.834  -1.110   1.964
  493   1HE   MET  66          HE1       MET  66 176.076  -4.174   0.910
  494   2HE   MET  66          HE2       MET  66 174.399  -4.532   0.497
  495   3HE   MET  66          HE3       MET  66 174.860  -4.295   2.182
  496    H    LEU  67           HN       LEU  67 170.479  -1.047   2.146
  497    HA   LEU  67           HA       LEU  67 171.491   1.351   3.278
  498   1HB   LEU  67          HB2       LEU  67 169.378   0.715   1.240
  499   2HB   LEU  67          HB1       LEU  67 169.651   2.357   1.780
  500    HG   LEU  67           HG       LEU  67 171.756   0.611   0.508
  501   1HD1  LEU  67          HD11      LEU  67 170.155   1.056  -1.171
  502   2HD1  LEU  67          HD12      LEU  67 171.460   2.216  -1.413
  503   3HD1  LEU  67          HD13      LEU  67 169.958   2.727  -0.643
  504   1HD2  LEU  67          HD21      LEU  67 173.080   2.109   1.531
  505   2HD2  LEU  67          HD22      LEU  67 171.769   3.265   1.770
  506   3HD2  LEU  67          HD23      LEU  67 172.582   3.164   0.208
  507    H    SER  68           HN       SER  68 168.463  -0.427   3.538
  508    HA   SER  68           HA       SER  68 166.963   1.477   4.933
  509   1HB   SER  68          HB2       SER  68 166.121  -0.695   3.923
  510   2HB   SER  68          HB1       SER  68 166.772  -1.508   5.345
  511    HG   SER  68           HG       SER  68 164.958   0.655   5.527
  512    H    GLY  69           HN       GLY  69 169.129  -1.061   6.062
  513   1HA   GLY  69          HA2       GLY  69 168.794  -0.918   8.770
  514   2HA   GLY  69          HA1       GLY  69 170.342  -1.231   8.006
  515    H    PHE  70           HN       PHE  70 170.286   1.433   6.688
  516    HA   PHE  70           HA       PHE  70 171.112   3.016   9.024
  517   1HB   PHE  70          HB2       PHE  70 172.046   2.975   6.164
  518   2HB   PHE  70          HB1       PHE  70 172.373   4.353   7.210
  519    HD1  PHE  70           HD1      PHE  70 172.491   0.647   7.658
  520    HD2  PHE  70           HD2      PHE  70 174.541   4.365   7.937
  521    HE1  PHE  70           HE1      PHE  70 174.465  -0.514   8.558
  522    HE2  PHE  70           HE2      PHE  70 176.520   3.211   8.837
  523    HZ   PHE  70           HZ       PHE  70 176.483   0.768   9.148
  524    H    CYS  71           HN       CYS  71 168.976   2.907   6.304
  525    HA   CYS  71           HA       CYS  71 168.318   5.468   5.720
  526   1HB   CYS  71          HB2       CYS  71 167.252   3.438   4.765
  527   2HB   CYS  71          HB1       CYS  71 166.315   3.266   6.242
  528    HA   PRO  72           HA       PRO  72 167.623   7.124   9.911
  529   1HB   PRO  72          HB2       PRO  72 166.563   9.472   8.704
  530   2HB   PRO  72          HB1       PRO  72 168.164   9.255   9.411
  531   1HG   PRO  72          HG2       PRO  72 167.316   9.119   6.575
  532   2HG   PRO  72          HG1       PRO  72 168.882   9.581   7.263
  533   1HD   PRO  72          HD2       PRO  72 168.542   7.234   6.022
  534   2HD   PRO  72          HD1       PRO  72 169.587   7.377   7.452
  535    H    HIS  73           HN       HIS  73 165.304   8.028   7.398
  536    HA   HIS  73           HA       HIS  73 163.115   7.433   9.254
  537   1HB   HIS  73          HB2       HIS  73 162.883   8.815   6.581
  538   2HB   HIS  73          HB1       HIS  73 161.729   8.832   7.911
  539    HD1  HIS  73           HD1      HIS  73 162.640  10.114  10.141
  540    HD2  HIS  73           HD2      HIS  73 164.592  10.924   6.563
  541    HE1  HIS  73           HE1      HIS  73 163.891  12.261  10.529
  542    HE2  HIS  73           HE2      HIS  73 165.133  12.686   8.378
  543    H    LYS  74           HN       LYS  74 161.069   7.037   7.382
  544    HA   LYS  74           HA       LYS  74 161.817   4.399   6.315
  545   1HB   LYS  74          HB2       LYS  74 159.163   5.478   7.262
  546   2HB   LYS  74          HB1       LYS  74 159.328   3.956   6.399
  547   1HG   LYS  74          HG2       LYS  74 160.482   4.658   9.086
  548   2HG   LYS  74          HG1       LYS  74 159.197   3.501   8.737
  549   1HD   LYS  74          HD2       LYS  74 162.072   3.275   7.848
  550   2HD   LYS  74          HD1       LYS  74 161.320   2.369   9.161
  551   1HE   LYS  74          HE2       LYS  74 160.590   0.839   7.729
  552   2HE   LYS  74          HE1       LYS  74 159.736   2.073   6.804
  553   1HZ   LYS  74          HZ1       LYS  74 162.559   1.223   6.451
  554   2HZ   LYS  74          HZ2       LYS  74 161.852   2.528   5.640
  555   3HZ   LYS  74          HZ3       LYS  74 161.276   0.959   5.379
  556    H    VAL  75           HN       VAL  75 161.347   3.846   4.228
  557    HA   VAL  75           HA       VAL  75 159.686   5.394   2.525
  558    HB   VAL  75           HB       VAL  75 161.574   6.946   2.612
  559   1HG1  VAL  75          1HG1      VAL  75 163.203   4.899   2.947
  560   2HG1  VAL  75          2HG1      VAL  75 163.758   6.409   2.223
  561   3HG1  VAL  75          3HG1      VAL  75 163.354   5.034   1.195
  562   1HG2  VAL  75          1HG2      VAL  75 160.240   6.648   0.531
  563   2HG2  VAL  75          2HG2      VAL  75 161.488   5.550  -0.058
  564   3HG2  VAL  75          3HG2      VAL  75 161.877   7.242   0.252
  565    H    SER  76           HN       SER  76 158.785   3.492   1.839
  566    HA   SER  76           HA       SER  76 160.476   1.593   0.440
  567   1HB   SER  76          HB2       SER  76 159.368   0.741   2.507
  568   2HB   SER  76          HB1       SER  76 157.816   1.120   1.759
  569    HG   SER  76           HG       SER  76 158.948  -1.115   1.545
  570    H    ALA  77           HN       ALA  77 157.850   0.570  -0.175
  571    HA   ALA  77           HA       ALA  77 157.309   2.163  -2.587
  572   1HB   ALA  77          HB1       ALA  77 157.453  -0.748  -2.119
  573   2HB   ALA  77          HB2       ALA  77 157.868   0.196  -3.550
  574   3HB   ALA  77          HB3       ALA  77 156.182  -0.195  -3.210
  575    H    GLY  78           HN       GLY  78 156.005   3.344  -0.778
  576   1HA   GLY  78          HA2       GLY  78 153.238   2.683  -1.241
  577   2HA   GLY  78          HA1       GLY  78 153.744   2.455   0.424
  578    H    GLN  79           HN       GLN  79 155.019   4.963  -1.664
  579    HA   GLN  79           HA       GLN  79 153.264   7.031  -0.941
  580   1HB   GLN  79          HB2       GLN  79 154.769   8.259   0.642
  581   2HB   GLN  79          HB1       GLN  79 154.048   6.800   1.307
  582   1HG   GLN  79          HG2       GLN  79 156.180   6.523   2.025
  583   2HG   GLN  79          HG1       GLN  79 156.300   5.721   0.459
  584   1HE2  GLN  79          1HE2      GLN  79 158.007   6.260  -0.677
  585   2HE2  GLN  79          2HE2      GLN  79 158.845   7.769  -0.615
  586    H    PHE  80           HN       PHE  80 153.635   8.797  -2.171
  587    HA   PHE  80           HA       PHE  80 156.049   8.756  -3.836
  588   1HB   PHE  80          HB2       PHE  80 153.257   9.688  -4.232
  589   2HB   PHE  80          HB1       PHE  80 154.521  10.620  -5.026
  590    HD1  PHE  80           HD1      PHE  80 154.714  10.090  -7.242
  591    HD2  PHE  80           HD2      PHE  80 153.921   6.980  -4.448
  592    HE1  PHE  80           HE1      PHE  80 154.786   8.439  -9.065
  593    HE2  PHE  80           HE2      PHE  80 153.992   5.323  -6.265
  594    HZ   PHE  80           HZ       PHE  80 154.425   6.052  -8.578
  595    H    SER  81           HN       SER  81 153.932  11.427  -2.827
  596    HA   SER  81           HA       SER  81 154.390  13.508  -2.031
  597   1HB   SER  81          HB2       SER  81 155.356  11.781  -0.207
  598   2HB   SER  81          HB1       SER  81 156.850  12.619  -0.626
  599    HG   SER  81           HG       SER  81 154.614  13.537   0.715
  600    H    SER  82           HN       SER  82 156.683  14.888  -1.454
  601    HA   SER  82           HA       SER  82 158.356  16.101  -2.397
  602   1HB   SER  82          HB2       SER  82 158.775  13.396  -3.548
  603   2HB   SER  82          HB1       SER  82 159.612  14.736  -4.331
  604    HG   SER  82           HG       SER  82 159.978  13.634  -1.811
  605    H    LEU  83           HN       LEU  83 157.544  14.265  -5.293
  606    HA   LEU  83           HA       LEU  83 156.756  14.886  -7.335
  607   1HB   LEU  83          HB2       LEU  83 155.306  16.726  -5.488
  608   2HB   LEU  83          HB1       LEU  83 155.197  17.012  -7.214
  609    HG   LEU  83           HG       LEU  83 153.308  15.685  -6.324
  610   1HD1  LEU  83          HD11      LEU  83 153.163  14.301  -8.160
  611   2HD1  LEU  83          HD12      LEU  83 154.872  13.872  -8.106
  612   3HD1  LEU  83          HD13      LEU  83 154.381  15.464  -8.685
  613   1HD2  LEU  83          HD21      LEU  83 155.276  13.447  -5.935
  614   2HD2  LEU  83          HD22      LEU  83 153.578  13.512  -5.463
  615   3HD2  LEU  83          HD23      LEU  83 154.767  14.501  -4.615
  616    H    HIS  84           HN       HIS  84 158.751  15.431  -8.211
  617    HA   HIS  84           HA       HIS  84 160.285  16.759  -9.236
  618   1HB   HIS  84          HB2       HIS  84 158.330  19.031  -8.869
  619   2HB   HIS  84          HB1       HIS  84 159.568  18.864 -10.110
  620    HD1  HIS  84           HD1      HIS  84 156.222  19.014 -10.196
  621    HD2  HIS  84           HD2      HIS  84 158.785  15.925 -11.271
  622    HE1  HIS  84           HE1      HIS  84 154.921  17.593 -11.811
  623    HE2  HIS  84           HE2      HIS  84 156.461  15.683 -12.382
  624    H    VAL  85           HN       VAL  85 161.031  16.325  -6.784
  625    HA   VAL  85           HA       VAL  85 161.589  18.912  -5.513
  626    HB   VAL  85           HB       VAL  85 160.573  17.200  -4.067
  627   1HG1  VAL  85          1HG1      VAL  85 161.401  15.188  -5.083
  628   2HG1  VAL  85          2HG1      VAL  85 161.938  15.233  -3.404
  629   3HG1  VAL  85          3HG1      VAL  85 163.066  15.628  -4.700
  630   1HG2  VAL  85          1HG2      VAL  85 162.358  17.235  -2.272
  631   2HG2  VAL  85          2HG2      VAL  85 161.894  18.801  -2.937
  632   3HG2  VAL  85          3HG2      VAL  85 163.397  18.035  -3.452
  633    H    ARG  86           HN       ARG  86 163.105  16.078  -6.908
  634    HA   ARG  86           HA       ARG  86 165.776  16.884  -6.206
  635   1HB   ARG  86          HB2       ARG  86 164.526  14.636  -7.683
  636   2HB   ARG  86          HB1       ARG  86 166.179  15.040  -8.124
  637   1HG   ARG  86          HG2       ARG  86 166.669  13.588  -6.480
  638   2HG   ARG  86          HG1       ARG  86 166.425  15.003  -5.454
  639   1HD   ARG  86          HD2       ARG  86 163.887  14.085  -5.669
  640   2HD   ARG  86          HD1       ARG  86 164.791  12.574  -5.759
  641    HE   ARG  86           HE       ARG  86 165.661  14.236  -3.604
  642   1HH1  ARG  86          HH11      ARG  86 163.220  11.939  -4.576
  643   2HH1  ARG  86          HH12      ARG  86 162.876  11.431  -2.957
  644   1HH2  ARG  86          HH21      ARG  86 165.210  13.568  -1.474
  645   2HH2  ARG  86          HH22      ARG  86 164.005  12.355  -1.196
  646    H    ASP  87           HN       ASP  87 167.342  16.651  -8.320
  647    HA   ASP  87           HA       ASP  87 166.490  18.862 -10.048
  648   1HB   ASP  87          HB2       ASP  87 169.176  17.876  -9.147
  649   2HB   ASP  87          HB1       ASP  87 169.034  18.860 -10.600
  650    H    THR  88           HN       THR  88 168.942  16.406 -10.652
  651    HA   THR  88           HA       THR  88 167.417  15.528 -13.009
  652    HB   THR  88           HB       THR  88 170.060  15.194 -13.742
  653    HG1  THR  88           1HG      THR  88 171.046  17.171 -13.312
  654   1HG2  THR  88          1HG2      THR  88 168.663  15.976 -15.396
  655   2HG2  THR  88          2HG2      THR  88 169.668  17.384 -15.052
  656   3HG2  THR  88          3HG2      THR  88 168.034  17.283 -14.393
  657    H    LYS  89           HN       LYS  89 167.516  13.368 -13.520
  658    HA   LYS  89           HA       LYS  89 168.418  11.618 -11.392
  659   1HB   LYS  89          HB2       LYS  89 166.690  11.335 -13.807
  660   2HB   LYS  89          HB1       LYS  89 167.437   9.887 -13.148
  661   1HG   LYS  89          HG2       LYS  89 166.006   9.801 -11.448
  662   2HG   LYS  89          HG1       LYS  89 166.192  11.520 -11.098
  663   1HD   LYS  89          HD2       LYS  89 164.431  12.122 -12.429
  664   2HD   LYS  89          HD1       LYS  89 164.639  10.743 -13.511
  665   1HE   LYS  89          HE2       LYS  89 163.792  10.280 -10.687
  666   2HE   LYS  89          HE1       LYS  89 162.607  10.848 -11.863
  667   1HZ   LYS  89          HZ1       LYS  89 162.644   8.896 -12.981
  668   2HZ   LYS  89          HZ2       LYS  89 163.089   8.294 -11.465
  669   3HZ   LYS  89          HZ3       LYS  89 164.271   8.580 -12.639
  670    H    ILE  90           HN       ILE  90 169.735   9.728 -11.792
  671    HA   ILE  90           HA       ILE  90 171.602  10.094 -14.044
  672    HB   ILE  90           HB       ILE  90 173.423   9.282 -12.680
  673   1HG1  ILE  90          2HG1      ILE  90 171.509   9.225 -10.339
  674   2HG1  ILE  90          1HG1      ILE  90 171.998   7.789 -11.234
  675   1HG2  ILE  90          1HG2      ILE  90 172.327  11.277 -10.813
  676   2HG2  ILE  90          2HG2      ILE  90 172.338  11.741 -12.515
  677   3HG2  ILE  90          3HG2      ILE  90 173.841  11.274 -11.718
  678   1HD1  ILE  90          HD11      ILE  90 174.091   9.563 -10.081
  679   2HD1  ILE  90          HD12      ILE  90 174.130   7.828 -10.396
  680   3HD1  ILE  90          HD13      ILE  90 173.210   8.456  -9.028
  681    H    GLU  91           HN       GLU  91 172.490   8.207 -14.978
  682    HA   GLU  91           HA       GLU  91 170.739   6.125 -15.437
  683   1HB   GLU  91          HB2       GLU  91 173.629   6.575 -15.905
  684   2HB   GLU  91          HB1       GLU  91 173.081   4.906 -15.981
  685   1HG   GLU  91          HG2       GLU  91 172.070   7.215 -17.622
  686   2HG   GLU  91          HG1       GLU  91 173.055   5.863 -18.180
  687    H    VAL  92           HN       VAL  92 170.233   4.262 -14.471
  688    HA   VAL  92           HA       VAL  92 170.632   3.745 -11.820
  689    HB   VAL  92           HB       VAL  92 170.488   1.168 -12.850
  690   1HG1  VAL  92          1HG1      VAL  92 167.956   1.589 -12.512
  691   2HG1  VAL  92          2HG1      VAL  92 168.469   3.182 -11.955
  692   3HG1  VAL  92          3HG1      VAL  92 169.048   1.733 -11.134
  693   1HG2  VAL  92          1HG2      VAL  92 170.361   2.209 -15.130
  694   2HG2  VAL  92          2HG2      VAL  92 168.837   2.945 -14.635
  695   3HG2  VAL  92          3HG2      VAL  92 168.988   1.189 -14.700
  696    H    ALA  93           HN       ALA  93 172.720   2.765 -14.495
  697    HA   ALA  93           HA       ALA  93 174.409   1.029 -13.070
  698   1HB   ALA  93          HB1       ALA  93 175.488   0.862 -15.021
  699   2HB   ALA  93          HB2       ALA  93 175.798   2.597 -15.091
  700   3HB   ALA  93          HB3       ALA  93 174.262   1.951 -15.668
  701    H    GLN  94           HN       GLN  94 174.976   4.435 -13.959
  702    HA   GLN  94           HA       GLN  94 177.228   4.798 -12.328
  703   1HB   GLN  94          HB2       GLN  94 175.732   6.354 -14.123
  704   2HB   GLN  94          HB1       GLN  94 175.674   7.228 -12.598
  705   1HG   GLN  94          HG2       GLN  94 178.219   6.253 -13.864
  706   2HG   GLN  94          HG1       GLN  94 177.545   7.861 -14.125
  707   1HE2  GLN  94          1HE2      GLN  94 178.903   5.680 -11.747
  708   2HE2  GLN  94          2HE2      GLN  94 179.366   6.896 -10.612
  709    H    PHE  95           HN       PHE  95 173.821   4.843 -11.679
  710    HA   PHE  95           HA       PHE  95 173.826   6.245  -9.247
  711   1HB   PHE  95          HB2       PHE  95 171.796   5.623 -10.609
  712   2HB   PHE  95          HB1       PHE  95 171.968   3.985  -9.985
  713    HD1  PHE  95           HD1      PHE  95 171.506   7.503  -8.946
  714    HD2  PHE  95           HD2      PHE  95 171.064   3.402  -7.912
  715    HE1  PHE  95           HE1      PHE  95 170.248   8.150  -6.945
  716    HE2  PHE  95           HE2      PHE  95 169.793   4.043  -5.904
  717    HZ   PHE  95           HZ       PHE  95 169.382   6.422  -5.417
  718    H    VAL  96           HN       VAL  96 174.090   2.807  -9.974
  719    HA   VAL  96           HA       VAL  96 174.286   1.901  -7.314
  720    HB   VAL  96           HB       VAL  96 175.510   0.626  -9.768
  721   1HG1  VAL  96          1HG1      VAL  96 176.010  -0.118  -7.280
  722   2HG1  VAL  96          2HG1      VAL  96 175.776  -1.297  -8.571
  723   3HG1  VAL  96          3HG1      VAL  96 174.453  -0.923  -7.466
  724   1HG2  VAL  96          1HG2      VAL  96 172.932  -0.367  -8.764
  725   2HG2  VAL  96          2HG2      VAL  96 173.495  -0.139 -10.419
  726   3HG2  VAL  96          3HG2      VAL  96 172.880   1.235  -9.500
  727    H    LYS  97           HN       LYS  97 176.791   2.551  -9.750
  728    HA   LYS  97           HA       LYS  97 179.061   2.040  -8.271
  729   1HB   LYS  97          HB2       LYS  97 178.846   4.409 -10.124
  730   2HB   LYS  97          HB1       LYS  97 180.259   3.420  -9.793
  731   1HG   LYS  97          HG2       LYS  97 177.948   1.999 -10.943
  732   2HG   LYS  97          HG1       LYS  97 178.736   3.177 -11.992
  733   1HD   LYS  97          HD2       LYS  97 180.883   1.893 -10.957
  734   2HD   LYS  97          HD1       LYS  97 179.696   0.588 -10.985
  735   1HE   LYS  97          HE2       LYS  97 180.889   0.553 -13.059
  736   2HE   LYS  97          HE1       LYS  97 179.254   1.134 -13.375
  737   1HZ   LYS  97          HZ1       LYS  97 181.266   3.161 -12.815
  738   2HZ   LYS  97          HZ2       LYS  97 179.991   3.179 -13.927
  739   3HZ   LYS  97          HZ3       LYS  97 181.417   2.346 -14.291
  740    H    ASP  98           HN       ASP  98 177.220   5.092  -8.428
  741    HA   ASP  98           HA       ASP  98 178.865   6.508  -6.672
  742   1HB   ASP  98          HB2       ASP  98 176.136   6.873  -7.736
  743   2HB   ASP  98          HB1       ASP  98 176.525   7.751  -6.259
  744    H    LEU  99           HN       LEU  99 175.854   4.925  -6.127
  745    HA   LEU  99           HA       LEU  99 175.437   5.165  -3.465
  746   1HB   LEU  99          HB2       LEU  99 173.839   3.949  -4.505
  747   2HB   LEU  99          HB1       LEU  99 175.018   3.243  -5.604
  748    HG   LEU  99           HG       LEU  99 175.620   1.854  -3.375
  749   1HD1  LEU  99          HD11      LEU  99 173.773   3.139  -2.177
  750   2HD1  LEU  99          HD12      LEU  99 173.768   1.383  -2.022
  751   3HD1  LEU  99          HD13      LEU  99 172.648   2.173  -3.131
  752   1HD2  LEU  99          HD21      LEU  99 174.368   0.041  -4.290
  753   2HD2  LEU  99          HD22      LEU  99 174.976   1.010  -5.632
  754   3HD2  LEU  99          HD23      LEU  99 173.288   1.146  -5.140
  755    H    LEU 100           HN       LEU 100 177.821   3.187  -5.119
  756    HA   LEU 100           HA       LEU 100 178.720   1.764  -2.809
  757   1HB   LEU 100          HB2       LEU 100 179.069   0.691  -4.879
  758   2HB   LEU 100          HB1       LEU 100 179.772   2.119  -5.598
  759    HG   LEU 100           HG       LEU 100 181.271   0.075  -4.942
  760   1HD1  LEU 100          HD11      LEU 100 183.154   1.509  -4.838
  761   2HD1  LEU 100          HD12      LEU 100 182.188   2.844  -4.210
  762   3HD1  LEU 100          HD13      LEU 100 181.961   2.297  -5.870
  763   1HD2  LEU 100          HD21      LEU 100 180.338   0.686  -2.422
  764   2HD2  LEU 100          HD22      LEU 100 181.930   1.439  -2.456
  765   3HD2  LEU 100          HD23      LEU 100 181.763  -0.283  -2.795
  766    H    LEU 101           HN       LEU 101 179.930   4.568  -4.642
  767    HA   LEU 101           HA       LEU 101 182.301   4.967  -3.254
  768   1HB   LEU 101          HB2       LEU 101 182.330   7.152  -4.076
  769   2HB   LEU 101          HB1       LEU 101 181.480   6.221  -5.278
  770    HG   LEU 101           HG       LEU 101 179.357   7.156  -4.036
  771   1HD1  LEU 101          HD11      LEU 101 180.918   9.602  -3.651
  772   2HD1  LEU 101          HD12      LEU 101 181.215   8.336  -2.460
  773   3HD1  LEU 101          HD13      LEU 101 179.577   8.946  -2.710
  774   1HD2  LEU 101          HD21      LEU 101 180.688   9.239  -5.638
  775   2HD2  LEU 101          HD22      LEU 101 179.095   8.506  -5.824
  776   3HD2  LEU 101          HD23      LEU 101 180.530   7.649  -6.386
  777    H    HIS 102           HN       HIS 102 179.178   6.415  -2.589
  778    HA   HIS 102           HA       HIS 102 179.954   7.725  -0.218
  779   1HB   HIS 102          HB2       HIS 102 177.823   8.516  -0.138
  780   2HB   HIS 102          HB1       HIS 102 177.816   7.944  -1.799
  781    HD2  HIS 102           HD2      HIS 102 176.629   6.604   1.714
  782    HE1  HIS 102           HE1      HIS 102 174.169   5.048  -1.357
  783    HE2  HIS 102           HE2      HIS 102 174.445   5.323   1.148
  784    H    LEU 103           HN       LEU 103 178.197   4.647  -0.675
  785    HA   LEU 103           HA       LEU 103 177.771   4.040   1.989
  786   1HB   LEU 103          HB2       LEU 103 178.091   2.428  -0.490
  787   2HB   LEU 103          HB1       LEU 103 178.082   1.590   1.049
  788    HG   LEU 103           HG       LEU 103 175.889   3.476   0.226
  789   1HD1  LEU 103          HD11      LEU 103 174.653   1.255  -0.191
  790   2HD1  LEU 103          HD12      LEU 103 176.271   0.579  -0.389
  791   3HD1  LEU 103          HD13      LEU 103 175.727   1.887  -1.437
  792   1HD2  LEU 103          HD21      LEU 103 176.506   1.984   2.600
  793   2HD2  LEU 103          HD22      LEU 103 174.975   1.439   1.916
  794   3HD2  LEU 103          HD23      LEU 103 175.208   3.141   2.310
  795    H    LYS 104           HN       LYS 104 180.550   3.048  -0.021
  796    HA   LYS 104           HA       LYS 104 181.932   1.748   2.054
  797   1HB   LYS 104          HB2       LYS 104 183.658   1.463   0.550
  798   2HB   LYS 104          HB1       LYS 104 182.307   1.729  -0.540
  799   1HG   LYS 104          HG2       LYS 104 183.083   4.232  -0.383
  800   2HG   LYS 104          HG1       LYS 104 184.614   3.498   0.092
  801   1HD   LYS 104          HD2       LYS 104 183.074   2.988  -2.450
  802   2HD   LYS 104          HD1       LYS 104 184.595   3.868  -2.296
  803   1HE   LYS 104          HE2       LYS 104 184.179   0.948  -1.660
  804   2HE   LYS 104          HE1       LYS 104 184.935   1.581  -3.121
  805   1HZ   LYS 104          HZ1       LYS 104 185.949   2.018  -0.364
  806   2HZ   LYS 104          HZ2       LYS 104 186.695   2.519  -1.797
  807   3HZ   LYS 104          HZ3       LYS 104 186.557   0.869  -1.448
  808    H    LYS 105           HN       LYS 105 181.955   5.096   0.939
  809    HA   LYS 105           HA       LYS 105 184.149   5.969   2.472
  810   1HB   LYS 105          HB2       LYS 105 182.070   7.159   0.842
  811   2HB   LYS 105          HB1       LYS 105 182.396   8.142   2.262
  812   1HG   LYS 105          HG2       LYS 105 184.432   8.756   1.535
  813   2HG   LYS 105          HG1       LYS 105 184.773   7.175   0.830
  814   1HD   LYS 105          HD2       LYS 105 182.884   7.946  -0.868
  815   2HD   LYS 105          HD1       LYS 105 183.434   9.545  -0.363
  816   1HE   LYS 105          HE2       LYS 105 184.801   9.130  -2.173
  817   2HE   LYS 105          HE1       LYS 105 185.804   8.579  -0.832
  818   1HZ   LYS 105          HZ1       LYS 105 185.946   6.885  -2.396
  819   2HZ   LYS 105          HZ2       LYS 105 184.303   6.958  -2.791
  820   3HZ   LYS 105          HZ3       LYS 105 184.787   6.306  -1.307
  821    H    LEU 106           HN       LEU 106 180.805   5.416   3.273
  822    HA   LEU 106           HA       LEU 106 180.938   6.827   5.778
  823   1HB   LEU 106          HB2       LEU 106 178.876   5.315   4.283
  824   2HB   LEU 106          HB1       LEU 106 178.688   5.408   6.025
  825    HG   LEU 106           HG       LEU 106 178.955   7.956   5.715
  826   1HD1  LEU 106          HD11      LEU 106 178.403   8.860   3.588
  827   2HD1  LEU 106          HD12      LEU 106 178.079   7.260   2.922
  828   3HD1  LEU 106          HD13      LEU 106 179.728   7.722   3.343
  829   1HD2  LEU 106          HD21      LEU 106 176.612   8.216   5.466
  830   2HD2  LEU 106          HD22      LEU 106 176.863   6.675   6.286
  831   3HD2  LEU 106          HD23      LEU 106 176.470   6.705   4.567
  832    H    PHE 107           HN       PHE 107 180.417   3.442   4.896
  833    HA   PHE 107           HA       PHE 107 180.676   2.391   7.467
  834   1HB   PHE 107          HB2       PHE 107 180.159   1.340   4.969
  835   2HB   PHE 107          HB1       PHE 107 181.717   0.625   5.368
  836    HD1  PHE 107           HD1      PHE 107 181.937  -0.621   7.556
  837    HD2  PHE 107           HD2      PHE 107 178.185   0.543   5.922
  838    HE1  PHE 107           HE1      PHE 107 180.807  -2.281   8.979
  839    HE2  PHE 107           HE2      PHE 107 177.048  -1.115   7.341
  840    HZ   PHE 107           HZ       PHE 107 178.359  -2.529   8.872
  841    H    ARG 108           HN       ARG 108 183.058   3.587   5.277
  842    HA   ARG 108           HA       ARG 108 185.244   2.270   6.693
  843   1HB   ARG 108          HB2       ARG 108 185.183   4.107   4.300
  844   2HB   ARG 108          HB1       ARG 108 186.670   3.519   5.029
  845   1HG   ARG 108          HG2       ARG 108 186.149   1.266   4.474
  846   2HG   ARG 108          HG1       ARG 108 184.514   1.708   3.976
  847   1HD   ARG 108          HD2       ARG 108 185.288   2.823   2.055
  848   2HD   ARG 108          HD1       ARG 108 186.949   2.859   2.646
  849    HE   ARG 108           HE       ARG 108 185.696   0.756   1.188
  850   1HH1  ARG 108          HH11      ARG 108 188.093   1.411   3.639
  851   2HH1  ARG 108          HH12      ARG 108 189.001  -0.027   3.312
  852   1HH2  ARG 108          HH21      ARG 108 186.889  -1.136   0.757
  853   2HH2  ARG 108          HH22      ARG 108 188.318  -1.473   1.676
  854    H    GLU 109           HN       GLU 109 183.877   5.506   6.265
  855    HA   GLU 109           HA       GLU 109 185.952   6.818   7.729
  856   1HB   GLU 109          HB2       GLU 109 183.244   7.645   6.739
  857   2HB   GLU 109          HB1       GLU 109 184.163   8.692   7.810
  858   1HG   GLU 109          HG2       GLU 109 185.623   7.653   5.476
  859   2HG   GLU 109          HG1       GLU 109 184.311   8.778   5.130
  860    H    GLY 110           HN       GLY 110 183.212   4.999   8.680
  861   1HA   GLY 110          HA2       GLY 110 183.540   6.020  11.430
  862   2HA   GLY 110          HA1       GLY 110 181.952   5.681  10.766
  863    H    ARG 111           HN       ARG 111 182.767   3.260   9.399
  864    HA   ARG 111           HA       ARG 111 182.978   1.517  11.750
  865   1HB   ARG 111          HB2       ARG 111 181.496   1.343   9.189
  866   2HB   ARG 111          HB1       ARG 111 182.149  -0.165   9.812
  867   1HG   ARG 111          HG2       ARG 111 180.840  -0.088  11.728
  868   2HG   ARG 111          HG1       ARG 111 180.540   1.644  11.566
  869   1HD   ARG 111          HD2       ARG 111 179.510   0.609   9.232
  870   2HD   ARG 111          HD1       ARG 111 179.103  -0.622  10.427
  871    HE   ARG 111           HE       ARG 111 177.501   0.791  11.196
  872   1HH1  ARG 111          HH11      ARG 111 179.992   2.717   9.691
  873   2HH1  ARG 111          HH12      ARG 111 179.163   4.215   9.949
  874   1HH2  ARG 111          HH21      ARG 111 176.409   2.761  11.536
  875   2HH2  ARG 111          HH22      ARG 111 177.130   4.240  10.996
  876    H    PHE 112           HN       PHE 112 185.300   2.592  10.859
  877    HA   PHE 112           HA       PHE 112 186.671   0.801   9.077
  878   1HB   PHE 112          HB2       PHE 112 188.337   2.356   9.107
  879   2HB   PHE 112          HB1       PHE 112 187.037   3.370   9.709
  880    HD1  PHE 112           HD1      PHE 112 187.107   4.320  11.836
  881    HD2  PHE 112           HD2      PHE 112 189.930   1.343  10.733
  882    HE1  PHE 112           HE1      PHE 112 188.409   4.813  13.871
  883    HE2  PHE 112           HE2      PHE 112 191.245   1.824  12.763
  884    HZ   PHE 112           HZ       PHE 112 190.482   3.562  14.335
  885    H    ASN 113           HN       ASN 113 186.400   1.338  12.517
  886    HA   ASN 113           HA       ASN 113 188.407  -0.624  13.194
  887   1HB   ASN 113          HB2       ASN 113 187.655  -0.196  15.537
  888   2HB   ASN 113          HB1       ASN 113 188.136   1.262  14.675
  889   1HD2  ASN 113          HD21      ASN 113 185.414  -0.610  15.830
  890   2HD2  ASN 113          HD22      ASN 113 184.276   0.691  15.832
  Start of MODEL    8
    1   1H    GLY   1          HT1       GLY   1 184.388 -24.494   9.288
    2   2H    GLY   1          HT2       GLY   1 184.864 -26.073   9.661
    3   3H    GLY   1          HT3       GLY   1 184.323 -25.042  10.887
    4   1HA   GLY   1          HA1       GLY   1 182.762 -26.858   9.819
    5   2HA   GLY   1          HA2       GLY   1 182.149 -25.318  10.401
    6    H    GLY   2           HN       GLY   2 180.428 -25.202   8.985
    7   1HA   GLY   2          HA2       GLY   2 180.740 -25.585   6.165
    8   2HA   GLY   2          HA1       GLY   2 179.325 -24.933   6.977
    9    HA   PRO   3           HA       PRO   3 182.099 -21.700   4.618
   10   1HB   PRO   3          HB2       PRO   3 179.673 -21.664   2.894
   11   2HB   PRO   3          HB1       PRO   3 181.375 -21.512   2.445
   12   1HG   PRO   3          HG2       PRO   3 180.048 -23.774   1.988
   13   2HG   PRO   3          HG1       PRO   3 181.738 -23.801   2.526
   14   1HD   PRO   3          HD2       PRO   3 179.244 -24.351   4.075
   15   2HD   PRO   3          HD1       PRO   3 180.838 -25.124   4.189
   16    H    VAL   4           HN       VAL   4 178.761 -22.034   5.623
   17    HA   VAL   4           HA       VAL   4 177.232 -20.570   6.473
   18    HB   VAL   4           HB       VAL   4 179.729 -19.260   7.551
   19   1HG1  VAL   4          1HG1      VAL   4 177.070 -18.400   7.698
   20   2HG1  VAL   4          2HG1      VAL   4 178.436 -17.822   8.652
   21   3HG1  VAL   4          3HG1      VAL   4 177.421 -19.126   9.266
   22   1HG2  VAL   4          1HG2      VAL   4 178.636 -20.710   9.593
   23   2HG2  VAL   4          2HG2      VAL   4 179.988 -21.228   8.586
   24   3HG2  VAL   4          3HG2      VAL   4 178.349 -21.754   8.200
   25    HA   PRO   5           HA       PRO   5 177.679 -17.455   3.117
   26   1HB   PRO   5          HB2       PRO   5 175.053 -17.481   2.424
   27   2HB   PRO   5          HB1       PRO   5 176.221 -18.655   1.807
   28   1HG   PRO   5          HG2       PRO   5 174.248 -18.940   4.041
   29   2HG   PRO   5          HG1       PRO   5 174.659 -20.093   2.757
   30   1HD   PRO   5          HD2       PRO   5 175.652 -20.295   5.267
   31   2HD   PRO   5          HD1       PRO   5 176.571 -20.802   3.834
   32    HA   PRO   6           HA       PRO   6 176.275 -14.100   5.671
   33   1HB   PRO   6          HB2       PRO   6 176.572 -12.062   3.939
   34   2HB   PRO   6          HB1       PRO   6 177.960 -12.905   4.637
   35   1HG   PRO   6          HG2       PRO   6 176.701 -13.239   1.942
   36   2HG   PRO   6          HG1       PRO   6 178.420 -13.172   2.373
   37   1HD   PRO   6          HD2       PRO   6 177.071 -15.502   1.907
   38   2HD   PRO   6          HD1       PRO   6 178.478 -15.383   2.981
   39    H    SER   7           HN       SER   7 174.061 -15.227   5.433
   40    HA   SER   7           HA       SER   7 172.238 -13.906   3.599
   41   1HB   SER   7          HB2       SER   7 170.533 -15.413   4.764
   42   2HB   SER   7          HB1       SER   7 171.808 -16.227   3.857
   43    HG   SER   7           HG       SER   7 172.802 -16.777   5.730
   44    H    THR   8           HN       THR   8 172.567 -14.286   7.123
   45    HA   THR   8           HA       THR   8 170.498 -12.458   7.763
   46    HB   THR   8           HB       THR   8 172.841 -13.267   9.494
   47    HG1  THR   8           1HG      THR   8 171.999 -15.172   9.385
   48   1HG2  THR   8          1HG2      THR   8 170.805 -11.487  10.047
   49   2HG2  THR   8          2HG2      THR   8 171.837 -12.307  11.218
   50   3HG2  THR   8          3HG2      THR   8 170.273 -12.997  10.786
   51    H    ALA   9           HN       ALA   9 173.914 -12.113   7.125
   52    HA   ALA   9           HA       ALA   9 174.190  -9.486   8.185
   53   1HB   ALA   9          HB1       ALA   9 176.235 -10.498   7.993
   54   2HB   ALA   9          HB2       ALA   9 176.223  -9.541   6.512
   55   3HB   ALA   9          HB3       ALA   9 175.836 -11.260   6.453
   56    H    LEU  10           HN       LEU  10 173.477 -10.791   4.982
   57    HA   LEU  10           HA       LEU  10 173.499  -8.257   3.670
   58   1HB   LEU  10          HB2       LEU  10 173.541 -10.857   2.838
   59   2HB   LEU  10          HB1       LEU  10 171.893 -10.399   2.460
   60    HG   LEU  10           HG       LEU  10 172.787  -8.463   1.159
   61   1HD1  LEU  10          HD11      LEU  10 175.446  -9.832   1.523
   62   2HD1  LEU  10          HD12      LEU  10 174.964  -8.345   2.339
   63   3HD1  LEU  10          HD13      LEU  10 175.117  -8.377   0.583
   64   1HD2  LEU  10          HD21      LEU  10 172.450 -11.050   0.403
   65   2HD2  LEU  10          HD22      LEU  10 174.112 -10.755  -0.105
   66   3HD2  LEU  10          HD23      LEU  10 172.812  -9.722  -0.700
   67    H    ARG  11           HN       ARG  11 170.890 -10.427   4.764
   68    HA   ARG  11           HA       ARG  11 168.721  -8.895   3.963
   69   1HB   ARG  11          HB2       ARG  11 167.399 -10.190   5.416
   70   2HB   ARG  11          HB1       ARG  11 168.738 -11.244   4.988
   71   1HG   ARG  11          HG2       ARG  11 169.826 -10.720   7.114
   72   2HG   ARG  11          HG1       ARG  11 168.470  -9.679   7.546
   73   1HD   ARG  11          HD2       ARG  11 167.900 -12.490   6.761
   74   2HD   ARG  11          HD1       ARG  11 168.605 -12.195   8.350
   75    HE   ARG  11           HE       ARG  11 165.926 -11.603   7.505
   76   1HH1  ARG  11          HH11      ARG  11 168.464 -10.751   9.744
   77   2HH1  ARG  11          HH12      ARG  11 167.376 -10.092  10.920
   78   1HH2  ARG  11          HH21      ARG  11 164.494 -10.736   9.050
   79   2HH2  ARG  11          HH22      ARG  11 165.123 -10.084  10.526
   80    H    GLU  12           HN       GLU  12 170.522  -8.783   7.013
   81    HA   GLU  12           HA       GLU  12 169.028  -6.703   8.193
   82   1HB   GLU  12          HB2       GLU  12 171.698  -7.941   8.669
   83   2HB   GLU  12          HB1       GLU  12 171.366  -6.385   9.419
   84   1HG   GLU  12          HG2       GLU  12 169.145  -7.644  10.141
   85   2HG   GLU  12          HG1       GLU  12 170.196  -9.048   9.964
   86    H    LEU  13           HN       LEU  13 171.485  -6.750   5.753
   87    HA   LEU  13           HA       LEU  13 172.292  -4.028   6.059
   88   1HB   LEU  13          HB2       LEU  13 173.910  -4.773   4.722
   89   2HB   LEU  13          HB1       LEU  13 173.054  -6.284   4.509
   90    HG   LEU  13           HG       LEU  13 171.790  -5.187   2.627
   91   1HD1  LEU  13          HD11      LEU  13 173.087  -2.893   3.612
   92   2HD1  LEU  13          HD12      LEU  13 172.038  -3.027   2.201
   93   3HD1  LEU  13          HD13      LEU  13 173.779  -3.228   2.026
   94   1HD2  LEU  13          HD21      LEU  13 173.440  -5.707   1.051
   95   2HD2  LEU  13          HD22      LEU  13 173.849  -6.694   2.455
   96   3HD2  LEU  13          HD23      LEU  13 174.748  -5.213   2.126
   97    H    ILE  14           HN       ILE  14 169.880  -5.777   4.224
   98    HA   ILE  14           HA       ILE  14 169.056  -3.577   2.622
   99    HB   ILE  14           HB       ILE  14 168.134  -6.336   3.107
  100   1HG1  ILE  14          2HG1      ILE  14 168.018  -6.369   0.693
  101   2HG1  ILE  14          1HG1      ILE  14 168.133  -4.615   0.625
  102   1HG2  ILE  14          1HG2      ILE  14 166.040  -5.413   3.603
  103   2HG2  ILE  14          2HG2      ILE  14 165.954  -5.807   1.886
  104   3HG2  ILE  14          3HG2      ILE  14 166.215  -4.138   2.397
  105   1HD1  ILE  14          HD11      ILE  14 170.307  -6.342   1.766
  106   2HD1  ILE  14          HD12      ILE  14 170.393  -4.643   1.301
  107   3HD1  ILE  14          HD13      ILE  14 170.228  -5.889   0.064
  108    H    GLU  15           HN       GLU  15 168.037  -4.912   5.726
  109    HA   GLU  15           HA       GLU  15 165.727  -3.271   5.982
  110   1HB   GLU  15          HB2       GLU  15 167.325  -4.487   8.237
  111   2HB   GLU  15          HB1       GLU  15 165.626  -4.034   8.254
  112   1HG   GLU  15          HG2       GLU  15 166.506  -6.044   6.259
  113   2HG   GLU  15          HG1       GLU  15 166.415  -6.535   7.950
  114    H    GLU  16           HN       GLU  16 169.101  -2.918   6.889
  115    HA   GLU  16           HA       GLU  16 168.790  -0.613   8.509
  116   1HB   GLU  16          HB2       GLU  16 170.753  -2.298   8.246
  117   2HB   GLU  16          HB1       GLU  16 171.260  -1.243   6.946
  118   1HG   GLU  16          HG2       GLU  16 170.785   0.515   8.998
  119   2HG   GLU  16          HG1       GLU  16 171.456  -0.889   9.826
  120    H    LEU  17           HN       LEU  17 169.652  -1.092   5.114
  121    HA   LEU  17           HA       LEU  17 170.008   1.674   4.558
  122   1HB   LEU  17          HB2       LEU  17 169.922  -0.841   2.982
  123   2HB   LEU  17          HB1       LEU  17 169.637   0.659   2.120
  124    HG   LEU  17           HG       LEU  17 172.059   0.251   3.855
  125   1HD1  LEU  17          HD11      LEU  17 171.511  -1.218   1.569
  126   2HD1  LEU  17          HD12      LEU  17 173.088  -0.970   2.318
  127   3HD1  LEU  17          HD13      LEU  17 172.557   0.089   1.014
  128   1HD2  LEU  17          HD21      LEU  17 170.990   2.487   2.606
  129   2HD2  LEU  17          HD22      LEU  17 172.296   1.968   1.541
  130   3HD2  LEU  17          HD23      LEU  17 172.625   2.310   3.239
  131    H    VAL  18           HN       VAL  18 167.342  -0.554   4.465
  132    HA   VAL  18           HA       VAL  18 165.646   1.122   2.940
  133    HB   VAL  18           HB       VAL  18 165.511  -1.484   3.635
  134   1HG1  VAL  18          1HG1      VAL  18 164.762  -0.729   5.955
  135   2HG1  VAL  18          2HG1      VAL  18 163.823  -1.986   5.151
  136   3HG1  VAL  18          3HG1      VAL  18 163.230  -0.324   5.182
  137   1HG2  VAL  18          1HG2      VAL  18 162.980  -1.158   2.894
  138   2HG2  VAL  18          2HG2      VAL  18 164.326  -0.991   1.768
  139   3HG2  VAL  18          3HG2      VAL  18 163.592   0.444   2.483
  140    H    ASN  19           HN       ASN  19 166.346   0.667   6.304
  141    HA   ASN  19           HA       ASN  19 164.209   2.199   7.363
  142   1HB   ASN  19          HB2       ASN  19 165.516   0.575   8.696
  143   2HB   ASN  19          HB1       ASN  19 166.920   1.632   8.583
  144   1HD2  ASN  19          HD21      ASN  19 167.169   3.172  10.057
  145   2HD2  ASN  19          HD22      ASN  19 165.990   3.630  11.233
  146    H    ILE  20           HN       ILE  20 167.639   3.018   6.701
  147    HA   ILE  20           HA       ILE  20 167.418   5.691   7.543
  148    HB   ILE  20           HB       ILE  20 169.545   6.021   6.475
  149   1HG1  ILE  20          2HG1      ILE  20 168.909   3.435   5.089
  150   2HG1  ILE  20          1HG1      ILE  20 169.389   4.971   4.367
  151   1HG2  ILE  20          1HG2      ILE  20 169.087   4.410   8.554
  152   2HG2  ILE  20          2HG2      ILE  20 170.707   4.789   7.967
  153   3HG2  ILE  20          3HG2      ILE  20 169.924   3.283   7.486
  154   1HD1  ILE  20          HD11      ILE  20 171.071   2.906   5.717
  155   2HD1  ILE  20          HD12      ILE  20 171.614   4.581   5.623
  156   3HD1  ILE  20          HD13      ILE  20 171.283   3.678   4.147
  157    H    THR  21           HN       THR  21 167.018   4.145   4.386
  158    HA   THR  21           HA       THR  21 166.777   6.605   2.953
  159    HB   THR  21           HB       THR  21 167.463   4.440   1.914
  160    HG1  THR  21           1HG      THR  21 166.599   5.005   0.037
  161   1HG2  THR  21          1HG2      THR  21 165.923   2.762   1.341
  162   2HG2  THR  21          2HG2      THR  21 164.552   3.722   1.896
  163   3HG2  THR  21          3HG2      THR  21 165.695   3.061   3.063
  164    H    GLN  22           HN       GLN  22 164.566   4.487   4.624
  165    HA   GLN  22           HA       GLN  22 162.222   5.823   3.553
  166   1HB   GLN  22          HB2       GLN  22 162.576   3.605   5.571
  167   2HB   GLN  22          HB1       GLN  22 161.008   4.279   5.146
  168   1HG   GLN  22          HG2       GLN  22 162.606   3.461   2.843
  169   2HG   GLN  22          HG1       GLN  22 162.195   2.144   3.940
  170   1HE2  GLN  22          1HE2      GLN  22 160.081   1.501   4.146
  171   2HE2  GLN  22          2HE2      GLN  22 158.823   2.049   3.096
  172    H    ASN  23           HN       ASN  23 163.591   7.777   4.649
  173    HA   ASN  23           HA       ASN  23 162.365   8.227   7.289
  174   1HB   ASN  23          HB2       ASN  23 165.072   8.764   6.246
  175   2HB   ASN  23          HB1       ASN  23 164.362  10.070   7.187
  176   1HD2  ASN  23          HD21      ASN  23 165.220   6.675   7.225
  177   2HD2  ASN  23          HD22      ASN  23 165.382   6.540   8.939
  178    H    GLN  24           HN       GLN  24 162.590  10.861   7.618
  179    HA   GLN  24           HA       GLN  24 160.488  11.943   6.151
  180   1HB   GLN  24          HB2       GLN  24 162.559  13.027   7.984
  181   2HB   GLN  24          HB1       GLN  24 161.700  14.186   6.979
  182   1HG   GLN  24          HG2       GLN  24 159.888  12.309   8.221
  183   2HG   GLN  24          HG1       GLN  24 160.877  13.151   9.413
  184   1HE2  GLN  24          1HE2      GLN  24 159.242  14.390  10.235
  185   2HE2  GLN  24          2HE2      GLN  24 158.468  15.653   9.346
  186    H    LYS  25           HN       LYS  25 160.610  13.963   4.803
  187    HA   LYS  25           HA       LYS  25 161.998  13.468   2.431
  188   1HB   LYS  25          HB2       LYS  25 160.931  16.135   3.372
  189   2HB   LYS  25          HB1       LYS  25 161.250  15.661   1.709
  190   1HG   LYS  25          HG2       LYS  25 159.339  14.471   1.536
  191   2HG   LYS  25          HG1       LYS  25 159.380  13.951   3.222
  192   1HD   LYS  25          HD2       LYS  25 157.509  15.417   2.946
  193   2HD   LYS  25          HD1       LYS  25 158.740  16.275   3.876
  194   1HE   LYS  25          HE2       LYS  25 159.505  17.232   1.630
  195   2HE   LYS  25          HE1       LYS  25 157.970  16.640   0.996
  196   1HZ   LYS  25          HZ1       LYS  25 156.773  18.111   2.287
  197   2HZ   LYS  25          HZ2       LYS  25 158.121  19.041   1.866
  198   3HZ   LYS  25          HZ3       LYS  25 158.025  18.340   3.402
  199    H    ALA  26           HN       ALA  26 162.905  15.265   5.277
  200    HA   ALA  26           HA       ALA  26 164.971  16.831   4.234
  201   1HB   ALA  26          HB1       ALA  26 165.334  15.695   6.944
  202   2HB   ALA  26          HB2       ALA  26 163.868  16.632   6.653
  203   3HB   ALA  26          HB3       ALA  26 165.451  17.364   6.387
  204    HA   PRO  27           HA       PRO  27 168.111  13.844   3.315
  205   1HB   PRO  27          HB2       PRO  27 170.212  15.392   3.019
  206   2HB   PRO  27          HB1       PRO  27 168.808  15.605   1.953
  207   1HG   PRO  27          HG2       PRO  27 169.416  17.002   4.513
  208   2HG   PRO  27          HG1       PRO  27 169.163  17.763   2.928
  209   1HD   PRO  27          HD2       PRO  27 167.164  17.578   4.691
  210   2HD   PRO  27          HD1       PRO  27 166.863  17.261   2.966
  211    H    LEU  28           HN       LEU  28 170.577  13.524   4.001
  212    HA   LEU  28           HA       LEU  28 170.563  13.426   6.941
  213   1HB   LEU  28          HB2       LEU  28 170.668  11.274   5.630
  214   2HB   LEU  28          HB1       LEU  28 172.247  11.779   5.058
  215    HG   LEU  28           HG       LEU  28 173.142  11.714   7.302
  216   1HD1  LEU  28          HD11      LEU  28 170.282  11.475   8.032
  217   2HD1  LEU  28          HD12      LEU  28 171.592  12.337   8.838
  218   3HD1  LEU  28          HD13      LEU  28 171.448  10.588   9.013
  219   1HD2  LEU  28          HD21      LEU  28 171.718   9.342   6.220
  220   2HD2  LEU  28          HD22      LEU  28 172.439   9.222   7.825
  221   3HD2  LEU  28          HD23      LEU  28 173.445   9.626   6.434
  222    H    CYS  29           HN       CYS  29 171.722  14.988   7.836
  223    HA   CYS  29           HA       CYS  29 173.600  16.150   8.455
  224   1HB   CYS  29          HB2       CYS  29 175.013  15.281   5.941
  225   2HB   CYS  29          HB1       CYS  29 175.718  15.827   7.457
  226    H    ASN  30           HN       ASN  30 172.423  16.277   5.158
  227    HA   ASN  30           HA       ASN  30 172.250  17.964   3.637
  228   1HB   ASN  30          HB2       ASN  30 171.173  19.993   4.527
  229   2HB   ASN  30          HB1       ASN  30 170.449  18.528   5.178
  230   1HD2  ASN  30          HD21      ASN  30 172.014  21.459   5.879
  231   2HD2  ASN  30          HD22      ASN  30 172.097  21.277   7.595
  232    H    GLY  31           HN       GLY  31 174.396  18.134   2.936
  233   1HA   GLY  31          HA2       GLY  31 175.610  20.443   2.613
  234   2HA   GLY  31          HA1       GLY  31 176.089  20.118   4.270
  235    H    SER  32           HN       SER  32 177.208  18.006   4.638
  236    HA   SER  32           HA       SER  32 179.510  17.823   3.107
  237   1HB   SER  32          HB2       SER  32 178.400  15.488   4.648
  238   2HB   SER  32          HB1       SER  32 180.087  15.926   4.387
  239    HG   SER  32           HG       SER  32 178.196  17.072   6.121
  240    H    MET  33           HN       MET  33 179.520  17.404   0.994
  241    HA   MET  33           HA       MET  33 177.699  15.553  -0.223
  242   1HB   MET  33          HB2       MET  33 180.092  16.616  -1.652
  243   2HB   MET  33          HB1       MET  33 178.459  16.369  -2.231
  244   1HG   MET  33          HG2       MET  33 177.788  18.298  -0.726
  245   2HG   MET  33          HG1       MET  33 179.514  18.624  -0.579
  246   1HE   MET  33          HE1       MET  33 176.457  18.349  -2.905
  247   2HE   MET  33          HE2       MET  33 177.554  17.324  -3.831
  248   3HE   MET  33          HE3       MET  33 177.061  18.892  -4.470
  249    H    VAL  34           HN       VAL  34 178.601  13.844  -1.740
  250    HA   VAL  34           HA       VAL  34 181.124  12.674  -0.885
  251    HB   VAL  34           HB       VAL  34 179.778  10.395  -0.762
  252   1HG1  VAL  34          1HG1      VAL  34 179.562  12.025   1.712
  253   2HG1  VAL  34          2HG1      VAL  34 181.160  11.808   0.998
  254   3HG1  VAL  34          3HG1      VAL  34 180.210  10.402   1.478
  255   1HG2  VAL  34          1HG2      VAL  34 177.754  12.449   0.124
  256   2HG2  VAL  34          2HG2      VAL  34 177.645  10.722   0.462
  257   3HG2  VAL  34          3HG2      VAL  34 177.590  11.300  -1.204
  258    H    TRP  35           HN       TRP  35 182.066  11.388  -2.452
  259    HA   TRP  35           HA       TRP  35 181.252  11.781  -5.098
  260   1HB   TRP  35          HB2       TRP  35 183.021   9.542  -4.132
  261   2HB   TRP  35          HB1       TRP  35 182.932  10.223  -5.747
  262    HD1  TRP  35           HD1      TRP  35 185.137  10.275  -2.983
  263    HE1  TRP  35           HE1      TRP  35 186.566  12.388  -2.946
  264    HE3  TRP  35           HE3      TRP  35 182.443  13.158  -6.227
  265    HZ2  TRP  35           HZ2      TRP  35 186.581  14.963  -4.113
  266    HZ3  TRP  35           HZ3      TRP  35 183.233  15.438  -6.715
  267    HH2  TRP  35           HH2      TRP  35 185.260  16.320  -5.678
  268    H    SER  36           HN       SER  36 179.470  11.107  -5.877
  269    HA   SER  36           HA       SER  36 177.607   9.362  -5.241
  270   1HB   SER  36          HB2       SER  36 178.208  10.684  -7.564
  271   2HB   SER  36          HB1       SER  36 178.248   8.999  -8.081
  272    HG   SER  36           HG       SER  36 176.117  10.524  -7.119
  273    H    ILE  37           HN       ILE  37 177.095   7.208  -5.302
  274    HA   ILE  37           HA       ILE  37 179.090   5.341  -4.911
  275    HB   ILE  37           HB       ILE  37 176.228   4.813  -5.711
  276   1HG1  ILE  37          2HG1      ILE  37 176.362   6.429  -3.827
  277   2HG1  ILE  37          1HG1      ILE  37 175.690   4.880  -3.332
  278   1HG2  ILE  37          1HG2      ILE  37 178.335   3.260  -4.291
  279   2HG2  ILE  37          2HG2      ILE  37 177.447   2.833  -5.750
  280   3HG2  ILE  37          3HG2      ILE  37 176.626   2.849  -4.190
  281   1HD1  ILE  37          HD11      ILE  37 177.723   4.253  -2.271
  282   2HD1  ILE  37          HD12      ILE  37 177.309   5.879  -1.729
  283   3HD1  ILE  37          HD13      ILE  37 178.569   5.647  -2.942
  284    H    ASN  38           HN       ASN  38 179.395   3.346  -6.138
  285    HA   ASN  38           HA       ASN  38 179.034   3.646  -9.036
  286   1HB   ASN  38          HB2       ASN  38 181.419   4.186  -8.051
  287   2HB   ASN  38          HB1       ASN  38 181.561   2.432  -7.981
  288   1HD2  ASN  38          HD21      ASN  38 183.222   2.499  -9.517
  289   2HD2  ASN  38          HD22      ASN  38 182.893   2.752 -11.194
  290    H    LEU  39           HN       LEU  39 177.223   2.224  -8.028
  291    HA   LEU  39           HA       LEU  39 177.405  -0.279  -7.048
  292   1HB   LEU  39          HB2       LEU  39 175.603  -0.020  -9.390
  293   2HB   LEU  39          HB1       LEU  39 175.279  -0.657  -7.790
  294    HG   LEU  39           HG       LEU  39 175.431   2.255  -8.568
  295   1HD1  LEU  39          HD11      LEU  39 173.339   1.727  -9.208
  296   2HD1  LEU  39          HD12      LEU  39 173.017   1.932  -7.487
  297   3HD1  LEU  39          HD13      LEU  39 173.249   0.316  -8.155
  298   1HD2  LEU  39          HD21      LEU  39 175.561   2.852  -6.420
  299   2HD2  LEU  39          HD22      LEU  39 176.124   1.207  -6.123
  300   3HD2  LEU  39          HD23      LEU  39 174.419   1.608  -5.913
  301    H    THR  40           HN       THR  40 178.413   0.688 -10.224
  302    HA   THR  40           HA       THR  40 178.388  -1.564 -11.732
  303    HB   THR  40           HB       THR  40 180.477  -0.762 -12.793
  304    HG1  THR  40           1HG      THR  40 180.511   0.970 -10.557
  305   1HG2  THR  40          1HG2      THR  40 178.900   1.690 -12.167
  306   2HG2  THR  40          2HG2      THR  40 178.187   0.384 -13.113
  307   3HG2  THR  40          3HG2      THR  40 179.647   1.192 -13.684
  308    H    ALA  41           HN       ALA  41 181.312  -0.725  -9.860
  309    HA   ALA  41           HA       ALA  41 181.544  -3.478  -8.953
  310   1HB   ALA  41          HB1       ALA  41 184.032  -2.471 -10.170
  311   2HB   ALA  41          HB2       ALA  41 182.748  -2.917 -11.293
  312   3HB   ALA  41          HB3       ALA  41 183.359  -4.101 -10.138
  313    H    GLY  42           HN       GLY  42 182.599  -3.670  -7.035
  314   1HA   GLY  42          HA2       GLY  42 183.520  -3.005  -5.040
  315   2HA   GLY  42          HA1       GLY  42 184.583  -2.008  -6.019
  316    H    MET  43           HN       MET  43 181.094  -1.672  -5.860
  317    HA   MET  43           HA       MET  43 181.225   1.102  -5.393
  318   1HB   MET  43          HB2       MET  43 178.835   1.044  -5.246
  319   2HB   MET  43          HB1       MET  43 179.328  -0.099  -6.483
  320   1HG   MET  43          HG2       MET  43 177.781  -1.346  -5.408
  321   2HG   MET  43          HG1       MET  43 179.217  -1.805  -4.494
  322   1HE   MET  43          HE1       MET  43 177.086  -2.153  -1.715
  323   2HE   MET  43          HE2       MET  43 178.714  -1.577  -1.359
  324   3HE   MET  43          HE3       MET  43 178.439  -2.657  -2.727
  325    H    TYR  44           HN       TYR  44 181.304  -1.597  -3.241
  326    HA   TYR  44           HA       TYR  44 180.288  -0.467  -0.894
  327   1HB   TYR  44          HB2       TYR  44 182.548  -2.457  -1.207
  328   2HB   TYR  44          HB1       TYR  44 181.699  -2.117   0.297
  329    HD1  TYR  44           HD1      TYR  44 179.590  -3.114   0.769
  330    HD2  TYR  44           HD2      TYR  44 181.343  -3.568  -3.082
  331    HE1  TYR  44           HE1      TYR  44 177.937  -4.849   0.227
  332    HE2  TYR  44           HE2      TYR  44 179.691  -5.302  -3.635
  333    HH   TYR  44           HH       TYR  44 176.935  -5.904  -1.679
  334    H    CYS  45           HN       CYS  45 183.718  -0.773  -1.823
  335    HA   CYS  45           HA       CYS  45 184.739   0.872   0.181
  336   1HB   CYS  45          HB2       CYS  45 185.756   0.032  -2.515
  337   2HB   CYS  45          HB1       CYS  45 186.651   1.217  -1.572
  338    H    ALA  46           HN       ALA  46 183.016   1.676  -2.676
  339    HA   ALA  46           HA       ALA  46 184.020   4.310  -3.051
  340   1HB   ALA  46          HB1       ALA  46 182.611   4.404  -4.805
  341   2HB   ALA  46          HB2       ALA  46 181.244   3.791  -3.874
  342   3HB   ALA  46          HB3       ALA  46 182.443   2.671  -4.520
  343    H    ALA  47           HN       ALA  47 180.907   3.171  -1.732
  344    HA   ALA  47           HA       ALA  47 180.121   5.678  -0.717
  345   1HB   ALA  47          HB1       ALA  47 178.927   3.226  -1.015
  346   2HB   ALA  47          HB2       ALA  47 178.216   4.627  -0.213
  347   3HB   ALA  47          HB3       ALA  47 179.044   3.393   0.737
  348    H    LEU  48           HN       LEU  48 182.205   3.200   0.553
  349    HA   LEU  48           HA       LEU  48 182.074   4.064   3.273
  350   1HB   LEU  48          HB2       LEU  48 182.648   1.793   2.840
  351   2HB   LEU  48          HB1       LEU  48 183.929   2.258   1.739
  352    HG   LEU  48           HG       LEU  48 185.234   3.159   3.591
  353   1HD1  LEU  48          HD11      LEU  48 184.545   2.928   5.879
  354   2HD1  LEU  48          HD12      LEU  48 183.063   2.102   5.396
  355   3HD1  LEU  48          HD13      LEU  48 183.293   3.805   4.999
  356   1HD2  LEU  48          HD21      LEU  48 184.448   0.370   3.321
  357   2HD2  LEU  48          HD22      LEU  48 185.074   0.753   4.925
  358   3HD2  LEU  48          HD23      LEU  48 186.051   1.084   3.495
  359    H    GLU  49           HN       GLU  49 184.219   4.569   0.531
  360    HA   GLU  49           HA       GLU  49 186.151   6.023   1.974
  361   1HB   GLU  49          HB2       GLU  49 187.139   6.568  -0.151
  362   2HB   GLU  49          HB1       GLU  49 186.612   4.892  -0.183
  363   1HG   GLU  49          HG2       GLU  49 184.894   5.322  -1.657
  364   2HG   GLU  49          HG1       GLU  49 184.825   7.033  -1.245
  365    H    SER  50           HN       SER  50 183.246   6.951   0.241
  366    HA   SER  50           HA       SER  50 183.827   9.767   0.420
  367   1HB   SER  50          HB2       SER  50 181.027   9.040  -0.053
  368   2HB   SER  50          HB1       SER  50 182.120  10.022  -1.028
  369    HG   SER  50           HG       SER  50 183.078   7.964  -1.685
  370    H    LEU  51           HN       LEU  51 181.900   7.419   2.199
  371    HA   LEU  51           HA       LEU  51 180.606   9.348   3.859
  372   1HB   LEU  51          HB2       LEU  51 180.897   6.365   3.909
  373   2HB   LEU  51          HB1       LEU  51 180.178   7.213   5.261
  374    HG   LEU  51           HG       LEU  51 179.144   7.503   2.450
  375   1HD1  LEU  51          HD11      LEU  51 178.586   5.404   4.502
  376   2HD1  LEU  51          HD12      LEU  51 178.807   5.240   2.760
  377   3HD1  LEU  51          HD13      LEU  51 177.314   5.928   3.398
  378   1HD2  LEU  51          HD21      LEU  51 178.112   9.186   3.542
  379   2HD2  LEU  51          HD22      LEU  51 178.363   8.458   5.129
  380   3HD2  LEU  51          HD23      LEU  51 177.053   7.889   4.094
  381    H    ILE  52           HN       ILE  52 183.625   7.635   3.965
  382    HA   ILE  52           HA       ILE  52 184.182   7.744   6.702
  383    HB   ILE  52           HB       ILE  52 185.480   6.504   4.912
  384   1HG1  ILE  52          2HG1      ILE  52 187.644   7.777   6.350
  385   2HG1  ILE  52          1HG1      ILE  52 186.263   7.511   7.410
  386   1HG2  ILE  52          1HG2      ILE  52 187.409   8.661   4.598
  387   2HG2  ILE  52          2HG2      ILE  52 185.854   9.004   3.841
  388   3HG2  ILE  52          3HG2      ILE  52 186.746   7.547   3.402
  389   1HD1  ILE  52          HD11      ILE  52 186.325   5.197   7.089
  390   2HD1  ILE  52          HD12      ILE  52 188.012   5.677   7.273
  391   3HD1  ILE  52          HD13      ILE  52 187.362   5.334   5.669
  392    H    ASN  53           HN       ASN  53 184.153  10.249   4.322
  393    HA   ASN  53           HA       ASN  53 185.665  12.061   6.049
  394   1HB   ASN  53          HB2       ASN  53 185.119  11.894   3.187
  395   2HB   ASN  53          HB1       ASN  53 184.866  13.516   3.827
  396   1HD2  ASN  53          HD21      ASN  53 187.168  11.069   4.895
  397   2HD2  ASN  53          HD22      ASN  53 188.586  11.986   4.529
  398    H    VAL  54           HN       VAL  54 182.935  11.086   6.694
  399    HA   VAL  54           HA       VAL  54 181.362  13.548   6.484
  400    HB   VAL  54           HB       VAL  54 180.519  10.850   7.554
  401   1HG1  VAL  54          1HG1      VAL  54 179.140  12.554   8.490
  402   2HG1  VAL  54          2HG1      VAL  54 178.222  11.791   7.192
  403   3HG1  VAL  54          3HG1      VAL  54 178.978  13.363   6.931
  404   1HG2  VAL  54          1HG2      VAL  54 179.639  11.992   4.932
  405   2HG2  VAL  54          2HG2      VAL  54 179.632  10.316   5.482
  406   3HG2  VAL  54          3HG2      VAL  54 181.154  11.097   5.052
  407    H    SER  55           HN       SER  55 181.089  14.891   8.150
  408    HA   SER  55           HA       SER  55 181.595  13.928  10.871
  409   1HB   SER  55          HB2       SER  55 182.837  16.410   9.660
  410   2HB   SER  55          HB1       SER  55 182.905  15.980  11.369
  411    HG   SER  55           HG       SER  55 184.735  15.347   9.916
  412    H    GLY  56           HN       GLY  56 180.043  14.531  12.233
  413   1HA   GLY  56          HA2       GLY  56 178.716  16.314  13.212
  414   2HA   GLY  56          HA1       GLY  56 178.483  16.952  11.592
  415    H    CYS  57           HN       CYS  57 178.279  13.539  11.905
  416    HA   CYS  57           HA       CYS  57 175.362  13.631  12.153
  417   1HB   CYS  57          HB2       CYS  57 176.897  12.942   9.768
  418   2HB   CYS  57          HB1       CYS  57 175.807  11.654  10.260
  419    H    SER  58           HN       SER  58 177.803  11.163  11.374
  420    HA   SER  58           HA       SER  58 178.360   9.196  12.358
  421   1HB   SER  58          HB2       SER  58 178.397  11.045  14.368
  422   2HB   SER  58          HB1       SER  58 177.275   9.849  15.018
  423    HG   SER  58           HG       SER  58 178.970   8.714  15.476
  424    H    ALA  59           HN       ALA  59 175.479   9.834  11.466
  425    HA   ALA  59           HA       ALA  59 173.935   7.958  13.050
  426   1HB   ALA  59          HB1       ALA  59 173.193  10.185  11.762
  427   2HB   ALA  59          HB2       ALA  59 172.087   8.852  12.092
  428   3HB   ALA  59          HB3       ALA  59 172.845   8.997  10.506
  429    H    ILE  60           HN       ILE  60 175.493   8.141   9.916
  430    HA   ILE  60           HA       ILE  60 174.454   5.642   8.979
  431    HB   ILE  60           HB       ILE  60 176.070   6.001   7.133
  432   1HG1  ILE  60          2HG1      ILE  60 176.808   8.646   7.377
  433   2HG1  ILE  60          1HG1      ILE  60 177.061   8.015   9.000
  434   1HG2  ILE  60          1HG2      ILE  60 173.970   7.936   7.898
  435   2HG2  ILE  60          2HG2      ILE  60 174.048   6.836   6.522
  436   3HG2  ILE  60          3HG2      ILE  60 174.982   8.332   6.508
  437   1HD1  ILE  60          HD11      ILE  60 178.177   6.711   6.539
  438   2HD1  ILE  60          HD12      ILE  60 178.586   6.387   8.224
  439   3HD1  ILE  60          HD13      ILE  60 179.043   7.922   7.485
  440    H    GLU  61           HN       GLU  61 176.633   6.264  11.339
  441    HA   GLU  61           HA       GLU  61 178.952   4.922  10.873
  442   1HB   GLU  61          HB2       GLU  61 177.288   5.410  13.259
  443   2HB   GLU  61          HB1       GLU  61 178.445   4.095  13.408
  444   1HG   GLU  61          HG2       GLU  61 179.958   6.076  12.285
  445   2HG   GLU  61          HG1       GLU  61 178.874   6.977  13.343
  446    H    LYS  62           HN       LYS  62 175.802   3.509  11.519
  447    HA   LYS  62           HA       LYS  62 176.675   0.839  11.841
  448   1HB   LYS  62          HB2       LYS  62 174.215   2.225  11.889
  449   2HB   LYS  62          HB1       LYS  62 174.044   0.960  10.679
  450   1HG   LYS  62          HG2       LYS  62 174.881   0.572  13.545
  451   2HG   LYS  62          HG1       LYS  62 173.303   0.189  12.854
  452   1HD   LYS  62          HD2       LYS  62 174.173  -1.871  12.600
  453   2HD   LYS  62          HD1       LYS  62 174.952  -1.171  11.180
  454   1HE   LYS  62          HE2       LYS  62 176.998  -1.164  12.141
  455   2HE   LYS  62          HE1       LYS  62 176.361  -0.794  13.742
  456   1HZ   LYS  62          HZ1       LYS  62 175.552  -3.150  13.799
  457   2HZ   LYS  62          HZ2       LYS  62 177.233  -2.968  13.836
  458   3HZ   LYS  62          HZ3       LYS  62 176.466  -3.435  12.403
  459    H    THR  63           HN       THR  63 175.190   2.470   9.041
  460    HA   THR  63           HA       THR  63 175.496   0.345   7.242
  461    HB   THR  63           HB       THR  63 174.246   2.719   7.131
  462    HG1  THR  63           1HG      THR  63 173.680   1.145   5.731
  463   1HG2  THR  63          1HG2      THR  63 175.145   4.225   5.575
  464   2HG2  THR  63          2HG2      THR  63 176.467   3.133   5.161
  465   3HG2  THR  63          3HG2      THR  63 176.432   3.916   6.741
  466    H    GLN  64           HN       GLN  64 177.615   3.025   8.081
  467    HA   GLN  64           HA       GLN  64 179.564   2.710   6.117
  468   1HB   GLN  64          HB2       GLN  64 179.304   4.104   8.629
  469   2HB   GLN  64          HB1       GLN  64 180.922   3.432   8.476
  470   1HG   GLN  64          HG2       GLN  64 181.147   4.537   6.290
  471   2HG   GLN  64          HG1       GLN  64 179.553   5.256   6.513
  472   1HE2  GLN  64          1HE2      GLN  64 182.234   6.467   6.224
  473   2HE2  GLN  64          2HE2      GLN  64 182.425   7.490   7.603
  474    H    ARG  65           HN       ARG  65 179.467   1.291   9.382
  475    HA   ARG  65           HA       ARG  65 181.792  -0.177   9.216
  476   1HB   ARG  65          HB2       ARG  65 179.302  -0.425  10.843
  477   2HB   ARG  65          HB1       ARG  65 180.509  -1.701  10.921
  478   1HG   ARG  65          HG2       ARG  65 181.336   1.139  11.312
  479   2HG   ARG  65          HG1       ARG  65 180.560   0.256  12.629
  480   1HD   ARG  65          HD2       ARG  65 182.308  -1.221  12.849
  481   2HD   ARG  65          HD1       ARG  65 182.829  -1.019  11.177
  482    HE   ARG  65           HE       ARG  65 184.152   0.732  11.834
  483   1HH1  ARG  65          HH11      ARG  65 181.897  -0.007  14.393
  484   2HH1  ARG  65          HH12      ARG  65 182.653   1.052  15.535
  485   1HH2  ARG  65          HH21      ARG  65 185.149   2.125  13.336
  486   2HH2  ARG  65          HH22      ARG  65 184.499   2.262  14.935
  487    H    MET  66           HN       MET  66 178.450  -1.278   8.630
  488    HA   MET  66           HA       MET  66 179.030  -3.883   7.894
  489   1HB   MET  66          HB2       MET  66 176.835  -4.014   7.109
  490   2HB   MET  66          HB1       MET  66 176.762  -2.750   8.322
  491   1HG   MET  66          HG2       MET  66 176.484  -1.082   6.765
  492   2HG   MET  66          HG1       MET  66 177.167  -2.036   5.455
  493   1HE   MET  66          HE1       MET  66 173.146  -2.877   7.436
  494   2HE   MET  66          HE2       MET  66 174.723  -2.679   8.201
  495   3HE   MET  66          HE3       MET  66 174.297  -4.213   7.442
  496    H    LEU  67           HN       LEU  67 179.278  -0.922   6.064
  497    HA   LEU  67           HA       LEU  67 179.581  -2.165   3.513
  498   1HB   LEU  67          HB2       LEU  67 180.020   0.588   4.604
  499   2HB   LEU  67          HB1       LEU  67 180.626   0.178   3.013
  500    HG   LEU  67           HG       LEU  67 177.756   0.202   3.927
  501   1HD1  LEU  67          HD11      LEU  67 177.515   2.103   2.745
  502   2HD1  LEU  67          HD12      LEU  67 178.655   1.601   1.497
  503   3HD1  LEU  67          HD13      LEU  67 179.250   2.249   3.026
  504   1HD2  LEU  67          HD21      LEU  67 179.018  -1.348   1.815
  505   2HD2  LEU  67          HD22      LEU  67 177.753  -0.279   1.210
  506   3HD2  LEU  67          HD23      LEU  67 177.386  -1.451   2.476
  507    H    SER  68           HN       SER  68 181.807  -0.870   5.944
  508    HA   SER  68           HA       SER  68 184.193  -1.170   4.550
  509   1HB   SER  68          HB2       SER  68 185.301  -0.954   6.627
  510   2HB   SER  68          HB1       SER  68 183.791  -0.068   6.837
  511    HG   SER  68           HG       SER  68 184.705  -2.166   8.218
  512    H    GLY  69           HN       GLY  69 182.425  -3.469   6.547
  513   1HA   GLY  69          HA2       GLY  69 184.188  -5.562   6.633
  514   2HA   GLY  69          HA1       GLY  69 182.447  -5.758   6.580
  515    H    PHE  70           HN       PHE  70 182.409  -4.392   3.896
  516    HA   PHE  70           HA       PHE  70 183.128  -6.769   2.335
  517   1HB   PHE  70          HB2       PHE  70 181.160  -4.536   1.847
  518   2HB   PHE  70          HB1       PHE  70 181.603  -5.697   0.600
  519    HD1  PHE  70           HD1      PHE  70 180.177  -7.459   0.305
  520    HD2  PHE  70           HD2      PHE  70 180.538  -5.737   4.180
  521    HE1  PHE  70           HE1      PHE  70 178.475  -9.021   1.153
  522    HE2  PHE  70           HE2      PHE  70 178.838  -7.295   5.035
  523    HZ   PHE  70           HZ       PHE  70 177.804  -8.940   3.522
  524    H    CYS  71           HN       CYS  71 183.781  -3.368   2.676
  525    HA   CYS  71           HA       CYS  71 184.755  -2.437   0.375
  526   1HB   CYS  71          HB2       CYS  71 184.939  -1.443   2.731
  527   2HB   CYS  71          HB1       CYS  71 186.476  -2.288   2.842
  528    HA   PRO  72           HA       PRO  72 187.710  -5.778  -0.592
  529   1HB   PRO  72          HB2       PRO  72 187.575  -5.537  -3.266
  530   2HB   PRO  72          HB1       PRO  72 186.315  -6.361  -2.339
  531   1HG   PRO  72          HG2       PRO  72 186.344  -3.572  -3.431
  532   2HG   PRO  72          HG1       PRO  72 185.035  -4.768  -3.455
  533   1HD   PRO  72          HD2       PRO  72 185.170  -2.732  -1.645
  534   2HD   PRO  72          HD1       PRO  72 184.392  -4.290  -1.305
  535    H    HIS  73           HN       HIS  73 188.784  -3.474   0.388
  536    HA   HIS  73           HA       HIS  73 191.270  -3.268  -0.714
  537   1HB   HIS  73          HB2       HIS  73 189.315  -1.709  -2.234
  538   2HB   HIS  73          HB1       HIS  73 190.667  -0.739  -1.668
  539    HD1  HIS  73           HD1      HIS  73 189.707  -2.580  -4.501
  540    HD2  HIS  73           HD2      HIS  73 193.242  -2.286  -2.338
  541    HE1  HIS  73           HE1      HIS  73 191.515  -3.374  -6.058
  542    HE2  HIS  73           HE2      HIS  73 193.634  -3.268  -4.698
  543    H    LYS  74           HN       LYS  74 192.088  -0.719  -0.331
  544    HA   LYS  74           HA       LYS  74 191.611  -0.365   2.516
  545   1HB   LYS  74          HB2       LYS  74 193.843  -0.061   0.846
  546   2HB   LYS  74          HB1       LYS  74 193.419   1.570   1.348
  547   1HG   LYS  74          HG2       LYS  74 194.986   0.755   2.914
  548   2HG   LYS  74          HG1       LYS  74 193.413   0.730   3.714
  549   1HD   LYS  74          HD2       LYS  74 193.276  -1.711   2.945
  550   2HD   LYS  74          HD1       LYS  74 195.007  -1.572   2.629
  551   1HE   LYS  74          HE2       LYS  74 194.717  -2.492   4.820
  552   2HE   LYS  74          HE1       LYS  74 195.312  -0.841   4.988
  553   1HZ   LYS  74          HZ1       LYS  74 193.358  -1.639   6.446
  554   2HZ   LYS  74          HZ2       LYS  74 192.418  -1.373   5.066
  555   3HZ   LYS  74          HZ3       LYS  74 193.288  -0.096   5.754
  556    H    VAL  75           HN       VAL  75 190.393   1.203   3.375
  557    HA   VAL  75           HA       VAL  75 189.911   3.678   1.978
  558    HB   VAL  75           HB       VAL  75 187.628   1.775   2.526
  559   1HG1  VAL  75          1HG1      VAL  75 186.989   4.037   3.138
  560   2HG1  VAL  75          2HG1      VAL  75 186.172   3.550   1.653
  561   3HG1  VAL  75          3HG1      VAL  75 187.558   4.639   1.581
  562   1HG2  VAL  75          1HG2      VAL  75 188.879   2.844   0.016
  563   2HG2  VAL  75          2HG2      VAL  75 187.234   2.210   0.043
  564   3HG2  VAL  75          3HG2      VAL  75 188.588   1.166   0.476
  565    H    SER  76           HN       SER  76 190.816   4.677   3.776
  566    HA   SER  76           HA       SER  76 189.315   4.554   6.256
  567   1HB   SER  76          HB2       SER  76 191.652   3.669   6.363
  568   2HB   SER  76          HB1       SER  76 192.211   5.266   5.866
  569    HG   SER  76           HG       SER  76 192.259   5.437   8.005
  570    H    ALA  77           HN       ALA  77 191.165   6.690   6.828
  571    HA   ALA  77           HA       ALA  77 189.448   8.910   6.099
  572   1HB   ALA  77          HB1       ALA  77 190.173   9.952   7.957
  573   2HB   ALA  77          HB2       ALA  77 191.855   9.496   7.683
  574   3HB   ALA  77          HB3       ALA  77 190.736   8.343   8.410
  575    H    GLY  78           HN       GLY  78 190.076  10.731   4.949
  576   1HA   GLY  78          HA2       GLY  78 192.766  10.990   3.939
  577   2HA   GLY  78          HA1       GLY  78 191.595  10.504   2.722
  578    H    GLN  79           HN       GLN  79 192.684  13.066   4.803
  579    HA   GLN  79           HA       GLN  79 190.672  14.949   4.440
  580   1HB   GLN  79          HB2       GLN  79 193.619  15.585   4.572
  581   2HB   GLN  79          HB1       GLN  79 192.282  16.612   5.069
  582   1HG   GLN  79          HG2       GLN  79 192.210  14.092   6.461
  583   2HG   GLN  79          HG1       GLN  79 193.774  14.882   6.660
  584   1HE2  GLN  79          1HE2      GLN  79 191.789  14.429   8.673
  585   2HE2  GLN  79          2HE2      GLN  79 191.303  15.977   9.266
  586    H    PHE  80           HN       PHE  80 191.628  17.190   3.270
  587    HA   PHE  80           HA       PHE  80 191.006  16.874   0.587
  588   1HB   PHE  80          HB2       PHE  80 192.724  19.104   1.667
  589   2HB   PHE  80          HB1       PHE  80 191.587  19.156   0.331
  590    HD1  PHE  80           HD1      PHE  80 192.067  19.851   3.747
  591    HD2  PHE  80           HD2      PHE  80 189.100  18.697   0.923
  592    HE1  PHE  80           HE1      PHE  80 190.310  20.643   5.276
  593    HE2  PHE  80           HE2      PHE  80 187.337  19.487   2.447
  594    HZ   PHE  80           HZ       PHE  80 187.941  20.462   4.626
  595    H    SER  81           HN       SER  81 192.239  15.202  -0.309
  596    HA   SER  81           HA       SER  81 194.553  15.949  -1.680
  597   1HB   SER  81          HB2       SER  81 195.833  15.870   0.308
  598   2HB   SER  81          HB1       SER  81 195.026  14.405   0.866
  599    HG   SER  81           HG       SER  81 196.629  13.403  -0.035
  600    H    SER  82           HN       SER  82 193.779  14.935  -3.446
  601    HA   SER  82           HA       SER  82 193.409  13.240  -4.909
  602   1HB   SER  82          HB2       SER  82 194.464  11.207  -4.620
  603   2HB   SER  82          HB1       SER  82 195.354  12.201  -3.468
  604    HG   SER  82           HG       SER  82 194.558  10.111  -2.684
  605    H    LEU  83           HN       LEU  83 192.475  11.955  -1.745
  606    HA   LEU  83           HA       LEU  83 190.499  11.176  -0.931
  607   1HB   LEU  83          HB2       LEU  83 189.746  13.260  -2.833
  608   2HB   LEU  83          HB1       LEU  83 188.497  12.047  -2.623
  609    HG   LEU  83           HG       LEU  83 188.738  12.445  -0.114
  610   1HD1  LEU  83          HD11      LEU  83 190.915  13.616  -0.281
  611   2HD1  LEU  83          HD12      LEU  83 189.690  14.533   0.596
  612   3HD1  LEU  83          HD13      LEU  83 190.091  14.963  -1.067
  613   1HD2  LEU  83          HD21      LEU  83 187.565  14.812  -0.474
  614   2HD2  LEU  83          HD22      LEU  83 186.768  13.287  -0.858
  615   3HD2  LEU  83          HD23      LEU  83 187.526  14.233  -2.139
  616    H    HIS  84           HN       HIS  84 192.003   9.729  -3.007
  617    HA   HIS  84           HA       HIS  84 191.813   7.663  -3.955
  618   1HB   HIS  84          HB2       HIS  84 188.825   7.757  -3.633
  619   2HB   HIS  84          HB1       HIS  84 189.868   6.344  -3.741
  620    HD1  HIS  84           HD1      HIS  84 191.310   5.791  -1.589
  621    HD2  HIS  84           HD2      HIS  84 188.417   8.732  -1.091
  622    HE1  HIS  84           HE1      HIS  84 191.039   6.052   0.897
  623    HE2  HIS  84           HE2      HIS  84 189.346   7.897   1.174
  624    H    VAL  85           HN       VAL  85 189.012   9.625  -4.844
  625    HA   VAL  85           HA       VAL  85 189.904  10.127  -7.466
  626    HB   VAL  85           HB       VAL  85 189.418   7.746  -7.784
  627   1HG1  VAL  85          1HG1      VAL  85 187.435   7.990  -6.027
  628   2HG1  VAL  85          2HG1      VAL  85 187.475   6.710  -7.240
  629   3HG1  VAL  85          3HG1      VAL  85 186.499   8.153  -7.513
  630   1HG2  VAL  85          1HG2      VAL  85 189.099   8.598  -9.835
  631   2HG2  VAL  85          2HG2      VAL  85 188.071   9.902  -9.241
  632   3HG2  VAL  85          3HG2      VAL  85 187.391   8.299  -9.516
  633    H    ARG  86           HN       ARG  86 189.221  12.194  -7.219
  634    HA   ARG  86           HA       ARG  86 186.514  12.758  -6.340
  635   1HB   ARG  86          HB2       ARG  86 187.247  15.158  -6.673
  636   2HB   ARG  86          HB1       ARG  86 188.146  14.244  -5.470
  637   1HG   ARG  86          HG2       ARG  86 190.063  14.257  -6.686
  638   2HG   ARG  86          HG1       ARG  86 189.214  14.278  -8.232
  639   1HD   ARG  86          HD2       ARG  86 188.851  16.575  -8.142
  640   2HD   ARG  86          HD1       ARG  86 189.109  16.643  -6.400
  641    HE   ARG  86           HE       ARG  86 191.515  15.853  -7.377
  642   1HH1  ARG  86          HH11      ARG  86 189.390  18.533  -8.069
  643   2HH1  ARG  86          HH12      ARG  86 190.678  19.602  -8.512
  644   1HH2  ARG  86          HH21      ARG  86 193.211  17.257  -7.958
  645   2HH2  ARG  86          HH22      ARG  86 192.847  18.878  -8.450
  646    H    ASP  87           HN       ASP  87 184.845  12.975  -7.665
  647    HA   ASP  87           HA       ASP  87 185.319  13.851 -10.423
  648   1HB   ASP  87          HB2       ASP  87 183.999  11.341  -9.509
  649   2HB   ASP  87          HB1       ASP  87 183.329  12.161 -10.916
  650    H    THR  88           HN       THR  88 182.329  12.721  -8.945
  651    HA   THR  88           HA       THR  88 181.311  15.482  -9.020
  652    HB   THR  88           HB       THR  88 179.074  13.930  -9.412
  653    HG1  THR  88           1HG      THR  88 181.132  12.860 -11.037
  654   1HG2  THR  88          1HG2      THR  88 178.967  15.606 -10.873
  655   2HG2  THR  88          2HG2      THR  88 179.777  14.496 -11.978
  656   3HG2  THR  88          3HG2      THR  88 180.719  15.677 -11.067
  657    H    LYS  89           HN       LYS  89 180.517  16.186  -7.155
  658    HA   LYS  89           HA       LYS  89 180.127  14.287  -4.975
  659   1HB   LYS  89          HB2       LYS  89 180.650  17.202  -5.187
  660   2HB   LYS  89          HB1       LYS  89 179.712  16.663  -3.801
  661   1HG   LYS  89          HG2       LYS  89 181.507  15.837  -2.779
  662   2HG   LYS  89          HG1       LYS  89 182.075  15.035  -4.244
  663   1HD   LYS  89          HD2       LYS  89 183.162  17.000  -5.006
  664   2HD   LYS  89          HD1       LYS  89 182.363  17.996  -3.788
  665   1HE   LYS  89          HE2       LYS  89 184.145  15.729  -2.979
  666   2HE   LYS  89          HE1       LYS  89 184.830  17.291  -3.427
  667   1HZ   LYS  89          HZ1       LYS  89 183.158  18.213  -1.733
  668   2HZ   LYS  89          HZ2       LYS  89 184.554  17.456  -1.151
  669   3HZ   LYS  89          HZ3       LYS  89 183.080  16.627  -1.149
  670    H    ILE  90           HN       ILE  90 178.195  13.800  -4.092
  671    HA   ILE  90           HA       ILE  90 175.847  15.324  -5.010
  672    HB   ILE  90           HB       ILE  90 174.525  13.289  -5.080
  673   1HG1  ILE  90          2HG1      ILE  90 176.736  11.384  -4.999
  674   2HG1  ILE  90          1HG1      ILE  90 176.512  12.213  -3.462
  675   1HG2  ILE  90          1HG2      ILE  90 176.267  14.096  -6.958
  676   2HG2  ILE  90          2HG2      ILE  90 175.155  12.745  -7.176
  677   3HG2  ILE  90          3HG2      ILE  90 176.829  12.443  -6.713
  678   1HD1  ILE  90          HD11      ILE  90 174.708  11.016  -2.993
  679   2HD1  ILE  90          HD12      ILE  90 175.127  10.003  -4.375
  680   3HD1  ILE  90          HD13      ILE  90 173.994  11.340  -4.573
  681    H    GLU  91           HN       GLU  91 173.908  14.951  -3.580
  682    HA   GLU  91           HA       GLU  91 174.519  15.687  -0.943
  683   1HB   GLU  91          HB2       GLU  91 172.045  14.941  -2.418
  684   2HB   GLU  91          HB1       GLU  91 171.977  14.932  -0.661
  685   1HG   GLU  91          HG2       GLU  91 173.210  17.326  -1.797
  686   2HG   GLU  91          HG1       GLU  91 171.520  17.095  -2.244
  687    H    VAL  92           HN       VAL  92 174.939  14.554   0.837
  688    HA   VAL  92           HA       VAL  92 175.592  11.884   0.856
  689    HB   VAL  92           HB       VAL  92 174.891  12.194   3.451
  690   1HG1  VAL  92          1HG1      VAL  92 177.330  13.105   1.966
  691   2HG1  VAL  92          2HG1      VAL  92 177.088  11.620   2.886
  692   3HG1  VAL  92          3HG1      VAL  92 177.232  13.164   3.726
  693   1HG2  VAL  92          1HG2      VAL  92 175.179  14.449   4.174
  694   2HG2  VAL  92          2HG2      VAL  92 173.916  14.437   2.944
  695   3HG2  VAL  92          3HG2      VAL  92 175.541  14.985   2.534
  696    H    ALA  93           HN       ALA  93 172.447  13.360   1.443
  697    HA   ALA  93           HA       ALA  93 171.134  11.110   2.503
  698   1HB   ALA  93          HB1       ALA  93 169.284  12.393   2.444
  699   2HB   ALA  93          HB2       ALA  93 169.519  12.834   0.752
  700   3HB   ALA  93          HB3       ALA  93 170.411  13.681   2.016
  701    H    GLN  94           HN       GLN  94 171.111  12.357  -0.834
  702    HA   GLN  94           HA       GLN  94 169.822  10.150  -1.993
  703   1HB   GLN  94          HB2       GLN  94 170.867  12.604  -2.869
  704   2HB   GLN  94          HB1       GLN  94 171.731  11.384  -3.793
  705   1HG   GLN  94          HG2       GLN  94 168.739  11.443  -3.566
  706   2HG   GLN  94          HG1       GLN  94 169.628  12.295  -4.829
  707   1HE2  GLN  94          1HE2      GLN  94 168.936   9.136  -3.464
  708   2HE2  GLN  94          2HE2      GLN  94 169.277   8.234  -4.897
  709    H    PHE  95           HN       PHE  95 173.116  10.779  -1.103
  710    HA   PHE  95           HA       PHE  95 174.441   8.816  -2.579
  711   1HB   PHE  95          HB2       PHE  95 175.437  10.693  -1.164
  712   2HB   PHE  95          HB1       PHE  95 175.183   9.635   0.220
  713    HD1  PHE  95           HD1      PHE  95 176.934   8.289   0.870
  714    HD2  PHE  95           HD2      PHE  95 176.663   9.537  -3.185
  715    HE1  PHE  95           HE1      PHE  95 179.077   7.175   0.388
  716    HE2  PHE  95           HE2      PHE  95 178.790   8.435  -3.675
  717    HZ   PHE  95           HZ       PHE  95 180.011   7.249  -1.893
  718    H    VAL  96           HN       VAL  96 173.364   8.696   0.783
  719    HA   VAL  96           HA       VAL  96 173.903   6.025   1.297
  720    HB   VAL  96           HB       VAL  96 171.528   7.528   2.403
  721   1HG1  VAL  96          1HG1      VAL  96 171.255   5.491   3.331
  722   2HG1  VAL  96          2HG1      VAL  96 172.500   6.068   4.440
  723   3HG1  VAL  96          3HG1      VAL  96 172.939   5.031   3.082
  724   1HG2  VAL  96          1HG2      VAL  96 172.875   8.933   3.477
  725   2HG2  VAL  96          2HG2      VAL  96 174.226   8.298   2.539
  726   3HG2  VAL  96          3HG2      VAL  96 173.837   7.598   4.110
  727    H    LYS  97           HN       LYS  97 170.829   7.483   0.251
  728    HA   LYS  97           HA       LYS  97 169.307   5.207  -0.035
  729   1HB   LYS  97          HB2       LYS  97 169.294   7.634  -1.838
  730   2HB   LYS  97          HB1       LYS  97 167.998   6.453  -1.705
  731   1HG   LYS  97          HG2       LYS  97 167.405   7.159   0.431
  732   2HG   LYS  97          HG1       LYS  97 168.950   7.969   0.694
  733   1HD   LYS  97          HD2       LYS  97 168.372   9.773  -0.668
  734   2HD   LYS  97          HD1       LYS  97 167.087   8.871  -1.475
  735   1HE   LYS  97          HE2       LYS  97 165.664   9.027   0.396
  736   2HE   LYS  97          HE1       LYS  97 166.980   9.537   1.453
  737   1HZ   LYS  97          HZ1       LYS  97 167.113  11.611   0.185
  738   2HZ   LYS  97          HZ2       LYS  97 165.589  11.405   0.888
  739   3HZ   LYS  97          HZ3       LYS  97 165.801  11.121  -0.766
  740    H    ASP  98           HN       ASP  98 171.724   6.505  -2.287
  741    HA   ASP  98           HA       ASP  98 171.151   4.793  -4.417
  742   1HB   ASP  98          HB2       ASP  98 173.426   6.506  -3.670
  743   2HB   ASP  98          HB1       ASP  98 173.768   5.216  -4.818
  744    H    LEU  99           HN       LEU  99 173.569   4.623  -2.007
  745    HA   LEU  99           HA       LEU  99 174.729   2.180  -2.488
  746   1HB   LEU  99          HB2       LEU  99 175.738   3.383  -0.848
  747   2HB   LEU  99          HB1       LEU  99 174.197   4.039  -0.309
  748    HG   LEU  99           HG       LEU  99 173.996   1.489   0.622
  749   1HD1  LEU  99          HD11      LEU  99 176.192   0.833  -0.140
  750   2HD1  LEU  99          HD12      LEU  99 176.166   0.898   1.623
  751   3HD1  LEU  99          HD13      LEU  99 176.922   2.200   0.703
  752   1HD2  LEU  99          HD21      LEU  99 173.651   3.573   1.881
  753   2HD2  LEU  99          HD22      LEU  99 175.399   3.757   2.029
  754   3HD2  LEU  99          HD23      LEU  99 174.588   2.391   2.794
  755    H    LEU 100           HN       LEU 100 171.663   3.033  -1.051
  756    HA   LEU 100           HA       LEU 100 170.993   0.454  -0.046
  757   1HB   LEU 100          HB2       LEU 100 169.898   2.222   1.013
  758   2HB   LEU 100          HB1       LEU 100 169.515   3.020  -0.489
  759    HG   LEU 100           HG       LEU 100 167.632   1.907   0.899
  760   1HD1  LEU 100          HD11      LEU 100 166.339   1.539  -1.089
  761   2HD1  LEU 100          HD12      LEU 100 167.801   1.366  -2.058
  762   3HD1  LEU 100          HD13      LEU 100 167.402   2.923  -1.337
  763   1HD2  LEU 100          HD21      LEU 100 167.715  -0.510  -0.614
  764   2HD2  LEU 100          HD22      LEU 100 167.618  -0.293   1.132
  765   3HD2  LEU 100          HD23      LEU 100 169.191  -0.374   0.342
  766    H    LEU 101           HN       LEU 101 170.417   2.195  -3.073
  767    HA   LEU 101           HA       LEU 101 168.548   0.475  -4.214
  768   1HB   LEU 101          HB2       LEU 101 170.754   1.741  -5.798
  769   2HB   LEU 101          HB1       LEU 101 169.114   1.411  -6.284
  770    HG   LEU 101           HG       LEU 101 169.786   3.477  -4.219
  771   1HD1  LEU 101          HD11      LEU 101 169.520   5.122  -6.046
  772   2HD1  LEU 101          HD12      LEU 101 169.497   3.788  -7.199
  773   3HD1  LEU 101          HD13      LEU 101 170.945   4.097  -6.237
  774   1HD2  LEU 101          HD21      LEU 101 167.529   4.323  -5.262
  775   2HD2  LEU 101          HD22      LEU 101 167.537   3.092  -4.000
  776   3HD2  LEU 101          HD23      LEU 101 167.344   2.622  -5.689
  777    H    HIS 102           HN       HIS 102 172.056   0.539  -4.593
  778    HA   HIS 102           HA       HIS 102 172.232  -1.835  -6.110
  779   1HB   HIS 102          HB2       HIS 102 174.071  -0.325  -6.168
  780   2HB   HIS 102          HB1       HIS 102 174.263  -0.377  -4.419
  781    HD2  HIS 102           HD2      HIS 102 175.893  -2.333  -3.465
  782    HE1  HIS 102           HE1      HIS 102 176.567  -4.236  -7.185
  783    HE2  HIS 102           HE2      HIS 102 177.108  -4.259  -4.708
  784    H    LEU 103           HN       LEU 103 173.175  -1.402  -2.683
  785    HA   LEU 103           HA       LEU 103 173.680  -4.024  -2.097
  786   1HB   LEU 103          HB2       LEU 103 172.723  -1.717  -0.467
  787   2HB   LEU 103          HB1       LEU 103 172.844  -3.302   0.267
  788    HG   LEU 103           HG       LEU 103 175.187  -2.185  -1.215
  789   1HD1  LEU 103          HD11      LEU 103 174.299  -0.493   0.465
  790   2HD1  LEU 103          HD12      LEU 103 175.984  -0.983   0.621
  791   3HD1  LEU 103          HD13      LEU 103 174.771  -1.653   1.706
  792   1HD2  LEU 103          HD21      LEU 103 176.299  -3.896  -0.320
  793   2HD2  LEU 103          HD22      LEU 103 174.713  -4.567   0.055
  794   3HD2  LEU 103          HD23      LEU 103 175.590  -3.643   1.275
  795    H    LYS 104           HN       LYS 104 170.505  -2.403  -2.006
  796    HA   LYS 104           HA       LYS 104 169.122  -4.669  -1.011
  797   1HB   LYS 104          HB2       LYS 104 167.207  -3.438  -1.203
  798   2HB   LYS 104          HB1       LYS 104 168.377  -2.133  -1.257
  799   1HG   LYS 104          HG2       LYS 104 168.230  -2.578  -3.855
  800   2HG   LYS 104          HG1       LYS 104 166.657  -3.237  -3.409
  801   1HD   LYS 104          HD2       LYS 104 167.621  -0.499  -2.608
  802   2HD   LYS 104          HD1       LYS 104 166.640  -0.813  -4.040
  803   1HE   LYS 104          HE2       LYS 104 164.997  -1.945  -2.441
  804   2HE   LYS 104          HE1       LYS 104 165.904  -1.161  -1.149
  805   1HZ   LYS 104          HZ1       LYS 104 164.088  -0.012  -3.099
  806   2HZ   LYS 104          HZ2       LYS 104 165.475   0.900  -2.775
  807   3HZ   LYS 104          HZ3       LYS 104 164.428   0.476  -1.515
  808    H    LYS 105           HN       LYS 105 170.020  -3.548  -4.192
  809    HA   LYS 105           HA       LYS 105 168.488  -5.372  -5.704
  810   1HB   LYS 105          HB2       LYS 105 170.625  -3.454  -6.156
  811   2HB   LYS 105          HB1       LYS 105 170.849  -4.896  -7.134
  812   1HG   LYS 105          HG2       LYS 105 169.093  -4.430  -8.456
  813   2HG   LYS 105          HG1       LYS 105 168.121  -3.804  -7.123
  814   1HD   LYS 105          HD2       LYS 105 169.523  -1.744  -7.153
  815   2HD   LYS 105          HD1       LYS 105 170.332  -2.370  -8.592
  816   1HE   LYS 105          HE2       LYS 105 168.519  -2.023  -9.932
  817   2HE   LYS 105          HE1       LYS 105 167.367  -2.257  -8.618
  818   1HZ   LYS 105          HZ1       LYS 105 168.492  -0.032  -7.795
  819   2HZ   LYS 105          HZ2       LYS 105 167.190  -0.026  -8.875
  820   3HZ   LYS 105          HZ3       LYS 105 168.768   0.164  -9.453
  821    H    LEU 106           HN       LEU 106 171.413  -5.644  -3.878
  822    HA   LEU 106           HA       LEU 106 172.326  -8.077  -5.075
  823   1HB   LEU 106          HB2       LEU 106 173.693  -6.288  -3.807
  824   2HB   LEU 106          HB1       LEU 106 173.144  -7.119  -2.363
  825    HG   LEU 106           HG       LEU 106 174.188  -9.202  -3.179
  826   1HD1  LEU 106          HD11      LEU 106 175.964  -8.576  -5.084
  827   2HD1  LEU 106          HD12      LEU 106 174.637  -7.515  -5.559
  828   3HD1  LEU 106          HD13      LEU 106 174.373  -9.254  -5.429
  829   1HD2  LEU 106          HD21      LEU 106 176.176  -8.657  -2.274
  830   2HD2  LEU 106          HD22      LEU 106 175.382  -7.115  -1.954
  831   3HD2  LEU 106          HD23      LEU 106 176.421  -7.296  -3.368
  832    H    PHE 107           HN       PHE 107 171.245  -7.413  -1.760
  833    HA   PHE 107           HA       PHE 107 170.878 -10.084  -1.029
  834   1HB   PHE 107          HB2       PHE 107 170.860  -8.309   0.670
  835   2HB   PHE 107          HB1       PHE 107 169.369  -7.661  -0.012
  836    HD1  PHE 107           HD1      PHE 107 167.483  -8.107   1.210
  837    HD2  PHE 107           HD2      PHE 107 170.605 -10.996   1.123
  838    HE1  PHE 107           HE1      PHE 107 166.167  -9.567   2.688
  839    HE2  PHE 107           HE2      PHE 107 169.296 -12.461   2.603
  840    HZ   PHE 107           HZ       PHE 107 167.073 -11.748   3.386
  841    H    ARG 108           HN       ARG 108 168.946  -8.012  -3.005
  842    HA   ARG 108           HA       ARG 108 166.557  -9.627  -2.809
  843   1HB   ARG 108          HB2       ARG 108 167.356  -7.280  -4.518
  844   2HB   ARG 108          HB1       ARG 108 165.855  -8.153  -4.794
  845   1HG   ARG 108          HG2       ARG 108 166.554  -6.981  -2.121
  846   2HG   ARG 108          HG1       ARG 108 165.727  -6.057  -3.376
  847   1HD   ARG 108          HD2       ARG 108 164.704  -8.729  -2.478
  848   2HD   ARG 108          HD1       ARG 108 164.304  -7.255  -1.597
  849    HE   ARG 108           HE       ARG 108 163.774  -6.983  -4.378
  850   1HH1  ARG 108          HH11      ARG 108 162.519  -8.374  -1.434
  851   2HH1  ARG 108          HH12      ARG 108 160.873  -8.337  -1.971
  852   1HH2  ARG 108          HH21      ARG 108 161.610  -6.934  -5.086
  853   2HH2  ARG 108          HH22      ARG 108 160.356  -7.520  -4.044
  854    H    GLU 109           HN       GLU 109 169.188  -9.160  -5.120
  855    HA   GLU 109           HA       GLU 109 168.118 -10.872  -7.120
  856   1HB   GLU 109          HB2       GLU 109 170.843  -9.730  -6.578
  857   2HB   GLU 109          HB1       GLU 109 170.609 -10.918  -7.853
  858   1HG   GLU 109          HG2       GLU 109 168.773  -8.603  -7.830
  859   2HG   GLU 109          HG1       GLU 109 170.454  -8.293  -8.263
  860    H    GLY 110           HN       GLY 110 169.931 -11.408  -4.213
  861   1HA   GLY 110          HA2       GLY 110 169.628 -13.732  -3.343
  862   2HA   GLY 110          HA1       GLY 110 170.186 -14.263  -4.922
  863    H    ARG 111           HN       ARG 111 171.330 -14.892  -2.345
  864    HA   ARG 111           HA       ARG 111 173.822 -13.400  -2.285
  865   1HB   ARG 111          HB2       ARG 111 173.768 -15.647  -0.467
  866   2HB   ARG 111          HB1       ARG 111 173.902 -13.935  -0.120
  867   1HG   ARG 111          HG2       ARG 111 171.994 -14.368   1.007
  868   2HG   ARG 111          HG1       ARG 111 171.292 -14.011  -0.571
  869   1HD   ARG 111          HD2       ARG 111 170.393 -16.070   0.512
  870   2HD   ARG 111          HD1       ARG 111 171.092 -16.339  -1.083
  871    HE   ARG 111           HE       ARG 111 172.937 -16.779   1.075
  872   1HH1  ARG 111          HH11      ARG 111 170.445 -18.222  -0.896
  873   2HH1  ARG 111          HH12      ARG 111 171.005 -19.841  -0.639
  874   1HH2  ARG 111          HH21      ARG 111 173.675 -18.907   1.413
  875   2HH2  ARG 111          HH22      ARG 111 172.838 -20.230   0.672
  876    H    PHE 112           HN       PHE 112 173.466 -14.765  -4.604
  877    HA   PHE 112           HA       PHE 112 174.909 -17.264  -4.518
  878   1HB   PHE 112          HB2       PHE 112 174.098 -17.582  -6.620
  879   2HB   PHE 112          HB1       PHE 112 172.957 -16.350  -6.108
  880    HD1  PHE 112           HD1      PHE 112 172.860 -14.254  -7.147
  881    HD2  PHE 112           HD2      PHE 112 176.043 -16.933  -8.017
  882    HE1  PHE 112           HE1      PHE 112 173.537 -12.825  -9.039
  883    HE2  PHE 112           HE2      PHE 112 176.732 -15.514  -9.912
  884    HZ   PHE 112           HZ       PHE 112 175.477 -13.455 -10.423
  885    H    ASN 113           HN       ASN 113 175.413 -13.926  -5.375
  886    HA   ASN 113           HA       ASN 113 178.172 -14.488  -6.204
  887   1HB   ASN 113          HB2       ASN 113 176.341 -12.874  -7.367
  888   2HB   ASN 113          HB1       ASN 113 177.143 -11.714  -6.312
  889   1HD2  ASN 113          HD21      ASN 113 177.126 -11.925  -9.226
  890   2HD2  ASN 113          HD22      ASN 113 178.783 -12.045  -9.702
  Start of MODEL    9
    1   1H    GLY   1          HT1       GLY   1 186.774   3.163  16.324
    2   2H    GLY   1          HT2       GLY   1 188.305   3.563  16.920
    3   3H    GLY   1          HT3       GLY   1 187.064   3.149  17.991
    4   1HA   GLY   1          HA1       GLY   1 187.093   0.959  16.497
    5   2HA   GLY   1          HA2       GLY   1 188.778   1.443  16.374
    6    H    GLY   2           HN       GLY   2 186.889  -0.590  17.967
    7   1HA   GLY   2          HA2       GLY   2 188.698  -0.673  20.253
    8   2HA   GLY   2          HA1       GLY   2 186.992  -0.462  20.616
    9    HA   PRO   3           HA       PRO   3 187.704  -5.007  20.604
   10   1HB   PRO   3          HB2       PRO   3 185.880  -5.547  22.539
   11   2HB   PRO   3          HB1       PRO   3 187.538  -5.049  22.896
   12   1HG   PRO   3          HG2       PRO   3 185.032  -3.410  22.871
   13   2HG   PRO   3          HG1       PRO   3 186.361  -3.404  24.046
   14   1HD   PRO   3          HD2       PRO   3 186.126  -1.533  22.103
   15   2HD   PRO   3          HD1       PRO   3 187.700  -2.083  22.713
   16    H    VAL   4           HN       VAL   4 185.665  -6.705  20.924
   17    HA   VAL   4           HA       VAL   4 184.002  -7.710  19.733
   18    HB   VAL   4           HB       VAL   4 182.768  -4.964  19.964
   19   1HG1  VAL   4          1HG1      VAL   4 181.345  -5.979  18.486
   20   2HG1  VAL   4          2HG1      VAL   4 180.655  -6.546  20.007
   21   3HG1  VAL   4          3HG1      VAL   4 181.717  -7.600  19.072
   22   1HG2  VAL   4          1HG2      VAL   4 181.965  -7.152  21.771
   23   2HG2  VAL   4          2HG2      VAL   4 182.159  -5.428  22.089
   24   3HG2  VAL   4          3HG2      VAL   4 183.574  -6.479  22.031
   25    HA   PRO   5           HA       PRO   5 185.407  -5.998  15.659
   26   1HB   PRO   5          HB2       PRO   5 186.149  -8.381  14.610
   27   2HB   PRO   5          HB1       PRO   5 187.217  -7.416  15.636
   28   1HG   PRO   5          HG2       PRO   5 185.528  -9.781  16.356
   29   2HG   PRO   5          HG1       PRO   5 187.198  -9.414  16.828
   30   1HD   PRO   5          HD2       PRO   5 185.081  -8.970  18.464
   31   2HD   PRO   5          HD1       PRO   5 186.541  -7.960  18.489
   32    HA   PRO   6           HA       PRO   6 181.254  -7.260  14.286
   33   1HB   PRO   6          HB2       PRO   6 180.969  -5.273  12.459
   34   2HB   PRO   6          HB1       PRO   6 180.690  -5.034  14.188
   35   1HG   PRO   6          HG2       PRO   6 183.105  -4.366  12.549
   36   2HG   PRO   6          HG1       PRO   6 182.303  -3.402  13.803
   37   1HD   PRO   6          HD2       PRO   6 184.553  -4.826  14.283
   38   2HD   PRO   6          HD1       PRO   6 183.305  -4.570  15.520
   39    H    SER   7           HN       SER   7 182.527  -9.141  13.398
   40    HA   SER   7           HA       SER   7 183.372  -8.895  10.633
   41   1HB   SER   7          HB2       SER   7 184.628 -10.313  12.257
   42   2HB   SER   7          HB1       SER   7 183.224 -11.374  12.364
   43    HG   SER   7           HG       SER   7 185.162 -11.517  10.628
   44    H    THR   8           HN       THR   8 180.897 -10.672  12.467
   45    HA   THR   8           HA       THR   8 179.669 -11.854  10.214
   46    HB   THR   8           HB       THR   8 178.257 -11.204  12.796
   47    HG1  THR   8           1HG      THR   8 179.363 -12.709  13.798
   48   1HG2  THR   8          1HG2      THR   8 176.659 -12.450  11.913
   49   2HG2  THR   8          2HG2      THR   8 177.758 -13.825  12.033
   50   3HG2  THR   8          3HG2      THR   8 177.673 -12.891  10.539
   51    H    ALA   9           HN       ALA   9 179.268  -8.761  11.804
   52    HA   ALA   9           HA       ALA   9 176.802  -8.035  10.648
   53   1HB   ALA   9          HB1       ALA   9 177.474  -6.756  12.487
   54   2HB   ALA   9          HB2       ALA   9 177.645  -5.666  11.110
   55   3HB   ALA   9          HB3       ALA   9 179.069  -6.444  11.801
   56    H    LEU  10           HN       LEU  10 180.087  -7.945   9.470
   57    HA   LEU  10           HA       LEU  10 179.613  -6.194   7.277
   58   1HB   LEU  10          HB2       LEU  10 181.860  -6.550   8.136
   59   2HB   LEU  10          HB1       LEU  10 181.770  -8.256   7.744
   60    HG   LEU  10           HG       LEU  10 181.492  -6.220   5.566
   61   1HD1  LEU  10          HD11      LEU  10 183.499  -5.567   6.776
   62   2HD1  LEU  10          HD12      LEU  10 183.912  -6.293   5.223
   63   3HD1  LEU  10          HD13      LEU  10 184.094  -7.225   6.708
   64   1HD2  LEU  10          HD21      LEU  10 182.125  -9.113   5.821
   65   2HD2  LEU  10          HD22      LEU  10 182.850  -8.213   4.488
   66   3HD2  LEU  10          HD23      LEU  10 181.095  -8.276   4.658
   67    H    ARG  11           HN       ARG  11 179.823  -9.733   7.563
   68    HA   ARG  11           HA       ARG  11 179.397 -10.372   4.891
   69   1HB   ARG  11          HB2       ARG  11 178.809 -12.566   5.626
   70   2HB   ARG  11          HB1       ARG  11 180.037 -11.964   6.730
   71   1HG   ARG  11          HG2       ARG  11 178.685 -12.125   8.490
   72   2HG   ARG  11          HG1       ARG  11 177.335 -11.379   7.634
   73   1HD   ARG  11          HD2       ARG  11 176.507 -13.490   7.999
   74   2HD   ARG  11          HD1       ARG  11 177.232 -13.686   6.404
   75    HE   ARG  11           HE       ARG  11 179.196 -14.344   8.229
   76   1HH1  ARG  11          HH11      ARG  11 176.013 -15.502   7.386
   77   2HH1  ARG  11          HH12      ARG  11 176.349 -17.137   7.848
   78   1HH2  ARG  11          HH21      ARG  11 179.640 -16.494   8.836
   79   2HH2  ARG  11          HH22      ARG  11 178.407 -17.700   8.671
   80    H    GLU  12           HN       GLU  12 177.214  -9.143   7.262
   81    HA   GLU  12           HA       GLU  12 174.779 -10.003   6.121
   82   1HB   GLU  12          HB2       GLU  12 175.634  -8.213   8.245
   83   2HB   GLU  12          HB1       GLU  12 174.246  -7.573   7.376
   84   1HG   GLU  12          HG2       GLU  12 172.909  -9.408   7.925
   85   2HG   GLU  12          HG1       GLU  12 174.296 -10.390   8.391
   86    H    LEU  13           HN       LEU  13 176.427  -6.810   5.923
   87    HA   LEU  13           HA       LEU  13 174.617  -5.863   3.937
   88   1HB   LEU  13          HB2       LEU  13 175.530  -3.921   4.503
   89   2HB   LEU  13          HB1       LEU  13 176.639  -4.776   5.553
   90    HG   LEU  13           HG       LEU  13 178.164  -5.001   3.516
   91   1HD1  LEU  13          HD11      LEU  13 177.635  -2.856   2.020
   92   2HD1  LEU  13          HD12      LEU  13 175.986  -3.329   2.424
   93   3HD1  LEU  13          HD13      LEU  13 177.058  -4.470   1.612
   94   1HD2  LEU  13          HD21      LEU  13 179.207  -2.958   3.982
   95   2HD2  LEU  13          HD22      LEU  13 178.344  -3.367   5.464
   96   3HD2  LEU  13          HD23      LEU  13 177.678  -2.163   4.359
   97    H    ILE  14           HN       ILE  14 177.651  -7.574   3.864
   98    HA   ILE  14           HA       ILE  14 178.321  -7.100   1.173
   99    HB   ILE  14           HB       ILE  14 179.203  -8.929   3.299
  100   1HG1  ILE  14          2HG1      ILE  14 181.411  -8.282   2.444
  101   2HG1  ILE  14          1HG1      ILE  14 180.652  -7.497   1.062
  102   1HG2  ILE  14          1HG2      ILE  14 179.353  -9.754   0.414
  103   2HG2  ILE  14          2HG2      ILE  14 178.788 -10.687   1.799
  104   3HG2  ILE  14          3HG2      ILE  14 180.505 -10.325   1.623
  105   1HD1  ILE  14          HD11      ILE  14 180.106  -6.687   3.900
  106   2HD1  ILE  14          HD12      ILE  14 179.717  -5.811   2.420
  107   3HD1  ILE  14          HD13      ILE  14 181.397  -5.987   2.925
  108    H    GLU  15           HN       GLU  15 176.794  -9.974   2.657
  109    HA   GLU  15           HA       GLU  15 176.251 -11.222   0.179
  110   1HB   GLU  15          HB2       GLU  15 174.844 -11.719   2.801
  111   2HB   GLU  15          HB1       GLU  15 174.980 -12.827   1.443
  112   1HG   GLU  15          HG2       GLU  15 177.451 -11.818   2.766
  113   2HG   GLU  15          HG1       GLU  15 176.510 -13.097   3.530
  114    H    GLU  16           HN       GLU  16 174.266  -9.167   2.272
  115    HA   GLU  16           HA       GLU  16 171.823  -9.571   0.940
  116   1HB   GLU  16          HB2       GLU  16 172.348  -8.473   3.212
  117   2HB   GLU  16          HB1       GLU  16 172.603  -7.009   2.286
  118   1HG   GLU  16          HG2       GLU  16 170.186  -7.888   1.348
  119   2HG   GLU  16          HG1       GLU  16 170.128  -8.335   3.052
  120    H    LEU  17           HN       LEU  17 174.236  -6.997   0.627
  121    HA   LEU  17           HA       LEU  17 172.876  -5.648  -1.462
  122   1HB   LEU  17          HB2       LEU  17 175.678  -5.495  -0.377
  123   2HB   LEU  17          HB1       LEU  17 175.127  -4.494  -1.700
  124    HG   LEU  17           HG       LEU  17 175.108  -3.595   0.756
  125   1HD1  LEU  17          HD11      LEU  17 172.969  -3.196  -1.309
  126   2HD1  LEU  17          HD12      LEU  17 174.409  -2.222  -1.018
  127   3HD1  LEU  17          HD13      LEU  17 173.087  -2.209   0.148
  128   1HD2  LEU  17          HD21      LEU  17 172.891  -3.841   1.807
  129   2HD2  LEU  17          HD22      LEU  17 173.789  -5.357   1.750
  130   3HD2  LEU  17          HD23      LEU  17 172.481  -5.064   0.604
  131    H    VAL  18           HN       VAL  18 175.229  -8.207  -1.290
  132    HA   VAL  18           HA       VAL  18 176.022  -8.046  -3.996
  133    HB   VAL  18           HB       VAL  18 176.983  -9.427  -1.865
  134   1HG1  VAL  18          1HG1      VAL  18 175.090 -11.103  -2.256
  135   2HG1  VAL  18          2HG1      VAL  18 176.725 -11.727  -2.041
  136   3HG1  VAL  18          3HG1      VAL  18 176.027 -11.619  -3.659
  137   1HG2  VAL  18          1HG2      VAL  18 178.312 -10.698  -3.757
  138   2HG2  VAL  18          2HG2      VAL  18 178.529  -8.971  -3.470
  139   3HG2  VAL  18          3HG2      VAL  18 177.488  -9.523  -4.782
  140    H    ASN  19           HN       ASN  19 173.488  -9.628  -2.244
  141    HA   ASN  19           HA       ASN  19 172.578 -11.336  -4.317
  142   1HB   ASN  19          HB2       ASN  19 172.013 -11.699  -1.945
  143   2HB   ASN  19          HB1       ASN  19 171.065 -10.215  -1.946
  144   1HD2  ASN  19          HD21      ASN  19 169.159 -10.133  -3.227
  145   2HD2  ASN  19          HD22      ASN  19 168.314 -11.584  -3.635
  146    H    ILE  20           HN       ILE  20 171.369  -8.174  -3.122
  147    HA   ILE  20           HA       ILE  20 169.340  -7.895  -5.014
  148    HB   ILE  20           HB       ILE  20 169.294  -5.583  -4.416
  149   1HG1  ILE  20          2HG1      ILE  20 172.014  -6.053  -3.211
  150   2HG1  ILE  20          1HG1      ILE  20 171.628  -4.986  -4.561
  151   1HG2  ILE  20          1HG2      ILE  20 168.961  -7.629  -2.669
  152   2HG2  ILE  20          2HG2      ILE  20 168.516  -5.952  -2.351
  153   3HG2  ILE  20          3HG2      ILE  20 170.064  -6.577  -1.782
  154   1HD1  ILE  20          HD11      ILE  20 171.217  -4.600  -1.646
  155   2HD1  ILE  20          HD12      ILE  20 170.076  -3.850  -2.762
  156   3HD1  ILE  20          HD13      ILE  20 171.795  -3.472  -2.872
  157    H    THR  21           HN       THR  21 172.761  -7.048  -5.143
  158    HA   THR  21           HA       THR  21 172.497  -5.695  -7.677
  159    HB   THR  21           HB       THR  21 174.184  -5.053  -5.950
  160    HG1  THR  21           1HG      THR  21 175.235  -5.824  -8.467
  161   1HG2  THR  21          1HG2      THR  21 176.135  -6.267  -5.559
  162   2HG2  THR  21          2HG2      THR  21 175.816  -7.380  -6.888
  163   3HG2  THR  21          3HG2      THR  21 174.836  -7.452  -5.424
  164    H    GLN  22           HN       GLN  22 173.396  -8.900  -6.571
  165    HA   GLN  22           HA       GLN  22 174.082  -9.651  -9.323
  166   1HB   GLN  22          HB2       GLN  22 174.573 -11.195  -6.779
  167   2HB   GLN  22          HB1       GLN  22 175.148 -11.623  -8.384
  168   1HG   GLN  22          HG2       GLN  22 176.069  -9.034  -7.977
  169   2HG   GLN  22          HG1       GLN  22 176.293  -9.842  -6.426
  170   1HE2  GLN  22          1HE2      GLN  22 178.541  -9.748  -6.680
  171   2HE2  GLN  22          2HE2      GLN  22 179.378 -10.812  -7.753
  172    H    ASN  23           HN       ASN  23 172.631 -11.389  -6.608
  173    HA   ASN  23           HA       ASN  23 171.274 -13.325  -7.925
  174   1HB   ASN  23          HB2       ASN  23 171.057 -12.069  -5.336
  175   2HB   ASN  23          HB1       ASN  23 169.464 -12.529  -5.929
  176   1HD2  ASN  23          HD21      ASN  23 172.590 -13.649  -4.930
  177   2HD2  ASN  23          HD22      ASN  23 172.176 -15.321  -4.797
  178    H    GLN  24           HN       GLN  24 169.809 -10.171  -7.095
  179    HA   GLN  24           HA       GLN  24 167.446 -10.638  -8.579
  180   1HB   GLN  24          HB2       GLN  24 168.709  -8.276  -7.276
  181   2HB   GLN  24          HB1       GLN  24 167.442  -7.981  -8.460
  182   1HG   GLN  24          HG2       GLN  24 166.323  -9.925  -6.918
  183   2HG   GLN  24          HG1       GLN  24 167.271  -9.025  -5.737
  184   1HE2  GLN  24          1HE2      GLN  24 167.078  -6.496  -6.924
  185   2HE2  GLN  24          2HE2      GLN  24 165.448  -5.945  -6.772
  186    H    LYS  25           HN       LYS  25 168.408 -11.451 -10.570
  187    HA   LYS  25           HA       LYS  25 170.028  -9.949 -12.278
  188   1HB   LYS  25          HB2       LYS  25 167.932 -12.018 -12.959
  189   2HB   LYS  25          HB1       LYS  25 169.141 -11.411 -14.081
  190   1HG   LYS  25          HG2       LYS  25 169.976 -12.637 -11.488
  191   2HG   LYS  25          HG1       LYS  25 169.544 -13.654 -12.864
  192   1HD   LYS  25          HD2       LYS  25 171.198 -11.959 -14.099
  193   2HD   LYS  25          HD1       LYS  25 171.876 -11.867 -12.472
  194   1HE   LYS  25          HE2       LYS  25 171.711 -14.486 -12.608
  195   2HE   LYS  25          HE1       LYS  25 171.724 -14.182 -14.345
  196   1HZ   LYS  25          HZ1       LYS  25 173.941 -14.545 -13.114
  197   2HZ   LYS  25          HZ2       LYS  25 173.758 -12.940 -12.615
  198   3HZ   LYS  25          HZ3       LYS  25 173.840 -13.308 -14.264
  199    H    ALA  26           HN       ALA  26 166.700  -9.584 -11.487
  200    HA   ALA  26           HA       ALA  26 166.079  -8.044 -13.859
  201   1HB   ALA  26          HB1       ALA  26 163.934  -8.442 -13.364
  202   2HB   ALA  26          HB2       ALA  26 164.139  -7.968 -11.678
  203   3HB   ALA  26          HB3       ALA  26 164.561  -9.601 -12.192
  204    HA   PRO  27           HA       PRO  27 166.648  -4.061 -12.040
  205   1HB   PRO  27          HB2       PRO  27 164.820  -2.556 -13.129
  206   2HB   PRO  27          HB1       PRO  27 165.910  -3.479 -14.184
  207   1HG   PRO  27          HG2       PRO  27 163.209  -4.233 -13.187
  208   2HG   PRO  27          HG1       PRO  27 163.727  -4.142 -14.882
  209   1HD   PRO  27          HD2       PRO  27 163.707  -6.466 -13.496
  210   2HD   PRO  27          HD1       PRO  27 164.974  -6.118 -14.692
  211    H    LEU  28           HN       LEU  28 165.393  -2.120 -10.998
  212    HA   LEU  28           HA       LEU  28 163.855  -3.264  -8.790
  213   1HB   LEU  28          HB2       LEU  28 165.915  -1.459  -8.826
  214   2HB   LEU  28          HB1       LEU  28 164.520  -0.408  -8.681
  215    HG   LEU  28           HG       LEU  28 163.808  -1.617  -6.666
  216   1HD1  LEU  28          HD11      LEU  28 165.635  -3.136  -5.656
  217   2HD1  LEU  28          HD12      LEU  28 166.195  -3.298  -7.321
  218   3HD1  LEU  28          HD13      LEU  28 164.560  -3.798  -6.888
  219   1HD2  LEU  28          HD21      LEU  28 166.448  -0.284  -6.872
  220   2HD2  LEU  28          HD22      LEU  28 166.051  -1.080  -5.349
  221   3HD2  LEU  28          HD23      LEU  28 165.003   0.191  -5.980
  222    H    CYS  29           HN       CYS  29 161.727  -3.133  -8.783
  223    HA   CYS  29           HA       CYS  29 159.595  -2.450  -9.154
  224   1HB   CYS  29          HB2       CYS  29 161.091   0.143  -9.228
  225   2HB   CYS  29          HB1       CYS  29 159.386   0.118  -9.662
  226    H    ASN  30           HN       ASN  30 161.061  -0.127 -11.401
  227    HA   ASN  30           HA       ASN  30 160.639  -1.701 -13.725
  228   1HB   ASN  30          HB2       ASN  30 158.762  -0.455 -14.696
  229   2HB   ASN  30          HB1       ASN  30 158.283  -1.261 -13.205
  230   1HD2  ASN  30          HD21      ASN  30 157.386  -0.091 -11.645
  231   2HD2  ASN  30          HD22      ASN  30 157.294   1.633 -11.617
  232    H    GLY  31           HN       GLY  31 162.705  -0.059 -12.609
  233   1HA   GLY  31          HA2       GLY  31 164.366   1.190 -13.678
  234   2HA   GLY  31          HA1       GLY  31 163.218   1.592 -14.945
  235    H    SER  32           HN       SER  32 162.348   2.040 -11.612
  236    HA   SER  32           HA       SER  32 161.718   4.760 -11.963
  237   1HB   SER  32          HB2       SER  32 162.168   3.167  -9.430
  238   2HB   SER  32          HB1       SER  32 161.478   4.790  -9.479
  239    HG   SER  32           HG       SER  32 159.865   3.161  -9.431
  240    H    MET  33           HN       MET  33 163.182   6.304 -12.361
  241    HA   MET  33           HA       MET  33 165.872   6.256 -12.010
  242   1HB   MET  33          HB2       MET  33 164.163   8.718 -11.670
  243   2HB   MET  33          HB1       MET  33 165.835   8.650 -12.191
  244   1HG   MET  33          HG2       MET  33 164.849   7.139 -14.091
  245   2HG   MET  33          HG1       MET  33 163.367   7.996 -13.682
  246   1HE   MET  33          HE1       MET  33 167.182   9.175 -15.522
  247   2HE   MET  33          HE2       MET  33 167.005   8.413 -13.941
  248   3HE   MET  33          HE3       MET  33 167.174  10.164 -14.062
  249    H    VAL  34           HN       VAL  34 167.245   7.502 -10.536
  250    HA   VAL  34           HA       VAL  34 166.209   7.738  -7.806
  251    HB   VAL  34           HB       VAL  34 168.434   6.642  -7.054
  252   1HG1  VAL  34          1HG1      VAL  34 166.182   4.998  -8.204
  253   2HG1  VAL  34          2HG1      VAL  34 166.241   5.708  -6.591
  254   3HG1  VAL  34          3HG1      VAL  34 167.371   4.428  -7.033
  255   1HG2  VAL  34          1HG2      VAL  34 168.761   6.423  -9.811
  256   2HG2  VAL  34          2HG2      VAL  34 168.358   4.793  -9.274
  257   3HG2  VAL  34          3HG2      VAL  34 169.729   5.642  -8.564
  258    H    TRP  35           HN       TRP  35 167.953   8.651  -6.323
  259    HA   TRP  35           HA       TRP  35 168.883  11.113  -7.444
  260   1HB   TRP  35          HB2       TRP  35 168.804   9.860  -4.748
  261   2HB   TRP  35          HB1       TRP  35 169.955  11.159  -5.004
  262    HD1  TRP  35           HD1      TRP  35 166.934  10.922  -3.403
  263    HE1  TRP  35           HE1      TRP  35 165.447  12.986  -3.663
  264    HE3  TRP  35           HE3      TRP  35 169.171  13.042  -7.482
  265    HZ2  TRP  35           HZ2      TRP  35 165.222  15.229  -5.366
  266    HZ3  TRP  35           HZ3      TRP  35 168.255  15.148  -8.365
  267    HH2  TRP  35           HH2      TRP  35 166.321  16.218  -7.328
  268    H    SER  36           HN       SER  36 170.318   8.064  -6.631
  269    HA   SER  36           HA       SER  36 172.313   7.131  -7.156
  270   1HB   SER  36          HB2       SER  36 172.240   8.307  -9.264
  271   2HB   SER  36          HB1       SER  36 172.833   9.764  -8.490
  272    HG   SER  36           HG       SER  36 174.734   9.023  -8.976
  273    H    ILE  37           HN       ILE  37 174.650   7.343  -6.683
  274    HA   ILE  37           HA       ILE  37 175.218   9.230  -4.512
  275    HB   ILE  37           HB       ILE  37 176.635   7.060  -3.688
  276   1HG1  ILE  37          2HG1      ILE  37 174.038   6.015  -4.847
  277   2HG1  ILE  37          1HG1      ILE  37 175.666   5.551  -5.333
  278   1HG2  ILE  37          1HG2      ILE  37 174.792   6.765  -2.020
  279   2HG2  ILE  37          2HG2      ILE  37 173.822   7.878  -2.987
  280   3HG2  ILE  37          3HG2      ILE  37 175.320   8.434  -2.239
  281   1HD1  ILE  37          HD11      ILE  37 174.386   3.961  -3.818
  282   2HD1  ILE  37          HD12      ILE  37 174.677   5.137  -2.535
  283   3HD1  ILE  37          HD13      ILE  37 176.038   4.369  -3.355
  284    H    ASN  38           HN       ASN  38 177.303   9.958  -4.378
  285    HA   ASN  38           HA       ASN  38 179.159   8.972  -6.430
  286   1HB   ASN  38          HB2       ASN  38 178.064  11.431  -6.541
  287   2HB   ASN  38          HB1       ASN  38 179.450  11.780  -5.511
  288   1HD2  ASN  38          HD21      ASN  38 180.625  12.950  -6.931
  289   2HD2  ASN  38          HD22      ASN  38 181.281  12.316  -8.399
  290    H    LEU  39           HN       LEU  39 178.927   8.019  -3.853
  291    HA   LEU  39           HA       LEU  39 179.999   7.779  -1.822
  292   1HB   LEU  39          HB2       LEU  39 181.879   7.300  -4.070
  293   2HB   LEU  39          HB1       LEU  39 182.514   7.236  -2.435
  294    HG   LEU  39           HG       LEU  39 180.316   5.678  -2.165
  295   1HD1  LEU  39          HD11      LEU  39 179.803   4.437  -4.021
  296   2HD1  LEU  39          HD12      LEU  39 181.357   4.757  -4.796
  297   3HD1  LEU  39          HD13      LEU  39 180.118   6.010  -4.754
  298   1HD2  LEU  39          HD21      LEU  39 182.982   4.683  -3.149
  299   2HD2  LEU  39          HD22      LEU  39 181.819   3.818  -2.145
  300   3HD2  LEU  39          HD23      LEU  39 182.668   5.223  -1.500
  301    H    THR  40           HN       THR  40 179.737   9.853  -0.955
  302    HA   THR  40           HA       THR  40 182.212  11.102  -0.245
  303    HB   THR  40           HB       THR  40 181.986  12.248  -2.329
  304    HG1  THR  40           1HG      THR  40 182.474  13.983  -1.289
  305   1HG2  THR  40          1HG2      THR  40 180.001  12.404  -3.297
  306   2HG2  THR  40          2HG2      THR  40 179.686  13.769  -2.226
  307   3HG2  THR  40          3HG2      THR  40 179.154  12.151  -1.771
  308    H    ALA  41           HN       ALA  41 181.102  10.188   1.696
  309    HA   ALA  41           HA       ALA  41 180.081  10.516   3.702
  310   1HB   ALA  41          HB1       ALA  41 180.983  12.534   4.190
  311   2HB   ALA  41          HB2       ALA  41 179.311  13.061   4.005
  312   3HB   ALA  41          HB3       ALA  41 180.451  13.262   2.675
  313    H    GLY  42           HN       GLY  42 178.083  10.047   4.409
  314   1HA   GLY  42          HA2       GLY  42 175.776   9.983   4.513
  315   2HA   GLY  42          HA1       GLY  42 175.727  11.264   3.311
  316    H    MET  43           HN       MET  43 177.575   8.465   2.530
  317    HA   MET  43           HA       MET  43 176.141   7.914   0.198
  318   1HB   MET  43          HB2       MET  43 177.402   5.756   0.183
  319   2HB   MET  43          HB1       MET  43 178.413   7.179   0.394
  320   1HG   MET  43          HG2       MET  43 178.127   6.648   2.932
  321   2HG   MET  43          HG1       MET  43 177.723   5.038   2.344
  322   1HE   MET  43          HE1       MET  43 181.816   6.951   2.657
  323   2HE   MET  43          HE2       MET  43 180.422   7.101   3.727
  324   3HE   MET  43          HE3       MET  43 180.421   7.910   2.160
  325    H    TYR  44           HN       TYR  44 176.078   6.234   3.339
  326    HA   TYR  44           HA       TYR  44 174.185   4.283   2.673
  327   1HB   TYR  44          HB2       TYR  44 174.928   5.591   5.287
  328   2HB   TYR  44          HB1       TYR  44 173.675   4.358   5.201
  329    HD1  TYR  44           HD1      TYR  44 174.273   2.131   5.460
  330    HD2  TYR  44           HD2      TYR  44 177.238   4.927   4.238
  331    HE1  TYR  44           HE1      TYR  44 175.989   0.380   5.637
  332    HE2  TYR  44           HE2      TYR  44 178.960   3.181   4.407
  333    HH   TYR  44           HH       TYR  44 178.384   0.169   5.916
  334    H    CYS  45           HN       CYS  45 173.713   7.394   4.328
  335    HA   CYS  45           HA       CYS  45 170.913   7.304   4.410
  336   1HB   CYS  45          HB2       CYS  45 172.546   8.867   5.637
  337   2HB   CYS  45          HB1       CYS  45 172.472   9.865   4.192
  338    H    ALA  46           HN       ALA  46 173.113   8.109   1.864
  339    HA   ALA  46           HA       ALA  46 171.298   9.606   0.260
  340   1HB   ALA  46          HB1       ALA  46 173.581   9.884  -0.245
  341   2HB   ALA  46          HB2       ALA  46 172.917   8.978  -1.604
  342   3HB   ALA  46          HB3       ALA  46 173.852   8.146  -0.363
  343    H    ALA  47           HN       ALA  47 172.256   6.195   0.323
  344    HA   ALA  47           HA       ALA  47 170.570   5.433  -1.842
  345   1HB   ALA  47          HB1       ALA  47 172.118   3.818  -1.674
  346   2HB   ALA  47          HB2       ALA  47 171.005   3.112  -0.502
  347   3HB   ALA  47          HB3       ALA  47 172.363   4.092   0.051
  348    H    LEU  48           HN       LEU  48 170.129   5.690   1.628
  349    HA   LEU  48           HA       LEU  48 167.728   4.148   1.718
  350   1HB   LEU  48          HB2       LEU  48 169.034   4.320   3.704
  351   2HB   LEU  48          HB1       LEU  48 169.042   6.069   3.627
  352    HG   LEU  48           HG       LEU  48 166.682   6.153   4.177
  353   1HD1  LEU  48          HD11      LEU  48 166.870   3.230   3.724
  354   2HD1  LEU  48          HD12      LEU  48 165.572   4.359   3.335
  355   3HD1  LEU  48          HD13      LEU  48 165.781   3.793   4.992
  356   1HD2  LEU  48          HD21      LEU  48 166.877   5.671   6.431
  357   2HD2  LEU  48          HD22      LEU  48 168.563   5.817   5.932
  358   3HD2  LEU  48          HD23      LEU  48 167.840   4.223   6.142
  359    H    GLU  49           HN       GLU  49 168.547   7.568   1.566
  360    HA   GLU  49           HA       GLU  49 165.928   8.506   1.838
  361   1HB   GLU  49          HB2       GLU  49 166.752  10.653   1.111
  362   2HB   GLU  49          HB1       GLU  49 167.937   9.913   2.177
  363   1HG   GLU  49          HG2       GLU  49 169.289  10.698   0.529
  364   2HG   GLU  49          HG1       GLU  49 168.977   9.073  -0.056
  365    H    SER  50           HN       SER  50 167.913   7.874  -1.050
  366    HA   SER  50           HA       SER  50 165.834   8.617  -2.858
  367   1HB   SER  50          HB2       SER  50 167.896   6.726  -3.814
  368   2HB   SER  50          HB1       SER  50 167.357   8.258  -4.497
  369    HG   SER  50           HG       SER  50 169.516   8.318  -3.668
  370    H    LEU  51           HN       LEU  51 166.765   5.621  -1.284
  371    HA   LEU  51           HA       LEU  51 165.256   3.881  -2.942
  372   1HB   LEU  51          HB2       LEU  51 166.525   3.683  -0.253
  373   2HB   LEU  51          HB1       LEU  51 165.349   2.468  -0.706
  374    HG   LEU  51           HG       LEU  51 167.726   3.100  -2.437
  375   1HD1  LEU  51          HD11      LEU  51 168.372   0.752  -1.267
  376   2HD1  LEU  51          HD12      LEU  51 167.593   1.586   0.078
  377   3HD1  LEU  51          HD13      LEU  51 168.973   2.323  -0.737
  378   1HD2  LEU  51          HD21      LEU  51 165.488   1.670  -2.981
  379   2HD2  LEU  51          HD22      LEU  51 166.546   0.413  -2.340
  380   3HD2  LEU  51          HD23      LEU  51 167.062   1.380  -3.721
  381    H    ILE  52           HN       ILE  52 164.546   5.445   0.171
  382    HA   ILE  52           HA       ILE  52 162.047   4.299   0.626
  383    HB   ILE  52           HB       ILE  52 163.238   5.597   2.326
  384   1HG1  ILE  52          2HG1      ILE  52 160.804   7.221   2.177
  385   2HG1  ILE  52          1HG1      ILE  52 160.514   5.506   1.904
  386   1HG2  ILE  52          1HG2      ILE  52 162.788   8.185   2.100
  387   2HG2  ILE  52          2HG2      ILE  52 162.814   7.801   0.379
  388   3HG2  ILE  52          3HG2      ILE  52 164.214   7.432   1.386
  389   1HD1  ILE  52          HD11      ILE  52 161.156   4.925   4.026
  390   2HD1  ILE  52          HD12      ILE  52 160.416   6.501   4.305
  391   3HD1  ILE  52          HD13      ILE  52 162.171   6.352   4.228
  392    H    ASN  53           HN       ASN  53 162.990   6.826  -1.564
  393    HA   ASN  53           HA       ASN  53 160.437   7.981  -1.963
  394   1HB   ASN  53          HB2       ASN  53 163.050   8.022  -3.388
  395   2HB   ASN  53          HB1       ASN  53 161.625   8.497  -4.308
  396   1HD2  ASN  53          HD21      ASN  53 163.481   9.166  -1.398
  397   2HD2  ASN  53          HD22      ASN  53 163.002  10.820  -1.252
  398    H    VAL  54           HN       VAL  54 162.008   5.135  -3.222
  399    HA   VAL  54           HA       VAL  54 160.425   4.695  -5.500
  400    HB   VAL  54           HB       VAL  54 161.633   2.565  -3.730
  401   1HG1  VAL  54          1HG1      VAL  54 161.867   1.577  -6.179
  402   2HG1  VAL  54          2HG1      VAL  54 160.465   2.609  -6.459
  403   3HG1  VAL  54          3HG1      VAL  54 160.404   1.356  -5.219
  404   1HG2  VAL  54          1HG2      VAL  54 163.575   2.719  -5.313
  405   2HG2  VAL  54          2HG2      VAL  54 163.383   4.102  -4.235
  406   3HG2  VAL  54          3HG2      VAL  54 162.875   4.220  -5.920
  407    H    SER  55           HN       SER  55 158.506   3.644  -5.831
  408    HA   SER  55           HA       SER  55 157.061   2.680  -3.458
  409   1HB   SER  55          HB2       SER  55 155.488   4.054  -5.580
  410   2HB   SER  55          HB1       SER  55 155.210   3.981  -3.840
  411    HG   SER  55           HG       SER  55 157.111   5.568  -5.221
  412    H    GLY  56           HN       GLY  56 156.357   0.670  -3.712
  413   1HA   GLY  56          HA2       GLY  56 155.028  -0.934  -4.918
  414   2HA   GLY  56          HA1       GLY  56 155.627  -0.239  -6.417
  415    H    CYS  57           HN       CYS  57 157.849  -0.810  -3.813
  416    HA   CYS  57           HA       CYS  57 158.836  -3.218  -5.172
  417   1HB   CYS  57          HB2       CYS  57 160.223  -0.697  -4.449
  418   2HB   CYS  57          HB1       CYS  57 161.097  -2.186  -4.152
  419    H    SER  58           HN       SER  58 159.850  -1.412  -2.299
  420    HA   SER  58           HA       SER  58 160.139  -2.013  -0.133
  421   1HB   SER  58          HB2       SER  58 157.532  -2.573  -0.788
  422   2HB   SER  58          HB1       SER  58 158.078  -4.102  -0.095
  423    HG   SER  58           HG       SER  58 157.737  -3.143   1.742
  424    H    ALA  59           HN       ALA  59 161.344  -3.701  -2.390
  425    HA   ALA  59           HA       ALA  59 161.672  -6.284  -1.104
  426   1HB   ALA  59          HB1       ALA  59 161.484  -6.036  -3.588
  427   2HB   ALA  59          HB2       ALA  59 162.907  -6.927  -3.048
  428   3HB   ALA  59          HB3       ALA  59 163.063  -5.250  -3.571
  429    H    ILE  60           HN       ILE  60 163.449  -3.321  -1.656
  430    HA   ILE  60           HA       ILE  60 165.909  -4.301  -0.549
  431    HB   ILE  60           HB       ILE  60 166.635  -1.968  -0.824
  432   1HG1  ILE  60          2HG1      ILE  60 164.737  -0.725  -2.340
  433   2HG1  ILE  60          1HG1      ILE  60 163.744  -1.573  -1.162
  434   1HG2  ILE  60          1HG2      ILE  60 167.180  -3.002  -2.750
  435   2HG2  ILE  60          2HG2      ILE  60 165.927  -1.954  -3.417
  436   3HG2  ILE  60          3HG2      ILE  60 165.547  -3.623  -2.994
  437   1HD1  ILE  60          HD11      ILE  60 164.813  -0.469   0.647
  438   2HD1  ILE  60          HD12      ILE  60 164.343   0.752  -0.536
  439   3HD1  ILE  60          HD13      ILE  60 166.025   0.233  -0.425
  440    H    GLU  61           HN       GLU  61 163.111  -3.714   0.949
  441    HA   GLU  61           HA       GLU  61 163.293  -1.845   2.873
  442   1HB   GLU  61          HB2       GLU  61 162.093  -4.517   2.729
  443   2HB   GLU  61          HB1       GLU  61 162.374  -3.943   4.366
  444   1HG   GLU  61          HG2       GLU  61 161.247  -1.758   3.175
  445   2HG   GLU  61          HG1       GLU  61 160.408  -3.095   2.389
  446    H    LYS  62           HN       LYS  62 164.912  -4.976   2.980
  447    HA   LYS  62           HA       LYS  62 166.032  -4.773   5.529
  448   1HB   LYS  62          HB2       LYS  62 166.646  -6.320   3.067
  449   2HB   LYS  62          HB1       LYS  62 167.917  -6.215   4.278
  450   1HG   LYS  62          HG2       LYS  62 166.865  -8.111   4.967
  451   2HG   LYS  62          HG1       LYS  62 165.970  -6.912   5.903
  452   1HD   LYS  62          HD2       LYS  62 164.189  -8.002   5.023
  453   2HD   LYS  62          HD1       LYS  62 164.494  -6.916   3.665
  454   1HE   LYS  62          HE2       LYS  62 165.772  -9.627   3.852
  455   2HE   LYS  62          HE1       LYS  62 164.171  -9.400   3.149
  456   1HZ   LYS  62          HZ1       LYS  62 165.269  -7.698   1.665
  457   2HZ   LYS  62          HZ2       LYS  62 165.669  -9.314   1.368
  458   3HZ   LYS  62          HZ3       LYS  62 166.754  -8.314   2.195
  459    H    THR  63           HN       THR  63 167.384  -3.855   2.377
  460    HA   THR  63           HA       THR  63 169.810  -2.817   3.379
  461    HB   THR  63           HB       THR  63 168.296  -2.283   0.818
  462    HG1  THR  63           1HG      THR  63 170.537  -3.891   1.461
  463   1HG2  THR  63          1HG2      THR  63 169.812  -0.395   1.330
  464   2HG2  THR  63          2HG2      THR  63 170.258  -1.298  -0.119
  465   3HG2  THR  63          3HG2      THR  63 171.153  -1.539   1.381
  466    H    GLN  64           HN       GLN  64 166.616  -1.443   2.948
  467    HA   GLN  64           HA       GLN  64 167.260   1.272   3.173
  468   1HB   GLN  64          HB2       GLN  64 164.857  -0.368   3.338
  469   2HB   GLN  64          HB1       GLN  64 164.794   1.009   4.430
  470   1HG   GLN  64          HG2       GLN  64 164.922   2.549   2.700
  471   2HG   GLN  64          HG1       GLN  64 165.580   1.370   1.570
  472   1HE2  GLN  64          1HE2      GLN  64 163.499   2.990   0.881
  473   2HE2  GLN  64          2HE2      GLN  64 162.059   2.055   0.719
  474    H    ARG  65           HN       ARG  65 165.981  -0.850   5.751
  475    HA   ARG  65           HA       ARG  65 166.381   0.883   7.848
  476   1HB   ARG  65          HB2       ARG  65 165.843  -0.876   9.246
  477   2HB   ARG  65          HB1       ARG  65 165.179  -1.428   7.717
  478   1HG   ARG  65          HG2       ARG  65 167.113  -2.847   7.355
  479   2HG   ARG  65          HG1       ARG  65 167.838  -2.262   8.854
  480   1HD   ARG  65          HD2       ARG  65 165.425  -3.078   9.755
  481   2HD   ARG  65          HD1       ARG  65 165.670  -4.210   8.425
  482    HE   ARG  65           HE       ARG  65 167.325  -5.230   9.637
  483   1HH1  ARG  65          HH11      ARG  65 166.591  -2.144  11.093
  484   2HH1  ARG  65          HH12      ARG  65 167.562  -2.434  12.497
  485   1HH2  ARG  65          HH21      ARG  65 168.602  -5.613  11.483
  486   2HH2  ARG  65          HH22      ARG  65 168.704  -4.403  12.718
  487    H    MET  66           HN       MET  66 168.516  -1.652   6.626
  488    HA   MET  66           HA       MET  66 170.617  -1.433   8.410
  489   1HB   MET  66          HB2       MET  66 170.261  -2.409   5.659
  490   2HB   MET  66          HB1       MET  66 171.910  -1.943   6.050
  491   1HG   MET  66          HG2       MET  66 171.064  -3.438   8.233
  492   2HG   MET  66          HG1       MET  66 170.413  -4.280   6.829
  493   1HE   MET  66          HE1       MET  66 171.481  -6.045   5.888
  494   2HE   MET  66          HE2       MET  66 172.133  -6.510   7.459
  495   3HE   MET  66          HE3       MET  66 173.175  -6.512   6.037
  496    H    LEU  67           HN       LEU  67 169.840   0.544   5.623
  497    HA   LEU  67           HA       LEU  67 172.264   2.048   5.649
  498   1HB   LEU  67          HB2       LEU  67 169.603   2.339   4.300
  499   2HB   LEU  67          HB1       LEU  67 170.784   3.629   4.224
  500    HG   LEU  67           HG       LEU  67 171.216   0.810   3.240
  501   1HD1  LEU  67          HD11      LEU  67 169.625   2.103   1.880
  502   2HD1  LEU  67          HD12      LEU  67 171.126   1.763   1.020
  503   3HD1  LEU  67          HD13      LEU  67 170.839   3.368   1.692
  504   1HD2  LEU  67          HD21      LEU  67 173.017   3.054   3.746
  505   2HD2  LEU  67          HD22      LEU  67 173.141   2.389   2.118
  506   3HD2  LEU  67          HD23      LEU  67 173.370   1.342   3.519
  507    H    SER  68           HN       SER  68 169.005   2.514   6.935
  508    HA   SER  68           HA       SER  68 169.204   5.152   7.770
  509   1HB   SER  68          HB2       SER  68 167.300   4.766   9.071
  510   2HB   SER  68          HB1       SER  68 167.185   3.506   7.843
  511    HG   SER  68           HG       SER  68 167.440   2.047   9.335
  512    H    GLY  69           HN       GLY  69 170.054   2.202   9.503
  513   1HA   GLY  69          HA2       GLY  69 170.819   3.263  11.914
  514   2HA   GLY  69          HA1       GLY  69 171.518   1.818  11.214
  515    H    PHE  70           HN       PHE  70 172.431   3.533   8.867
  516    HA   PHE  70           HA       PHE  70 174.876   4.489  10.174
  517   1HB   PHE  70          HB2       PHE  70 174.302   3.619   7.344
  518   2HB   PHE  70          HB1       PHE  70 175.807   4.402   7.813
  519    HD1  PHE  70           HD1      PHE  70 177.582   3.018   8.215
  520    HD2  PHE  70           HD2      PHE  70 173.650   1.597   9.010
  521    HE1  PHE  70           HE1      PHE  70 178.508   0.838   8.882
  522    HE2  PHE  70           HE2      PHE  70 174.569  -0.585   9.679
  523    HZ   PHE  70           HZ       PHE  70 177.001  -0.966   9.616
  524    H    CYS  71           HN       CYS  71 172.241   5.515   8.107
  525    HA   CYS  71           HA       CYS  71 173.195   7.854   7.042
  526   1HB   CYS  71          HB2       CYS  71 171.043   7.281   6.351
  527   2HB   CYS  71          HB1       CYS  71 170.473   7.030   7.994
  528    HA   PRO  72           HA       PRO  72 174.480  10.320  10.503
  529   1HB   PRO  72          HB2       PRO  72 174.039  12.774   9.225
  530   2HB   PRO  72          HB1       PRO  72 175.543  11.850   9.223
  531   1HG   PRO  72          HG2       PRO  72 173.387  11.971   7.169
  532   2HG   PRO  72          HG1       PRO  72 175.141  11.825   6.953
  533   1HD   PRO  72          HD2       PRO  72 173.534   9.718   6.620
  534   2HD   PRO  72          HD1       PRO  72 175.127   9.540   7.387
  535    H    HIS  73           HN       HIS  73 171.558  11.220   8.736
  536    HA   HIS  73           HA       HIS  73 170.353  12.030  11.301
  537   1HB   HIS  73          HB2       HIS  73 169.576  13.179   8.621
  538   2HB   HIS  73          HB1       HIS  73 169.161  13.784  10.222
  539    HD1  HIS  73           HD1      HIS  73 171.777  13.931   7.615
  540    HD2  HIS  73           HD2      HIS  73 171.284  15.144  11.558
  541    HE1  HIS  73           HE1      HIS  73 173.639  15.563   8.054
  542    HE2  HIS  73           HE2      HIS  73 173.371  16.218  10.472
  543    H    LYS  74           HN       LYS  74 167.773  12.458   9.752
  544    HA   LYS  74           HA       LYS  74 166.974   9.629   9.677
  545   1HB   LYS  74          HB2       LYS  74 165.623  12.121  10.580
  546   2HB   LYS  74          HB1       LYS  74 164.616  10.882   9.842
  547   1HG   LYS  74          HG2       LYS  74 164.545  10.492  12.160
  548   2HG   LYS  74          HG1       LYS  74 165.614   9.257  11.492
  549   1HD   LYS  74          HD2       LYS  74 167.558  10.642  12.128
  550   2HD   LYS  74          HD1       LYS  74 166.458  11.811  12.862
  551   1HE   LYS  74          HE2       LYS  74 165.627  10.002  14.351
  552   2HE   LYS  74          HE1       LYS  74 166.860   8.936  13.678
  553   1HZ   LYS  74          HZ1       LYS  74 167.178  11.257  15.449
  554   2HZ   LYS  74          HZ2       LYS  74 168.438  10.854  14.395
  555   3HZ   LYS  74          HZ3       LYS  74 167.901   9.730  15.539
  556    H    VAL  75           HN       VAL  75 165.232   9.078   8.109
  557    HA   VAL  75           HA       VAL  75 164.804  10.819   5.883
  558    HB   VAL  75           HB       VAL  75 165.819   8.412   4.702
  559   1HG1  VAL  75          1HG1      VAL  75 167.462  10.500   3.943
  560   2HG1  VAL  75          2HG1      VAL  75 165.943  11.290   4.361
  561   3HG1  VAL  75          3HG1      VAL  75 165.964  10.006   3.154
  562   1HG2  VAL  75          1HG2      VAL  75 167.895   9.926   6.275
  563   2HG2  VAL  75          2HG2      VAL  75 168.153   8.534   5.224
  564   3HG2  VAL  75          3HG2      VAL  75 167.256   8.346   6.731
  565    H    SER  76           HN       SER  76 162.642  10.470   6.133
  566    HA   SER  76           HA       SER  76 161.637   7.996   5.247
  567   1HB   SER  76          HB2       SER  76 159.817   8.656   7.154
  568   2HB   SER  76          HB1       SER  76 161.027   7.403   7.193
  569    HG   SER  76           HG       SER  76 161.203   9.982   8.306
  570    H    ALA  77           HN       ALA  77 160.707   8.473   3.727
  571    HA   ALA  77           HA       ALA  77 159.587   9.545   2.005
  572   1HB   ALA  77          HB1       ALA  77 157.448   9.097   2.376
  573   2HB   ALA  77          HB2       ALA  77 157.326  10.367   3.595
  574   3HB   ALA  77          HB3       ALA  77 157.877   8.755   4.052
  575    H    GLY  78           HN       GLY  78 160.644  11.367   1.380
  576   1HA   GLY  78          HA2       GLY  78 161.202  13.583   1.214
  577   2HA   GLY  78          HA1       GLY  78 159.507  13.837   1.581
  578    H    GLN  79           HN       GLN  79 162.744  13.738   2.870
  579    HA   GLN  79           HA       GLN  79 161.905  15.444   5.068
  580   1HB   GLN  79          HB2       GLN  79 162.944  12.669   5.402
  581   2HB   GLN  79          HB1       GLN  79 163.470  13.893   6.549
  582   1HG   GLN  79          HG2       GLN  79 160.568  13.475   5.948
  583   2HG   GLN  79          HG1       GLN  79 161.417  12.476   7.126
  584   1HE2  GLN  79          1HE2      GLN  79 160.650  13.144   9.020
  585   2HE2  GLN  79          2HE2      GLN  79 160.661  14.777   9.583
  586    H    PHE  80           HN       PHE  80 163.254  17.107   5.083
  587    HA   PHE  80           HA       PHE  80 165.698  17.117   3.643
  588   1HB   PHE  80          HB2       PHE  80 165.982  19.383   4.520
  589   2HB   PHE  80          HB1       PHE  80 164.334  19.142   3.949
  590    HD1  PHE  80           HD1      PHE  80 166.464  19.586   6.894
  591    HD2  PHE  80           HD2      PHE  80 162.478  19.133   5.474
  592    HE1  PHE  80           HE1      PHE  80 165.607  20.320   9.080
  593    HE2  PHE  80           HE2      PHE  80 161.613  19.867   7.658
  594    HZ   PHE  80           HZ       PHE  80 163.178  20.462   9.464
  595    H    SER  81           HN       SER  81 167.788  16.962   4.314
  596    HA   SER  81           HA       SER  81 168.684  17.124   6.967
  597   1HB   SER  81          HB2       SER  81 169.291  14.503   6.929
  598   2HB   SER  81          HB1       SER  81 167.831  15.133   7.692
  599    HG   SER  81           HG       SER  81 166.645  14.293   6.146
  600    H    SER  82           HN       SER  82 169.157  15.588   3.821
  601    HA   SER  82           HA       SER  82 172.041  16.146   4.052
  602   1HB   SER  82          HB2       SER  82 172.309  14.396   2.268
  603   2HB   SER  82          HB1       SER  82 171.678  13.779   3.794
  604    HG   SER  82           HG       SER  82 170.416  14.067   1.325
  605    H    LEU  83           HN       LEU  83 173.140  16.893   2.147
  606    HA   LEU  83           HA       LEU  83 171.426  18.056   0.073
  607   1HB   LEU  83          HB2       LEU  83 173.668  19.644   1.287
  608   2HB   LEU  83          HB1       LEU  83 172.376  20.205   0.243
  609    HG   LEU  83           HG       LEU  83 171.715  19.122   2.953
  610   1HD1  LEU  83          HD11      LEU  83 172.048  21.234   3.986
  611   2HD1  LEU  83          HD12      LEU  83 172.470  21.991   2.450
  612   3HD1  LEU  83          HD13      LEU  83 173.558  20.809   3.179
  613   1HD2  LEU  83          HD21      LEU  83 169.918  20.862   2.715
  614   2HD2  LEU  83          HD22      LEU  83 169.846  19.541   1.549
  615   3HD2  LEU  83          HD23      LEU  83 170.481  21.113   1.062
  616    H    HIS  84           HN       HIS  84 172.155  16.669  -1.491
  617    HA   HIS  84           HA       HIS  84 174.491  17.303  -2.872
  618   1HB   HIS  84          HB2       HIS  84 174.816  15.283  -0.763
  619   2HB   HIS  84          HB1       HIS  84 175.403  14.774  -2.343
  620    HD1  HIS  84           HD1      HIS  84 176.765  16.043   0.543
  621    HD2  HIS  84           HD2      HIS  84 176.968  17.311  -3.409
  622    HE1  HIS  84           HE1      HIS  84 178.836  17.463   0.398
  623    HE2  HIS  84           HE2      HIS  84 178.985  18.147  -2.022
  624    H    VAL  85           HN       VAL  85 172.144  14.813  -2.086
  625    HA   VAL  85           HA       VAL  85 172.318  13.247  -4.371
  626    HB   VAL  85           HB       VAL  85 169.845  12.799  -3.886
  627   1HG1  VAL  85          1HG1      VAL  85 170.624  11.827  -1.513
  628   2HG1  VAL  85          2HG1      VAL  85 172.197  12.200  -2.219
  629   3HG1  VAL  85          3HG1      VAL  85 171.091  11.110  -3.056
  630   1HG2  VAL  85          1HG2      VAL  85 169.701  15.068  -2.644
  631   2HG2  VAL  85          2HG2      VAL  85 170.356  14.160  -1.281
  632   3HG2  VAL  85          3HG2      VAL  85 168.823  13.677  -2.009
  633    H    ARG  86           HN       ARG  86 170.754  16.331  -3.830
  634    HA   ARG  86           HA       ARG  86 169.172  16.309  -6.198
  635   1HB   ARG  86          HB2       ARG  86 169.168  17.841  -3.979
  636   2HB   ARG  86          HB1       ARG  86 170.037  18.910  -5.072
  637   1HG   ARG  86          HG2       ARG  86 168.005  19.614  -5.668
  638   2HG   ARG  86          HG1       ARG  86 167.946  18.135  -6.628
  639   1HD   ARG  86          HD2       ARG  86 166.431  17.167  -5.272
  640   2HD   ARG  86          HD1       ARG  86 167.175  17.817  -3.811
  641    HE   ARG  86           HE       ARG  86 165.647  19.504  -3.858
  642   1HH1  ARG  86          HH11      ARG  86 165.868  18.145  -7.065
  643   2HH1  ARG  86          HH12      ARG  86 164.582  19.115  -7.700
  644   1HH2  ARG  86          HH21      ARG  86 163.955  20.781  -4.692
  645   2HH2  ARG  86          HH22      ARG  86 163.496  20.612  -6.354
  646    H    ASP  87           HN       ASP  87 170.484  15.776  -7.939
  647    HA   ASP  87           HA       ASP  87 171.819  17.944  -9.193
  648   1HB   ASP  87          HB2       ASP  87 173.445  15.921  -7.754
  649   2HB   ASP  87          HB1       ASP  87 174.005  16.401  -9.353
  650    H    THR  88           HN       THR  88 172.711  14.545  -9.439
  651    HA   THR  88           HA       THR  88 171.343  14.443 -12.046
  652    HB   THR  88           HB       THR  88 173.326  12.567 -12.263
  653    HG1  THR  88           1HG      THR  88 174.229  13.400 -10.276
  654   1HG2  THR  88          1HG2      THR  88 173.282  15.444 -13.089
  655   2HG2  THR  88          2HG2      THR  88 172.991  14.005 -14.066
  656   3HG2  THR  88          3HG2      THR  88 174.621  14.373 -13.500
  657    H    LYS  89           HN       LYS  89 170.228  12.594 -12.574
  658    HA   LYS  89           HA       LYS  89 169.798  10.715 -10.359
  659   1HB   LYS  89          HB2       LYS  89 168.077  11.808 -12.519
  660   2HB   LYS  89          HB1       LYS  89 167.776  10.148 -12.026
  661   1HG   LYS  89          HG2       LYS  89 166.792  10.779 -10.132
  662   2HG   LYS  89          HG1       LYS  89 168.060  11.949  -9.764
  663   1HD   LYS  89          HD2       LYS  89 166.930  13.338 -11.666
  664   2HD   LYS  89          HD1       LYS  89 165.538  12.308 -11.327
  665   1HE   LYS  89          HE2       LYS  89 166.287  13.047  -8.819
  666   2HE   LYS  89          HE1       LYS  89 166.713  14.485  -9.745
  667   1HZ   LYS  89          HZ1       LYS  89 164.524  14.851  -9.141
  668   2HZ   LYS  89          HZ2       LYS  89 164.063  13.242  -9.381
  669   3HZ   LYS  89          HZ3       LYS  89 164.366  14.241 -10.712
  670    H    ILE  90           HN       ILE  90 169.531   8.444 -10.851
  671    HA   ILE  90           HA       ILE  90 170.765   7.598 -13.381
  672    HB   ILE  90           HB       ILE  90 172.195   6.013 -12.337
  673   1HG1  ILE  90          2HG1      ILE  90 170.978   6.830  -9.687
  674   2HG1  ILE  90          1HG1      ILE  90 170.686   5.307 -10.522
  675   1HG2  ILE  90          1HG2      ILE  90 172.292   8.772 -11.218
  676   2HG2  ILE  90          2HG2      ILE  90 173.375   7.982 -12.364
  677   3HG2  ILE  90          3HG2      ILE  90 173.447   7.568 -10.649
  678   1HD1  ILE  90          HD11      ILE  90 173.463   5.532 -10.294
  679   2HD1  ILE  90          HD12      ILE  90 172.389   4.446  -9.414
  680   3HD1  ILE  90          HD13      ILE  90 172.800   6.021  -8.735
  681    H    GLU  91           HN       GLU  91 170.705   4.968 -13.265
  682    HA   GLU  91           HA       GLU  91 167.881   4.367 -13.284
  683   1HB   GLU  91          HB2       GLU  91 170.364   3.019 -14.233
  684   2HB   GLU  91          HB1       GLU  91 168.949   2.020 -13.933
  685   1HG   GLU  91          HG2       GLU  91 168.923   4.444 -15.709
  686   2HG   GLU  91          HG1       GLU  91 169.229   2.808 -16.289
  687    H    VAL  92           HN       VAL  92 166.806   2.946 -11.981
  688    HA   VAL  92           HA       VAL  92 167.520   2.700  -9.324
  689    HB   VAL  92           HB       VAL  92 165.919   0.438  -9.811
  690   1HG1  VAL  92          1HG1      VAL  92 165.557   3.173  -8.726
  691   2HG1  VAL  92          2HG1      VAL  92 165.347   1.605  -7.947
  692   3HG1  VAL  92          3HG1      VAL  92 164.112   2.214  -9.048
  693   1HG2  VAL  92          1HG2      VAL  92 164.965   2.759 -11.486
  694   2HG2  VAL  92          2HG2      VAL  92 164.125   1.231 -11.213
  695   3HG2  VAL  92          3HG2      VAL  92 165.632   1.258 -12.129
  696    H    ALA  93           HN       ALA  93 167.840   0.213 -11.864
  697    HA   ALA  93           HA       ALA  93 168.911  -1.822 -10.311
  698   1HB   ALA  93          HB1       ALA  93 169.296  -2.905 -12.262
  699   2HB   ALA  93          HB2       ALA  93 170.050  -1.503 -13.020
  700   3HB   ALA  93          HB3       ALA  93 168.293  -1.605 -12.908
  701    H    GLN  94           HN       GLN  94 170.676   0.643 -12.180
  702    HA   GLN  94           HA       GLN  94 173.248  -0.095 -11.323
  703   1HB   GLN  94          HB2       GLN  94 172.135   1.841 -13.025
  704   2HB   GLN  94          HB1       GLN  94 173.036   2.749 -11.819
  705   1HG   GLN  94          HG2       GLN  94 174.240   0.431 -13.288
  706   2HG   GLN  94          HG1       GLN  94 174.256   2.068 -13.942
  707   1HE2  GLN  94          1HE2      GLN  94 175.288   0.065 -11.249
  708   2HE2  GLN  94          2HE2      GLN  94 176.617   1.061 -10.774
  709    H    PHE  95           HN       PHE  95 170.741   1.818  -9.882
  710    HA   PHE  95           HA       PHE  95 172.275   3.209  -7.975
  711   1HB   PHE  95          HB2       PHE  95 169.876   3.663  -8.647
  712   2HB   PHE  95          HB1       PHE  95 169.424   2.308  -7.622
  713    HD1  PHE  95           HD1      PHE  95 171.632   5.298  -7.357
  714    HD2  PHE  95           HD2      PHE  95 168.619   2.895  -5.558
  715    HE1  PHE  95           HE1      PHE  95 171.604   6.801  -5.416
  716    HE2  PHE  95           HE2      PHE  95 168.582   4.399  -3.609
  717    HZ   PHE  95           HZ       PHE  95 170.076   6.355  -3.536
  718    H    VAL  96           HN       VAL  96 170.458   0.194  -7.771
  719    HA   VAL  96           HA       VAL  96 171.077  -0.392  -5.095
  720    HB   VAL  96           HB       VAL  96 170.622  -2.493  -7.206
  721   1HG1  VAL  96          1HG1      VAL  96 171.232  -3.063  -4.807
  722   2HG1  VAL  96          2HG1      VAL  96 169.771  -3.810  -5.453
  723   3HG1  VAL  96          3HG1      VAL  96 169.649  -2.425  -4.366
  724   1HG2  VAL  96          1HG2      VAL  96 168.758  -1.325  -7.727
  725   2HG2  VAL  96          2HG2      VAL  96 168.784  -0.407  -6.221
  726   3HG2  VAL  96          3HG2      VAL  96 168.141  -2.049  -6.242
  727    H    LYS  97           HN       LYS  97 172.560  -1.547  -8.112
  728    HA   LYS  97           HA       LYS  97 174.563  -3.125  -7.023
  729   1HB   LYS  97          HB2       LYS  97 174.568  -1.462  -9.544
  730   2HB   LYS  97          HB1       LYS  97 175.819  -2.630  -9.147
  731   1HG   LYS  97          HG2       LYS  97 174.567  -4.357  -9.793
  732   2HG   LYS  97          HG1       LYS  97 173.131  -3.737  -8.976
  733   1HD   LYS  97          HD2       LYS  97 173.082  -2.027 -10.933
  734   2HD   LYS  97          HD1       LYS  97 174.121  -3.197 -11.749
  735   1HE   LYS  97          HE2       LYS  97 171.379  -3.731 -10.610
  736   2HE   LYS  97          HE1       LYS  97 171.783  -3.569 -12.318
  737   1HZ   LYS  97          HZ1       LYS  97 172.881  -5.662 -10.521
  738   2HZ   LYS  97          HZ2       LYS  97 173.127  -5.537 -12.189
  739   3HZ   LYS  97          HZ3       LYS  97 171.587  -5.893 -11.587
  740    H    ASP  98           HN       ASP  98 174.750   0.343  -7.893
  741    HA   ASP  98           HA       ASP  98 177.377   0.677  -6.990
  742   1HB   ASP  98          HB2       ASP  98 175.189   2.490  -7.779
  743   2HB   ASP  98          HB1       ASP  98 176.454   3.187  -6.772
  744    H    LEU  99           HN       LEU  99 174.409   0.711  -5.421
  745    HA   LEU  99           HA       LEU  99 175.146   1.982  -3.015
  746   1HB   LEU  99          HB2       LEU  99 172.903   1.853  -3.143
  747   2HB   LEU  99          HB1       LEU  99 173.008   0.487  -4.243
  748    HG   LEU  99           HG       LEU  99 173.556  -0.736  -1.873
  749   1HD1  LEU  99          HD11      LEU  99 171.473   1.324  -1.199
  750   2HD1  LEU  99          HD12      LEU  99 173.161   1.453  -0.704
  751   3HD1  LEU  99          HD13      LEU  99 172.175   0.105  -0.137
  752   1HD2  LEU  99          HD21      LEU  99 171.156  -1.401  -1.880
  753   2HD2  LEU  99          HD22      LEU  99 171.954  -1.563  -3.443
  754   3HD2  LEU  99          HD23      LEU  99 170.879  -0.198  -3.139
  755    H    LEU 100           HN       LEU 100 175.256  -1.315  -4.229
  756    HA   LEU 100           HA       LEU 100 176.095  -2.570  -1.812
  757   1HB   LEU 100          HB2       LEU 100 175.107  -3.946  -3.486
  758   2HB   LEU 100          HB1       LEU 100 176.179  -3.337  -4.724
  759    HG   LEU 100           HG       LEU 100 176.487  -5.744  -3.711
  760   1HD1  LEU 100          HD11      LEU 100 177.853  -4.762  -5.465
  761   2HD1  LEU 100          HD12      LEU 100 178.848  -5.648  -4.310
  762   3HD1  LEU 100          HD13      LEU 100 178.795  -3.887  -4.259
  763   1HD2  LEU 100          HD21      LEU 100 177.061  -4.197  -1.440
  764   2HD2  LEU 100          HD22      LEU 100 178.607  -4.805  -2.021
  765   3HD2  LEU 100          HD23      LEU 100 177.300  -5.928  -1.657
  766    H    LEU 101           HN       LEU 101 177.645  -1.089  -4.553
  767    HA   LEU 101           HA       LEU 101 180.296  -1.821  -4.226
  768   1HB   LEU 101          HB2       LEU 101 179.731  -0.669  -6.169
  769   2HB   LEU 101          HB1       LEU 101 178.880   0.575  -5.317
  770    HG   LEU 101           HG       LEU 101 181.195   1.018  -6.500
  771   1HD1  LEU 101          HD11      LEU 101 181.075   3.027  -5.528
  772   2HD1  LEU 101          HD12      LEU 101 181.115   2.362  -3.896
  773   3HD1  LEU 101          HD13      LEU 101 179.599   2.399  -4.797
  774   1HD2  LEU 101          HD21      LEU 101 183.088   0.535  -5.380
  775   2HD2  LEU 101          HD22      LEU 101 182.109  -0.778  -4.727
  776   3HD2  LEU 101          HD23      LEU 101 182.327   0.705  -3.798
  777    H    HIS 102           HN       HIS 102 178.959   1.287  -3.289
  778    HA   HIS 102           HA       HIS 102 181.104   2.029  -1.640
  779   1HB   HIS 102          HB2       HIS 102 179.979   3.980  -1.328
  780   2HB   HIS 102          HB1       HIS 102 179.032   3.359  -2.670
  781    HD2  HIS 102           HD2      HIS 102 178.718   3.332   1.268
  782    HE1  HIS 102           HE1      HIS 102 174.891   3.557  -0.523
  783    HE2  HIS 102           HE2      HIS 102 176.186   3.744   1.648
  784    H    LEU 103           HN       LEU 103 177.930   0.692  -0.670
  785    HA   LEU 103           HA       LEU 103 178.282   0.819   2.054
  786   1HB   LEU 103          HB2       LEU 103 176.837  -1.198   0.359
  787   2HB   LEU 103          HB1       LEU 103 176.730  -1.157   2.102
  788    HG   LEU 103           HG       LEU 103 175.933   1.122   0.307
  789   1HD1  LEU 103          HD11      LEU 103 173.617   0.404   1.198
  790   2HD1  LEU 103          HD12      LEU 103 174.395  -1.155   1.476
  791   3HD1  LEU 103          HD13      LEU 103 174.337  -0.475  -0.149
  792   1HD2  LEU 103          HD21      LEU 103 176.685   1.576   2.705
  793   2HD2  LEU 103          HD22      LEU 103 175.214   0.733   3.190
  794   3HD2  LEU 103          HD23      LEU 103 175.111   2.195   2.210
  795    H    LYS 104           HN       LYS 104 179.123  -1.927  -0.072
  796    HA   LYS 104           HA       LYS 104 180.203  -3.513   1.985
  797   1HB   LYS 104          HB2       LYS 104 180.816  -5.004   0.339
  798   2HB   LYS 104          HB1       LYS 104 179.558  -4.102  -0.489
  799   1HG   LYS 104          HG2       LYS 104 181.585  -2.638  -1.295
  800   2HG   LYS 104          HG1       LYS 104 182.500  -4.100  -0.928
  801   1HD   LYS 104          HD2       LYS 104 180.143  -3.877  -2.797
  802   2HD   LYS 104          HD1       LYS 104 181.832  -4.090  -3.260
  803   1HE   LYS 104          HE2       LYS 104 180.222  -6.044  -1.620
  804   2HE   LYS 104          HE1       LYS 104 180.535  -6.191  -3.349
  805   1HZ   LYS 104          HZ1       LYS 104 182.494  -6.330  -1.131
  806   2HZ   LYS 104          HZ2       LYS 104 182.960  -6.141  -2.746
  807   3HZ   LYS 104          HZ3       LYS 104 182.119  -7.528  -2.266
  808    H    LYS 105           HN       LYS 105 181.673  -1.085  -0.130
  809    HA   LYS 105           HA       LYS 105 184.336  -1.588   0.643
  810   1HB   LYS 105          HB2       LYS 105 182.896   0.265  -1.025
  811   2HB   LYS 105          HB1       LYS 105 184.143   1.108  -0.116
  812   1HG   LYS 105          HG2       LYS 105 185.796   0.162  -1.289
  813   2HG   LYS 105          HG1       LYS 105 185.016  -1.423  -1.248
  814   1HD   LYS 105          HD2       LYS 105 183.565  -0.809  -3.069
  815   2HD   LYS 105          HD1       LYS 105 184.202   0.837  -3.068
  816   1HE   LYS 105          HE2       LYS 105 185.536   0.043  -4.703
  817   2HE   LYS 105          HE1       LYS 105 186.489  -0.563  -3.349
  818   1HZ   LYS 105          HZ1       LYS 105 184.797  -2.016  -5.229
  819   2HZ   LYS 105          HZ2       LYS 105 184.820  -2.577  -3.634
  820   3HZ   LYS 105          HZ3       LYS 105 186.261  -2.473  -4.514
  821    H    LEU 106           HN       LEU 106 181.777   0.188   2.165
  822    HA   LEU 106           HA       LEU 106 183.537   1.730   3.842
  823   1HB   LEU 106          HB2       LEU 106 180.968   2.074   3.029
  824   2HB   LEU 106          HB1       LEU 106 180.725   1.454   4.651
  825    HG   LEU 106           HG       LEU 106 180.758   3.934   4.526
  826   1HD1  LEU 106          HD11      LEU 106 181.537   2.477   6.520
  827   2HD1  LEU 106          HD12      LEU 106 181.875   4.207   6.531
  828   3HD1  LEU 106          HD13      LEU 106 183.146   3.063   6.099
  829   1HD2  LEU 106          HD21      LEU 106 183.705   3.903   4.193
  830   2HD2  LEU 106          HD22      LEU 106 182.529   5.150   3.777
  831   3HD2  LEU 106          HD23      LEU 106 182.712   3.731   2.745
  832    H    PHE 107           HN       PHE 107 181.248  -0.908   4.364
  833    HA   PHE 107           HA       PHE 107 181.978  -1.278   7.088
  834   1HB   PHE 107          HB2       PHE 107 179.823  -2.014   5.796
  835   2HB   PHE 107          HB1       PHE 107 180.747  -3.475   5.457
  836    HD1  PHE 107           HD1      PHE 107 178.631  -1.825   7.758
  837    HD2  PHE 107           HD2      PHE 107 181.797  -4.657   7.509
  838    HE1  PHE 107           HE1      PHE 107 178.018  -2.699   9.975
  839    HE2  PHE 107           HE2      PHE 107 181.188  -5.538   9.725
  840    HZ   PHE 107           HZ       PHE 107 179.298  -4.556  10.961
  841    H    ARG 108           HN       ARG 108 183.311  -2.329   4.094
  842    HA   ARG 108           HA       ARG 108 184.800  -4.513   5.309
  843   1HB   ARG 108          HB2       ARG 108 183.854  -4.718   3.022
  844   2HB   ARG 108          HB1       ARG 108 184.936  -3.438   2.490
  845   1HG   ARG 108          HG2       ARG 108 186.823  -4.944   3.352
  846   2HG   ARG 108          HG1       ARG 108 185.608  -6.223   3.358
  847   1HD   ARG 108          HD2       ARG 108 186.093  -4.521   0.934
  848   2HD   ARG 108          HD1       ARG 108 187.067  -5.954   1.265
  849    HE   ARG 108           HE       ARG 108 184.370  -5.883   0.305
  850   1HH1  ARG 108          HH11      ARG 108 186.686  -7.771   2.108
  851   2HH1  ARG 108          HH12      ARG 108 185.902  -9.279   1.776
  852   1HH2  ARG 108          HH21      ARG 108 183.337  -7.866  -0.131
  853   2HH2  ARG 108          HH22      ARG 108 184.001  -9.333   0.505
  854    H    GLU 109           HN       GLU 109 185.440  -1.313   3.913
  855    HA   GLU 109           HA       GLU 109 188.279  -1.549   4.405
  856   1HB   GLU 109          HB2       GLU 109 186.642   0.842   3.550
  857   2HB   GLU 109          HB1       GLU 109 188.397   0.768   3.582
  858   1HG   GLU 109          HG2       GLU 109 187.101  -1.369   2.048
  859   2HG   GLU 109          HG1       GLU 109 186.874   0.258   1.409
  860    H    GLY 110           HN       GLY 110 185.565  -0.571   6.234
  861   1HA   GLY 110          HA2       GLY 110 186.495   1.476   7.829
  862   2HA   GLY 110          HA1       GLY 110 185.385   0.231   8.374
  863    H    ARG 111           HN       ARG 111 186.046  -1.122   9.930
  864    HA   ARG 111           HA       ARG 111 188.898  -1.101  10.634
  865   1HB   ARG 111          HB2       ARG 111 186.417  -0.906  12.254
  866   2HB   ARG 111          HB1       ARG 111 187.744  -1.827  12.938
  867   1HG   ARG 111          HG2       ARG 111 189.210   0.090  12.769
  868   2HG   ARG 111          HG1       ARG 111 187.934   1.015  11.975
  869   1HD   ARG 111          HD2       ARG 111 186.622   0.293  14.188
  870   2HD   ARG 111          HD1       ARG 111 188.265   0.282  14.825
  871    HE   ARG 111           HE       ARG 111 188.300   2.568  14.693
  872   1HH1  ARG 111          HH11      ARG 111 185.606   1.365  12.829
  873   2HH1  ARG 111          HH12      ARG 111 184.931   2.936  12.557
  874   1HH2  ARG 111          HH21      ARG 111 187.413   4.635  14.337
  875   2HH2  ARG 111          HH22      ARG 111 185.957   4.793  13.413
  876    H    PHE 112           HN       PHE 112 188.066  -2.880   8.767
  877    HA   PHE 112           HA       PHE 112 187.314  -5.405   9.857
  878   1HB   PHE 112          HB2       PHE 112 187.285  -6.119   7.692
  879   2HB   PHE 112          HB1       PHE 112 187.238  -4.385   7.400
  880    HD1  PHE 112           HD1      PHE 112 189.058  -3.244   6.405
  881    HD2  PHE 112           HD2      PHE 112 189.354  -7.357   7.406
  882    HE1  PHE 112           HE1      PHE 112 191.118  -3.411   5.059
  883    HE2  PHE 112           HE2      PHE 112 191.417  -7.548   6.062
  884    HZ   PHE 112           HZ       PHE 112 192.301  -5.568   4.888
  885    H    ASN 113           HN       ASN 113 190.332  -3.853   8.995
  886    HA   ASN 113           HA       ASN 113 192.508  -4.333   9.464
  887   1HB   ASN 113          HB2       ASN 113 191.301  -4.616  11.793
  888   2HB   ASN 113          HB1       ASN 113 191.701  -6.315  11.554
  889   1HD2  ASN 113          HD21      ASN 113 192.992  -3.093  11.935
  890   2HD2  ASN 113          HD22      ASN 113 194.588  -3.575  12.386
  Start of MODEL   10
    1   1H    GLY   1          HT1       GLY   1 196.119   0.476  11.688
    2   2H    GLY   1          HT2       GLY   1 195.204   0.850  10.315
    3   3H    GLY   1          HT3       GLY   1 196.713   1.578  10.549
    4   1HA   GLY   1          HA1       GLY   1 196.460  -0.419   8.917
    5   2HA   GLY   1          HA2       GLY   1 197.889  -0.251   9.925
    6    H    GLY   2           HN       GLY   2 197.730  -2.673   9.228
    7   1HA   GLY   2          HA2       GLY   2 197.750  -4.389  11.196
    8   2HA   GLY   2          HA1       GLY   2 196.011  -4.176  11.070
    9    HA   PRO   3           HA       PRO   3 197.188  -7.903   8.520
   10   1HB   PRO   3          HB2       PRO   3 194.308  -8.360   9.133
   11   2HB   PRO   3          HB1       PRO   3 195.659  -9.498   9.165
   12   1HG   PRO   3          HG2       PRO   3 194.641  -8.540  11.429
   13   2HG   PRO   3          HG1       PRO   3 196.389  -8.777  11.246
   14   1HD   PRO   3          HD2       PRO   3 194.799  -6.253  11.174
   15   2HD   PRO   3          HD1       PRO   3 196.427  -6.545  11.819
   16    H    VAL   4           HN       VAL   4 194.571  -5.582   8.388
   17    HA   VAL   4           HA       VAL   4 193.453  -4.612   6.670
   18    HB   VAL   4           HB       VAL   4 195.734  -5.760   5.067
   19   1HG1  VAL   4          1HG1      VAL   4 195.115  -4.195   3.302
   20   2HG1  VAL   4          2HG1      VAL   4 193.718  -3.672   4.242
   21   3HG1  VAL   4          3HG1      VAL   4 193.798  -5.322   3.626
   22   1HG2  VAL   4          1HG2      VAL   4 195.358  -3.338   6.689
   23   2HG2  VAL   4          2HG2      VAL   4 196.111  -3.085   5.114
   24   3HG2  VAL   4          3HG2      VAL   4 196.833  -4.207   6.267
   25    HA   PRO   5           HA       PRO   5 190.833  -7.952   5.323
   26   1HB   PRO   5          HB2       PRO   5 189.041  -6.505   3.897
   27   2HB   PRO   5          HB1       PRO   5 189.072  -6.514   5.664
   28   1HG   PRO   5          HG2       PRO   5 190.195  -4.494   3.761
   29   2HG   PRO   5          HG1       PRO   5 189.285  -4.233   5.261
   30   1HD   PRO   5          HD2       PRO   5 191.982  -4.022   5.136
   31   2HD   PRO   5          HD1       PRO   5 191.134  -4.580   6.592
   32    HA   PRO   6           HA       PRO   6 192.855  -8.448   1.277
   33   1HB   PRO   6          HB2       PRO   6 192.536 -11.135   1.143
   34   2HB   PRO   6          HB1       PRO   6 193.817 -10.373   2.092
   35   1HG   PRO   6          HG2       PRO   6 191.175 -11.452   2.999
   36   2HG   PRO   6          HG1       PRO   6 192.774 -11.634   3.746
   37   1HD   PRO   6          HD2       PRO   6 190.944  -9.840   4.627
   38   2HD   PRO   6          HD1       PRO   6 192.693  -9.548   4.722
   39    H    SER   7           HN       SER   7 192.036 -10.222  -0.554
   40    HA   SER   7           HA       SER   7 189.734  -9.084  -1.653
   41   1HB   SER   7          HB2       SER   7 191.461 -10.270  -2.973
   42   2HB   SER   7          HB1       SER   7 190.924 -11.798  -2.276
   43    HG   SER   7           HG       SER   7 190.023 -11.238  -4.386
   44    H    THR   8           HN       THR   8 190.138 -11.784   0.510
   45    HA   THR   8           HA       THR   8 187.700 -13.092   0.143
   46    HB   THR   8           HB       THR   8 189.296 -12.772   2.692
   47    HG1  THR   8           1HG      THR   8 189.403 -14.665   0.593
   48   1HG2  THR   8          1HG2      THR   8 187.514 -15.082   2.027
   49   2HG2  THR   8          2HG2      THR   8 186.923 -13.674   2.910
   50   3HG2  THR   8          3HG2      THR   8 188.236 -14.646   3.576
   51    H    ALA   9           HN       ALA   9 188.520 -10.231   1.999
   52    HA   ALA   9           HA       ALA   9 186.211  -9.986   3.541
   53   1HB   ALA   9          HB1       ALA   9 188.241  -8.064   2.517
   54   2HB   ALA   9          HB2       ALA   9 187.835  -8.499   4.177
   55   3HB   ALA   9          HB3       ALA   9 186.770  -7.435   3.258
   56    H    LEU  10           HN       LEU  10 186.753  -9.369   0.162
   57    HA   LEU  10           HA       LEU  10 184.525  -7.702  -0.315
   58   1HB   LEU  10          HB2       LEU  10 186.308  -7.826  -1.922
   59   2HB   LEU  10          HB1       LEU  10 186.070  -9.551  -2.128
   60    HG   LEU  10           HG       LEU  10 183.751  -8.971  -3.027
   61   1HD1  LEU  10          HD11      LEU  10 184.903  -6.283  -2.620
   62   2HD1  LEU  10          HD12      LEU  10 183.222  -6.818  -2.595
   63   3HD1  LEU  10          HD13      LEU  10 184.040  -6.551  -4.135
   64   1HD2  LEU  10          HD21      LEU  10 185.253  -9.747  -4.610
   65   2HD2  LEU  10          HD22      LEU  10 186.342  -8.376  -4.400
   66   3HD2  LEU  10          HD23      LEU  10 184.810  -8.164  -5.248
   67    H    ARG  11           HN       ARG  11 184.943 -11.217  -0.434
   68    HA   ARG  11           HA       ARG  11 182.471 -11.901  -1.508
   69   1HB   ARG  11          HB2       ARG  11 182.853 -14.088  -0.728
   70   2HB   ARG  11          HB1       ARG  11 184.456 -13.423  -0.999
   71   1HG   ARG  11          HG2       ARG  11 185.018 -13.900   1.084
   72   2HG   ARG  11          HG1       ARG  11 183.721 -12.867   1.687
   73   1HD   ARG  11          HD2       ARG  11 182.204 -14.647   1.802
   74   2HD   ARG  11          HD1       ARG  11 183.189 -15.669   0.756
   75    HE   ARG  11           HE       ARG  11 184.782 -15.271   2.903
   76   1HH1  ARG  11          HH11      ARG  11 181.486 -16.361   2.552
   77   2HH1  ARG  11          HH12      ARG  11 181.534 -17.361   3.965
   78   1HH2  ARG  11          HH21      ARG  11 184.847 -16.585   4.762
   79   2HH2  ARG  11          HH22      ARG  11 183.442 -17.488   5.220
   80    H    GLU  12           HN       GLU  12 183.266 -10.661   1.614
   81    HA   GLU  12           HA       GLU  12 180.997 -11.584   3.028
   82   1HB   GLU  12          HB2       GLU  12 183.259  -9.894   3.540
   83   2HB   GLU  12          HB1       GLU  12 181.801  -9.100   4.119
   84   1HG   GLU  12          HG2       GLU  12 181.243 -11.164   5.375
   85   2HG   GLU  12          HG1       GLU  12 182.796 -11.835   4.878
   86    H    LEU  13           HN       LEU  13 181.687  -8.334   1.660
   87    HA   LEU  13           HA       LEU  13 179.072  -7.372   2.096
   88   1HB   LEU  13          HB2       LEU  13 181.508  -6.463   0.768
   89   2HB   LEU  13          HB1       LEU  13 180.050  -5.908  -0.034
   90    HG   LEU  13           HG       LEU  13 179.892  -5.551   2.840
   91   1HD1  LEU  13          HD11      LEU  13 182.316  -5.318   2.646
   92   2HD1  LEU  13          HD12      LEU  13 181.543  -3.782   3.039
   93   3HD1  LEU  13          HD13      LEU  13 182.097  -4.095   1.394
   94   1HD2  LEU  13          HD21      LEU  13 179.533  -3.892   0.376
   95   2HD2  LEU  13          HD22      LEU  13 179.541  -3.137   1.970
   96   3HD2  LEU  13          HD23      LEU  13 178.341  -4.372   1.584
   97    H    ILE  14           HN       ILE  14 180.586  -9.063  -0.579
   98    HA   ILE  14           HA       ILE  14 178.584  -8.651  -2.501
   99    HB   ILE  14           HB       ILE  14 180.903 -10.430  -2.189
  100   1HG1  ILE  14          2HG1      ILE  14 181.229  -9.802  -4.554
  101   2HG1  ILE  14          1HG1      ILE  14 179.659  -9.005  -4.549
  102   1HG2  ILE  14          1HG2      ILE  14 179.486 -12.240  -2.588
  103   2HG2  ILE  14          2HG2      ILE  14 180.116 -11.828  -4.182
  104   3HG2  ILE  14          3HG2      ILE  14 178.487 -11.331  -3.723
  105   1HD1  ILE  14          HD11      ILE  14 182.021  -7.773  -4.086
  106   2HD1  ILE  14          HD12      ILE  14 181.486  -8.116  -2.441
  107   3HD1  ILE  14          HD13      ILE  14 180.456  -7.184  -3.527
  108    H    GLU  15           HN       GLU  15 179.192 -11.578  -0.550
  109    HA   GLU  15           HA       GLU  15 176.825 -12.890  -1.251
  110   1HB   GLU  15          HB2       GLU  15 178.368 -13.229   1.320
  111   2HB   GLU  15          HB1       GLU  15 177.295 -14.403   0.571
  112   1HG   GLU  15          HG2       GLU  15 179.626 -13.411  -0.979
  113   2HG   GLU  15          HG1       GLU  15 179.899 -14.572   0.319
  114    H    GLU  16           HN       GLU  16 177.444 -10.526   1.264
  115    HA   GLU  16           HA       GLU  16 175.128 -11.013   2.805
  116   1HB   GLU  16          HB2       GLU  16 177.231  -9.657   3.385
  117   2HB   GLU  16          HB1       GLU  16 176.460  -8.335   2.527
  118   1HG   GLU  16          HG2       GLU  16 174.907  -9.730   4.631
  119   2HG   GLU  16          HG1       GLU  16 176.209  -8.651   5.129
  120    H    LEU  17           HN       LEU  17 175.812  -8.486   0.394
  121    HA   LEU  17           HA       LEU  17 173.176  -7.459   0.374
  122   1HB   LEU  17          HB2       LEU  17 175.500  -7.206  -1.526
  123   2HB   LEU  17          HB1       LEU  17 173.969  -6.404  -1.805
  124    HG   LEU  17           HG       LEU  17 175.967  -5.146  -0.655
  125   1HD1  LEU  17          HD11      LEU  17 174.322  -3.664  -0.701
  126   2HD1  LEU  17          HD12      LEU  17 173.851  -4.234   0.900
  127   3HD1  LEU  17          HD13      LEU  17 173.097  -4.920  -0.539
  128   1HD2  LEU  17          HD21      LEU  17 174.659  -6.541   1.676
  129   2HD2  LEU  17          HD22      LEU  17 175.755  -5.166   1.803
  130   3HD2  LEU  17          HD23      LEU  17 176.336  -6.700   1.158
  131    H    VAL  18           HN       VAL  18 174.812 -10.025  -1.239
  132    HA   VAL  18           HA       VAL  18 172.973 -10.359  -3.351
  133    HB   VAL  18           HB       VAL  18 175.448 -11.429  -2.712
  134   1HG1  VAL  18          1HG1      VAL  18 175.315 -13.768  -2.612
  135   2HG1  VAL  18          2HG1      VAL  18 173.580 -13.764  -2.932
  136   3HG1  VAL  18          3HG1      VAL  18 174.193 -13.176  -1.387
  137   1HG2  VAL  18          1HG2      VAL  18 175.525 -11.875  -4.901
  138   2HG2  VAL  18          2HG2      VAL  18 173.980 -11.023  -4.933
  139   3HG2  VAL  18          3HG2      VAL  18 174.014 -12.785  -4.877
  140    H    ASN  19           HN       ASN  19 173.230 -11.532  -0.083
  141    HA   ASN  19           HA       ASN  19 171.206 -13.525  -0.272
  142   1HB   ASN  19          HB2       ASN  19 172.968 -13.512   1.481
  143   2HB   ASN  19          HB1       ASN  19 172.221 -12.082   2.187
  144   1HD2  ASN  19          HD21      ASN  19 171.006 -12.498   3.868
  145   2HD2  ASN  19          HD22      ASN  19 170.092 -13.938   4.141
  146    H    ILE  20           HN       ILE  20 171.233 -10.208   1.096
  147    HA   ILE  20           HA       ILE  20 168.552 -10.147   1.841
  148    HB   ILE  20           HB       ILE  20 168.760  -7.749   1.839
  149   1HG1  ILE  20          2HG1      ILE  20 171.262  -8.239   0.255
  150   2HG1  ILE  20          1HG1      ILE  20 169.868  -7.260  -0.207
  151   1HG2  ILE  20          1HG2      ILE  20 170.163  -9.456   3.384
  152   2HG2  ILE  20          2HG2      ILE  20 170.079  -7.716   3.655
  153   3HG2  ILE  20          3HG2      ILE  20 171.449  -8.408   2.787
  154   1HD1  ILE  20          HD11      ILE  20 172.022  -6.641   1.784
  155   2HD1  ILE  20          HD12      ILE  20 170.482  -5.781   1.778
  156   3HD1  ILE  20          HD13      ILE  20 171.528  -5.727   0.359
  157    H    THR  21           HN       THR  21 170.099  -9.200  -1.201
  158    HA   THR  21           HA       THR  21 167.683  -8.328  -2.434
  159    HB   THR  21           HB       THR  21 170.007  -7.597  -3.075
  160    HG1  THR  21           1HG      THR  21 169.064  -7.002  -4.832
  161   1HG2  THR  21          1HG2      THR  21 170.495  -9.521  -5.091
  162   2HG2  THR  21          2HG2      THR  21 170.395 -10.359  -3.543
  163   3HG2  THR  21          3HG2      THR  21 171.537  -9.032  -3.755
  164    H    GLN  22           HN       GLN  22 169.148 -11.415  -1.978
  165    HA   GLN  22           HA       GLN  22 167.750 -12.677  -4.173
  166   1HB   GLN  22          HB2       GLN  22 169.698 -13.533  -2.102
  167   2HB   GLN  22          HB1       GLN  22 168.635 -14.769  -2.756
  168   1HG   GLN  22          HG2       GLN  22 169.381 -14.153  -5.030
  169   2HG   GLN  22          HG1       GLN  22 170.522 -13.018  -4.312
  170   1HE2  GLN  22          1HE2      GLN  22 171.465 -14.438  -2.183
  171   2HE2  GLN  22          2HE2      GLN  22 172.327 -15.828  -2.738
  172    H    ASN  23           HN       ASN  23 165.865 -11.434  -2.683
  173    HA   ASN  23           HA       ASN  23 164.649 -13.542  -1.040
  174   1HB   ASN  23          HB2       ASN  23 164.562 -10.578  -0.984
  175   2HB   ASN  23          HB1       ASN  23 163.080 -11.419  -0.550
  176   1HD2  ASN  23          HD21      ASN  23 166.522 -11.282   0.122
  177   2HD2  ASN  23          HD22      ASN  23 166.405 -11.719   1.786
  178    H    GLN  24           HN       GLN  24 162.251 -13.716  -1.187
  179    HA   GLN  24           HA       GLN  24 161.411 -14.445  -3.707
  180   1HB   GLN  24          HB2       GLN  24 160.199 -14.136  -1.101
  181   2HB   GLN  24          HB1       GLN  24 159.068 -13.733  -2.387
  182   1HG   GLN  24          HG2       GLN  24 160.581 -16.306  -2.037
  183   2HG   GLN  24          HG1       GLN  24 158.851 -16.045  -1.868
  184   1HE2  GLN  24          1HE2      GLN  24 157.569 -15.885  -3.679
  185   2HE2  GLN  24          2HE2      GLN  24 158.135 -16.282  -5.262
  186    H    LYS  25           HN       LYS  25 159.454 -13.523  -4.876
  187    HA   LYS  25           HA       LYS  25 160.089 -11.045  -5.978
  188   1HB   LYS  25          HB2       LYS  25 157.365 -12.355  -5.958
  189   2HB   LYS  25          HB1       LYS  25 157.942 -11.157  -7.107
  190   1HG   LYS  25          HG2       LYS  25 158.979 -13.963  -6.772
  191   2HG   LYS  25          HG1       LYS  25 157.996 -13.350  -8.103
  192   1HD   LYS  25          HD2       LYS  25 160.738 -12.312  -7.394
  193   2HD   LYS  25          HD1       LYS  25 160.425 -13.530  -8.633
  194   1HE   LYS  25          HE2       LYS  25 158.703 -11.650  -9.438
  195   2HE   LYS  25          HE1       LYS  25 159.891 -10.617  -8.645
  196   1HZ   LYS  25          HZ1       LYS  25 160.901 -12.659 -10.469
  197   2HZ   LYS  25          HZ2       LYS  25 161.467 -11.092 -10.180
  198   3HZ   LYS  25          HZ3       LYS  25 160.111 -11.333 -11.161
  199    H    ALA  26           HN       ALA  26 157.984 -11.877  -3.304
  200    HA   ALA  26           HA       ALA  26 156.518  -9.561  -3.005
  201   1HB   ALA  26          HB1       ALA  26 157.452 -10.645  -0.464
  202   2HB   ALA  26          HB2       ALA  26 156.846 -11.878  -1.569
  203   3HB   ALA  26          HB3       ALA  26 155.817 -10.521  -1.112
  204    HA   PRO  27           HA       PRO  27 159.272  -6.470  -1.480
  205   1HB   PRO  27          HB2       PRO  27 157.883  -5.092   0.252
  206   2HB   PRO  27          HB1       PRO  27 157.259  -5.290  -1.398
  207   1HG   PRO  27          HG2       PRO  27 156.679  -6.929   1.018
  208   2HG   PRO  27          HG1       PRO  27 155.494  -6.092  -0.005
  209   1HD   PRO  27          HD2       PRO  27 156.065  -8.706  -0.331
  210   2HD   PRO  27          HD1       PRO  27 155.757  -7.659  -1.733
  211    H    LEU  28           HN       LEU  28 160.139  -5.370   0.597
  212    HA   LEU  28           HA       LEU  28 161.058  -7.520   2.347
  213   1HB   LEU  28          HB2       LEU  28 162.719  -6.046   1.283
  214   2HB   LEU  28          HB1       LEU  28 162.009  -4.666   2.097
  215    HG   LEU  28           HG       LEU  28 162.546  -6.133   4.254
  216   1HD1  LEU  28          HD11      LEU  28 164.980  -6.833   2.738
  217   2HD1  LEU  28          HD12      LEU  28 163.552  -7.821   2.433
  218   3HD1  LEU  28          HD13      LEU  28 164.188  -7.673   4.071
  219   1HD2  LEU  28          HD21      LEU  28 164.098  -4.558   4.689
  220   2HD2  LEU  28          HD22      LEU  28 163.494  -3.842   3.194
  221   3HD2  LEU  28          HD23      LEU  28 164.955  -4.830   3.172
  222    H    CYS  29           HN       CYS  29 160.481  -7.722   4.416
  223    HA   CYS  29           HA       CYS  29 159.446  -7.374   6.406
  224   1HB   CYS  29          HB2       CYS  29 160.148  -4.561   5.624
  225   2HB   CYS  29          HB1       CYS  29 159.222  -4.877   7.086
  226    H    ASN  30           HN       ASN  30 158.171  -4.453   4.852
  227    HA   ASN  30           HA       ASN  30 155.567  -5.731   4.543
  228   1HB   ASN  30          HB2       ASN  30 154.453  -3.785   5.657
  229   2HB   ASN  30          HB1       ASN  30 155.391  -4.797   6.751
  230   1HD2  ASN  30          HD21      ASN  30 154.593  -1.775   6.330
  231   2HD2  ASN  30          HD22      ASN  30 156.042  -0.959   6.801
  232    H    GLY  31           HN       GLY  31 157.426  -2.757   4.162
  233   1HA   GLY  31          HA2       GLY  31 157.572  -2.276   1.613
  234   2HA   GLY  31          HA1       GLY  31 155.834  -2.091   1.785
  235    H    SER  32           HN       SER  32 158.375  -1.065   4.030
  236    HA   SER  32           HA       SER  32 157.253   1.616   4.030
  237   1HB   SER  32          HB2       SER  32 159.506   0.435   5.666
  238   2HB   SER  32          HB1       SER  32 158.774   2.020   5.914
  239    HG   SER  32           HG       SER  32 157.968  -0.344   6.847
  240    H    MET  33           HN       MET  33 157.902   2.892   2.422
  241    HA   MET  33           HA       MET  33 160.249   2.629   0.944
  242   1HB   MET  33          HB2       MET  33 159.064   5.344   1.259
  243   2HB   MET  33          HB1       MET  33 159.621   4.524  -0.187
  244   1HG   MET  33          HG2       MET  33 157.034   4.128   1.266
  245   2HG   MET  33          HG1       MET  33 157.277   4.757  -0.360
  246   1HE   MET  33          HE1       MET  33 158.106   2.682  -2.565
  247   2HE   MET  33          HE2       MET  33 156.763   3.735  -2.122
  248   3HE   MET  33          HE3       MET  33 156.477   2.022  -2.427
  249    H    VAL  34           HN       VAL  34 162.029   4.203   0.795
  250    HA   VAL  34           HA       VAL  34 162.690   5.657   3.220
  251    HB   VAL  34           HB       VAL  34 164.910   4.552   3.438
  252   1HG1  VAL  34          1HG1      VAL  34 162.881   2.399   3.790
  253   2HG1  VAL  34          2HG1      VAL  34 162.681   3.914   4.671
  254   3HG1  VAL  34          3HG1      VAL  34 164.143   2.952   4.891
  255   1HG2  VAL  34          1HG2      VAL  34 164.418   3.488   0.998
  256   2HG2  VAL  34          2HG2      VAL  34 164.006   2.127   2.041
  257   3HG2  VAL  34          3HG2      VAL  34 165.609   2.855   2.134
  258    H    TRP  35           HN       TRP  35 164.854   6.807   2.943
  259    HA   TRP  35           HA       TRP  35 164.810   8.179   0.463
  260   1HB   TRP  35          HB2       TRP  35 166.760   8.222   2.752
  261   2HB   TRP  35          HB1       TRP  35 166.989   9.155   1.282
  262    HD1  TRP  35           HD1      TRP  35 165.894   9.735   4.577
  263    HE1  TRP  35           HE1      TRP  35 164.264  11.696   4.717
  264    HE3  TRP  35           HE3      TRP  35 164.600  10.094  -0.353
  265    HZ2  TRP  35           HZ2      TRP  35 162.621  13.214   2.993
  266    HZ3  TRP  35           HZ3      TRP  35 162.991  11.831  -1.025
  267    HH2  TRP  35           HH2      TRP  35 162.022  13.357   0.616
  268    H    SER  36           HN       SER  36 165.399   7.288  -1.319
  269    HA   SER  36           HA       SER  36 166.908   5.084  -1.849
  270   1HB   SER  36          HB2       SER  36 167.494   6.594  -4.038
  271   2HB   SER  36          HB1       SER  36 165.967   5.747  -3.798
  272    HG   SER  36           HG       SER  36 166.450   8.400  -3.912
  273    H    ILE  37           HN       ILE  37 169.073   4.924  -2.929
  274    HA   ILE  37           HA       ILE  37 171.091   5.885  -1.263
  275    HB   ILE  37           HB       ILE  37 171.305   4.687  -4.021
  276   1HG1  ILE  37          2HG1      ILE  37 169.965   3.409  -2.191
  277   2HG1  ILE  37          1HG1      ILE  37 171.210   2.547  -3.087
  278   1HG2  ILE  37          1HG2      ILE  37 173.368   5.549  -3.483
  279   2HG2  ILE  37          2HG2      ILE  37 173.474   3.852  -3.019
  280   3HG2  ILE  37          3HG2      ILE  37 173.220   5.090  -1.791
  281   1HD1  ILE  37          HD11      ILE  37 172.727   2.693  -1.262
  282   2HD1  ILE  37          HD12      ILE  37 171.182   2.118  -0.633
  283   3HD1  ILE  37          HD13      ILE  37 171.663   3.798  -0.391
  284    H    ASN  38           HN       ASN  38 173.012   7.060  -2.060
  285    HA   ASN  38           HA       ASN  38 172.397   9.082  -4.098
  286   1HB   ASN  38          HB2       ASN  38 172.712   9.533  -1.279
  287   2HB   ASN  38          HB1       ASN  38 174.039  10.310  -2.138
  288   1HD2  ASN  38          HD21      ASN  38 173.645  12.066  -3.400
  289   2HD2  ASN  38          HD22      ASN  38 172.110  12.853  -3.490
  290    H    LEU  39           HN       LEU  39 173.708   7.774  -5.473
  291    HA   LEU  39           HA       LEU  39 176.476   7.355  -4.798
  292   1HB   LEU  39          HB2       LEU  39 174.835   6.758  -7.240
  293   2HB   LEU  39          HB1       LEU  39 176.566   6.472  -7.171
  294    HG   LEU  39           HG       LEU  39 175.504   5.289  -4.857
  295   1HD1  LEU  39          HD11      LEU  39 173.764   3.882  -5.565
  296   2HD1  LEU  39          HD12      LEU  39 173.968   4.348  -7.255
  297   3HD1  LEU  39          HD13      LEU  39 173.321   5.507  -6.092
  298   1HD2  LEU  39          HD21      LEU  39 177.444   4.629  -6.283
  299   2HD2  LEU  39          HD22      LEU  39 176.289   3.916  -7.412
  300   3HD2  LEU  39          HD23      LEU  39 176.409   3.298  -5.764
  301    H    THR  40           HN       THR  40 176.454   9.750  -4.481
  302    HA   THR  40           HA       THR  40 178.147  10.925  -6.410
  303    HB   THR  40           HB       THR  40 176.297  11.387  -7.784
  304    HG1  THR  40           1HG      THR  40 177.069  13.334  -7.845
  305   1HG2  THR  40          1HG2      THR  40 174.602  10.886  -5.924
  306   2HG2  THR  40          2HG2      THR  40 174.174  12.067  -7.162
  307   3HG2  THR  40          3HG2      THR  40 174.706  12.611  -5.570
  308    H    ALA  41           HN       ALA  41 175.697  11.868  -4.004
  309    HA   ALA  41           HA       ALA  41 177.814  13.270  -2.516
  310   1HB   ALA  41          HB1       ALA  41 176.635  15.207  -2.318
  311   2HB   ALA  41          HB2       ALA  41 175.072  14.395  -2.413
  312   3HB   ALA  41          HB3       ALA  41 176.010  14.677  -3.879
  313    H    GLY  42           HN       GLY  42 177.897  11.310  -1.259
  314   1HA   GLY  42          HA2       GLY  42 177.471  10.408   0.853
  315   2HA   GLY  42          HA1       GLY  42 176.001  11.365   0.938
  316    H    MET  43           HN       MET  43 177.442   8.520  -0.538
  317    HA   MET  43           HA       MET  43 174.806   7.479  -1.225
  318   1HB   MET  43          HB2       MET  43 176.803   5.542  -1.789
  319   2HB   MET  43          HB1       MET  43 175.874   6.505  -2.923
  320   1HG   MET  43          HG2       MET  43 177.982   7.052  -3.564
  321   2HG   MET  43          HG1       MET  43 177.695   8.315  -2.372
  322   1HE   MET  43          HE1       MET  43 180.605   4.886  -2.331
  323   2HE   MET  43          HE2       MET  43 180.795   6.295  -3.374
  324   3HE   MET  43          HE3       MET  43 179.350   5.291  -3.502
  325    H    TYR  44           HN       TYR  44 177.685   6.267   0.492
  326    HA   TYR  44           HA       TYR  44 176.377   4.073   1.676
  327   1HB   TYR  44          HB2       TYR  44 178.942   5.511   2.141
  328   2HB   TYR  44          HB1       TYR  44 178.353   4.473   3.435
  329    HD1  TYR  44           HD1      TYR  44 179.111   4.452  -0.211
  330    HD2  TYR  44           HD2      TYR  44 178.782   2.177   3.368
  331    HE1  TYR  44           HE1      TYR  44 180.034   2.494  -1.377
  332    HE2  TYR  44           HE2      TYR  44 179.706   0.215   2.213
  333    HH   TYR  44           HH       TYR  44 181.315  -0.060   0.047
  334    H    CYS  45           HN       CYS  45 177.225   7.249   3.061
  335    HA   CYS  45           HA       CYS  45 175.961   6.881   5.533
  336   1HB   CYS  45          HB2       CYS  45 176.638   9.343   3.936
  337   2HB   CYS  45          HB1       CYS  45 175.814   9.456   5.487
  338    H    ALA  46           HN       ALA  46 174.700   7.559   2.393
  339    HA   ALA  46           HA       ALA  46 172.207   8.671   3.189
  340   1HB   ALA  46          HB1       ALA  46 172.439   9.150   1.004
  341   2HB   ALA  46          HB2       ALA  46 171.670   7.581   0.764
  342   3HB   ALA  46          HB3       ALA  46 173.426   7.723   0.691
  343    H    ALA  47           HN       ALA  47 173.124   5.413   2.081
  344    HA   ALA  47           HA       ALA  47 170.589   4.253   2.572
  345   1HB   ALA  47          HB1       ALA  47 172.781   3.452   1.226
  346   2HB   ALA  47          HB2       ALA  47 171.478   2.368   1.713
  347   3HB   ALA  47          HB3       ALA  47 172.941   2.484   2.691
  348    H    LEU  48           HN       LEU  48 173.298   4.955   4.619
  349    HA   LEU  48           HA       LEU  48 172.603   3.097   6.686
  350   1HB   LEU  48          HB2       LEU  48 174.892   3.760   6.470
  351   2HB   LEU  48          HB1       LEU  48 174.470   5.458   6.550
  352    HG   LEU  48           HG       LEU  48 173.731   5.118   8.904
  353   1HD1  LEU  48          HD11      LEU  48 173.324   2.674   8.680
  354   2HD1  LEU  48          HD12      LEU  48 174.303   3.112  10.080
  355   3HD1  LEU  48          HD13      LEU  48 175.071   2.432   8.645
  356   1HD2  LEU  48          HD21      LEU  48 176.253   4.462   9.602
  357   2HD2  LEU  48          HD22      LEU  48 175.778   6.054   9.010
  358   3HD2  LEU  48          HD23      LEU  48 176.490   4.878   7.905
  359    H    GLU  49           HN       GLU  49 172.207   6.544   6.078
  360    HA   GLU  49           HA       GLU  49 170.978   7.126   8.542
  361   1HB   GLU  49          HB2       GLU  49 170.410   9.273   7.583
  362   2HB   GLU  49          HB1       GLU  49 172.048   8.838   7.116
  363   1HG   GLU  49          HG2       GLU  49 171.425   8.380   4.917
  364   2HG   GLU  49          HG1       GLU  49 169.713   8.286   5.325
  365    H    SER  50           HN       SER  50 169.766   6.055   5.441
  366    HA   SER  50           HA       SER  50 167.003   6.493   6.129
  367   1HB   SER  50          HB2       SER  50 166.785   4.901   4.010
  368   2HB   SER  50          HB1       SER  50 167.227   6.600   3.840
  369    HG   SER  50           HG       SER  50 169.133   4.521   4.098
  370    H    LEU  51           HN       LEU  51 169.258   3.790   6.109
  371    HA   LEU  51           HA       LEU  51 167.316   1.786   6.671
  372   1HB   LEU  51          HB2       LEU  51 170.301   1.934   6.736
  373   2HB   LEU  51          HB1       LEU  51 169.491   0.563   7.466
  374    HG   LEU  51           HG       LEU  51 169.050   1.389   4.603
  375   1HD1  LEU  51          HD11      LEU  51 170.516  -0.690   4.191
  376   2HD1  LEU  51          HD12      LEU  51 171.117  -0.399   5.823
  377   3HD1  LEU  51          HD13      LEU  51 171.304   0.839   4.581
  378   1HD2  LEU  51          HD21      LEU  51 168.525  -1.215   6.028
  379   2HD2  LEU  51          HD22      LEU  51 168.120  -0.821   4.357
  380   3HD2  LEU  51          HD23      LEU  51 167.304   0.009   5.682
  381    H    ILE  52           HN       ILE  52 169.245   3.949   8.613
  382    HA   ILE  52           HA       ILE  52 169.023   2.630  11.087
  383    HB   ILE  52           HB       ILE  52 170.570   4.550  10.523
  384   1HG1  ILE  52          2HG1      ILE  52 169.579   5.578  12.988
  385   2HG1  ILE  52          1HG1      ILE  52 169.307   3.838  12.982
  386   1HG2  ILE  52          1HG2      ILE  52 168.824   6.614  11.509
  387   2HG2  ILE  52          2HG2      ILE  52 168.173   5.895  10.037
  388   3HG2  ILE  52          3HG2      ILE  52 169.800   6.573  10.041
  389   1HD1  ILE  52          HD11      ILE  52 171.583   3.370  12.774
  390   2HD1  ILE  52          HD12      ILE  52 171.504   4.696  13.934
  391   3HD1  ILE  52          HD13      ILE  52 171.966   5.013  12.262
  392    H    ASN  53           HN       ASN  53 166.749   4.482   9.267
  393    HA   ASN  53           HA       ASN  53 165.035   5.039  11.530
  394   1HB   ASN  53          HB2       ASN  53 165.070   5.724   8.648
  395   2HB   ASN  53          HB1       ASN  53 163.481   5.616   9.400
  396   1HD2  ASN  53          HD21      ASN  53 166.519   6.660  10.850
  397   2HD2  ASN  53          HD22      ASN  53 166.011   8.276  11.188
  398    H    VAL  54           HN       VAL  54 165.448   2.512   9.225
  399    HA   VAL  54           HA       VAL  54 162.855   1.481   9.067
  400    HB   VAL  54           HB       VAL  54 165.428  -0.107   9.063
  401   1HG1  VAL  54          1HG1      VAL  54 163.129  -1.276   9.287
  402   2HG1  VAL  54          2HG1      VAL  54 164.268  -1.859   8.073
  403   3HG1  VAL  54          3HG1      VAL  54 162.919  -0.828   7.595
  404   1HG2  VAL  54          1HG2      VAL  54 165.379   0.141   6.633
  405   2HG2  VAL  54          2HG2      VAL  54 165.492   1.711   7.428
  406   3HG2  VAL  54          3HG2      VAL  54 163.952   1.170   6.760
  407    H    SER  55           HN       SER  55 161.601   1.031  10.754
  408    HA   SER  55           HA       SER  55 162.799  -0.305  13.088
  409   1HB   SER  55          HB2       SER  55 160.405   0.504  14.028
  410   2HB   SER  55          HB1       SER  55 161.851   1.512  14.089
  411    HG   SER  55           HG       SER  55 161.159   2.597  12.282
  412    H    GLY  56           HN       GLY  56 162.125  -2.292  13.652
  413   1HA   GLY  56          HA2       GLY  56 160.734  -4.150  13.792
  414   2HA   GLY  56          HA1       GLY  56 159.548  -3.302  12.811
  415    H    CYS  57           HN       CYS  57 162.929  -3.836  11.965
  416    HA   CYS  57           HA       CYS  57 162.079  -5.717   9.877
  417   1HB   CYS  57          HB2       CYS  57 163.552  -3.155   9.665
  418   2HB   CYS  57          HB1       CYS  57 164.188  -4.489   8.722
  419    H    SER  58           HN       SER  58 165.158  -4.290  10.893
  420    HA   SER  58           HA       SER  58 167.091  -5.178  11.666
  421   1HB   SER  58          HB2       SER  58 165.120  -6.320  13.170
  422   2HB   SER  58          HB1       SER  58 165.954  -7.746  12.544
  423    HG   SER  58           HG       SER  58 167.383  -7.359  14.025
  424    H    ALA  59           HN       ALA  59 165.711  -6.133   9.000
  425    HA   ALA  59           HA       ALA  59 167.257  -8.559   8.522
  426   1HB   ALA  59          HB1       ALA  59 165.644  -7.215   6.402
  427   2HB   ALA  59          HB2       ALA  59 164.818  -8.055   7.715
  428   3HB   ALA  59          HB3       ALA  59 165.939  -8.932   6.673
  429    H    ILE  60           HN       ILE  60 167.898  -5.365   8.535
  430    HA   ILE  60           HA       ILE  60 169.739  -5.485   6.253
  431    HB   ILE  60           HB       ILE  60 169.723  -2.896   6.762
  432   1HG1  ILE  60          2HG1      ILE  60 167.379  -2.182   7.341
  433   2HG1  ILE  60          1HG1      ILE  60 167.060  -3.844   7.816
  434   1HG2  ILE  60          1HG2      ILE  60 167.998  -4.600   5.086
  435   2HG2  ILE  60          2HG2      ILE  60 169.128  -3.327   4.625
  436   3HG2  ILE  60          3HG2      ILE  60 167.527  -2.907   5.234
  437   1HD1  ILE  60          HD11      ILE  60 168.003  -3.540   9.796
  438   2HD1  ILE  60          HD12      ILE  60 168.029  -1.817   9.420
  439   3HD1  ILE  60          HD13      ILE  60 169.443  -2.816   9.081
  440    H    GLU  61           HN       GLU  61 169.557  -5.535   9.614
  441    HA   GLU  61           HA       GLU  61 171.413  -4.048  10.775
  442   1HB   GLU  61          HB2       GLU  61 170.535  -6.802  11.142
  443   2HB   GLU  61          HB1       GLU  61 172.158  -6.520  11.752
  444   1HG   GLU  61          HG2       GLU  61 170.746  -4.350  12.686
  445   2HG   GLU  61          HG1       GLU  61 169.594  -5.679  12.812
  446    H    LYS  62           HN       LYS  62 172.209  -6.772   8.690
  447    HA   LYS  62           HA       LYS  62 175.004  -6.677   9.057
  448   1HB   LYS  62          HB2       LYS  62 173.163  -7.882   7.048
  449   2HB   LYS  62          HB1       LYS  62 174.862  -7.741   6.619
  450   1HG   LYS  62          HG2       LYS  62 174.061  -8.974   9.220
  451   2HG   LYS  62          HG1       LYS  62 174.006  -9.911   7.726
  452   1HD   LYS  62          HD2       LYS  62 176.257 -10.016   7.555
  453   2HD   LYS  62          HD1       LYS  62 176.485  -8.384   8.187
  454   1HE   LYS  62          HE2       LYS  62 177.366 -10.239   9.639
  455   2HE   LYS  62          HE1       LYS  62 176.251  -9.124  10.427
  456   1HZ   LYS  62          HZ1       LYS  62 175.162 -11.557   9.208
  457   2HZ   LYS  62          HZ2       LYS  62 174.625 -10.698  10.563
  458   3HZ   LYS  62          HZ3       LYS  62 175.984 -11.698  10.681
  459    H    THR  63           HN       THR  63 172.995  -5.451   6.382
  460    HA   THR  63           HA       THR  63 175.109  -4.060   5.111
  461    HB   THR  63           HB       THR  63 172.439  -4.680   4.539
  462    HG1  THR  63           1HG      THR  63 174.334  -4.575   3.146
  463   1HG2  THR  63          1HG2      THR  63 172.769  -1.723   4.156
  464   2HG2  THR  63          2HG2      THR  63 171.854  -2.418   5.495
  465   3HG2  THR  63          3HG2      THR  63 171.353  -2.723   3.832
  466    H    GLN  64           HN       GLN  64 172.943  -3.260   7.706
  467    HA   GLN  64           HA       GLN  64 173.162  -0.454   7.627
  468   1HB   GLN  64          HB2       GLN  64 172.290  -2.482   9.586
  469   2HB   GLN  64          HB1       GLN  64 172.846  -0.966  10.282
  470   1HG   GLN  64          HG2       GLN  64 171.255   0.207   8.736
  471   2HG   GLN  64          HG1       GLN  64 170.602  -1.380   8.328
  472   1HE2  GLN  64          1HE2      GLN  64 169.814   1.178   9.971
  473   2HE2  GLN  64          2HE2      GLN  64 169.039   0.494  11.355
  474    H    ARG  65           HN       ARG  65 174.762  -2.654   9.938
  475    HA   ARG  65           HA       ARG  65 176.594  -0.841  10.897
  476   1HB   ARG  65          HB2       ARG  65 177.536  -2.599  12.049
  477   2HB   ARG  65          HB1       ARG  65 175.957  -3.262  11.664
  478   1HG   ARG  65          HG2       ARG  65 176.909  -4.484   9.785
  479   2HG   ARG  65          HG1       ARG  65 178.498  -3.806  10.144
  480   1HD   ARG  65          HD2       ARG  65 177.061  -5.213  12.329
  481   2HD   ARG  65          HD1       ARG  65 177.743  -6.192  11.031
  482    HE   ARG  65           HE       ARG  65 179.170  -4.972  13.135
  483   1HH1  ARG  65          HH11      ARG  65 179.397  -5.603   9.710
  484   2HH1  ARG  65          HH12      ARG  65 181.128  -5.620   9.701
  485   1HH2  ARG  65          HH21      ARG  65 181.448  -4.993  13.125
  486   2HH2  ARG  65          HH22      ARG  65 182.293  -5.274  11.639
  487    H    MET  66           HN       MET  66 176.924  -3.186   8.282
  488    HA   MET  66           HA       MET  66 179.576  -2.771   7.593
  489   1HB   MET  66          HB2       MET  66 177.151  -3.726   6.169
  490   2HB   MET  66          HB1       MET  66 178.531  -3.283   5.176
  491   1HG   MET  66          HG2       MET  66 179.114  -5.015   7.481
  492   2HG   MET  66          HG1       MET  66 178.133  -5.730   6.204
  493   1HE   MET  66          HE1       MET  66 180.315  -7.627   5.398
  494   2HE   MET  66          HE2       MET  66 180.495  -7.016   7.042
  495   3HE   MET  66          HE3       MET  66 181.873  -7.005   5.941
  496    H    LEU  67           HN       LEU  67 176.714  -0.953   6.693
  497    HA   LEU  67           HA       LEU  67 177.982   0.726   4.789
  498   1HB   LEU  67          HB2       LEU  67 175.391   0.785   6.280
  499   2HB   LEU  67          HB1       LEU  67 175.903   2.202   5.387
  500    HG   LEU  67           HG       LEU  67 175.635  -0.524   4.131
  501   1HD1  LEU  67          HD11      LEU  67 173.452   0.012   4.857
  502   2HD1  LEU  67          HD12      LEU  67 173.525   0.452   3.151
  503   3HD1  LEU  67          HD13      LEU  67 173.633   1.703   4.390
  504   1HD2  LEU  67          HD21      LEU  67 175.472   0.914   2.061
  505   2HD2  LEU  67          HD22      LEU  67 177.054   0.851   2.837
  506   3HD2  LEU  67          HD23      LEU  67 176.017   2.260   3.062
  507    H    SER  68           HN       SER  68 177.208   1.086   8.229
  508    HA   SER  68           HA       SER  68 177.981   3.736   8.561
  509   1HB   SER  68          HB2       SER  68 177.979   3.327  10.880
  510   2HB   SER  68          HB1       SER  68 176.835   2.149  10.238
  511    HG   SER  68           HG       SER  68 178.673   1.509  11.785
  512    H    GLY  69           HN       GLY  69 179.903   0.791   8.804
  513   1HA   GLY  69          HA2       GLY  69 182.293   1.838   9.654
  514   2HA   GLY  69          HA1       GLY  69 182.150   0.427   8.626
  515    H    PHE  70           HN       PHE  70 180.786   2.165   6.561
  516    HA   PHE  70           HA       PHE  70 183.253   3.322   5.452
  517   1HB   PHE  70          HB2       PHE  70 180.809   2.190   4.085
  518   2HB   PHE  70          HB1       PHE  70 182.107   3.024   3.235
  519    HD1  PHE  70           HD1      PHE  70 183.671   1.693   2.224
  520    HD2  PHE  70           HD2      PHE  70 181.737   0.280   5.741
  521    HE1  PHE  70           HE1      PHE  70 184.913  -0.425   2.052
  522    HE2  PHE  70           HE2      PHE  70 182.975  -1.839   5.577
  523    HZ   PHE  70           HZ       PHE  70 184.566  -2.194   3.731
  524    H    CYS  71           HN       CYS  71 179.959   3.980   6.328
  525    HA   CYS  71           HA       CYS  71 179.294   6.200   4.877
  526   1HB   CYS  71          HB2       CYS  71 177.668   5.400   6.366
  527   2HB   CYS  71          HB1       CYS  71 178.765   5.446   7.738
  528    HA   PRO  72           HA       PRO  72 182.760   8.847   6.103
  529   1HB   PRO  72          HB2       PRO  72 182.422  10.683   4.153
  530   2HB   PRO  72          HB1       PRO  72 183.182   9.116   3.851
  531   1HG   PRO  72          HG2       PRO  72 180.364   9.986   3.321
  532   2HG   PRO  72          HG1       PRO  72 181.461   9.058   2.281
  533   1HD   PRO  72          HD2       PRO  72 179.515   7.892   3.771
  534   2HD   PRO  72          HD1       PRO  72 181.053   7.086   3.397
  535    H    HIS  73           HN       HIS  73 180.697   9.033   7.803
  536    HA   HIS  73           HA       HIS  73 180.668  11.611   8.720
  537   1HB   HIS  73          HB2       HIS  73 178.936  11.355   6.453
  538   2HB   HIS  73          HB1       HIS  73 177.949  11.651   7.879
  539    HD1  HIS  73           HD1      HIS  73 180.228  13.497   9.235
  540    HD2  HIS  73           HD2      HIS  73 178.537  13.934   5.464
  541    HE1  HIS  73           HE1      HIS  73 180.549  15.917   8.631
  542    HE2  HIS  73           HE2      HIS  73 179.593  16.138   6.310
  543    H    LYS  74           HN       LYS  74 178.146  11.919   9.820
  544    HA   LYS  74           HA       LYS  74 177.770   9.410  11.320
  545   1HB   LYS  74          HB2       LYS  74 178.323  12.137  12.265
  546   2HB   LYS  74          HB1       LYS  74 176.973  11.357  13.078
  547   1HG   LYS  74          HG2       LYS  74 179.749  10.218  12.830
  548   2HG   LYS  74          HG1       LYS  74 179.090  11.020  14.256
  549   1HD   LYS  74          HD2       LYS  74 177.878   9.220  14.863
  550   2HD   LYS  74          HD1       LYS  74 177.449   8.823  13.198
  551   1HE   LYS  74          HE2       LYS  74 179.836   8.019  12.923
  552   2HE   LYS  74          HE1       LYS  74 179.985   8.157  14.674
  553   1HZ   LYS  74          HZ1       LYS  74 179.376   5.969  14.385
  554   2HZ   LYS  74          HZ2       LYS  74 178.330   6.301  13.098
  555   3HZ   LYS  74          HZ3       LYS  74 177.877   6.696  14.679
  556    H    VAL  75           HN       VAL  75 175.746   8.649  11.393
  557    HA   VAL  75           HA       VAL  75 173.465  10.395  11.233
  558    HB   VAL  75           HB       VAL  75 172.978   8.376   9.254
  559   1HG1  VAL  75          1HG1      VAL  75 172.724  11.281   9.603
  560   2HG1  VAL  75          2HG1      VAL  75 171.575  10.107   8.962
  561   3HG1  VAL  75          3HG1      VAL  75 172.861  10.735   7.931
  562   1HG2  VAL  75          1HG2      VAL  75 175.414   8.462   8.881
  563   2HG2  VAL  75          2HG2      VAL  75 175.288  10.197   8.587
  564   3HG2  VAL  75          3HG2      VAL  75 174.495   9.058   7.498
  565    H    SER  76           HN       SER  76 172.851   9.537  13.199
  566    HA   SER  76           HA       SER  76 172.128   6.729  13.274
  567   1HB   SER  76          HB2       SER  76 173.919   7.455  14.860
  568   2HB   SER  76          HB1       SER  76 172.749   8.565  15.572
  569    HG   SER  76           HG       SER  76 173.073   5.940  16.023
  570    H    ALA  77           HN       ALA  77 170.968   7.669  15.740
  571    HA   ALA  77           HA       ALA  77 168.326   8.424  14.706
  572   1HB   ALA  77          HB1       ALA  77 169.203   6.638  16.886
  573   2HB   ALA  77          HB2       ALA  77 167.822   6.510  15.797
  574   3HB   ALA  77          HB3       ALA  77 167.748   7.588  17.191
  575    H    GLY  78           HN       GLY  78 168.673  10.667  14.681
  576   1HA   GLY  78          HA2       GLY  78 168.219  11.941  17.235
  577   2HA   GLY  78          HA1       GLY  78 169.767  12.335  16.504
  578    H    GLN  79           HN       GLN  79 166.920  11.709  14.583
  579    HA   GLN  79           HA       GLN  79 167.089  14.396  13.492
  580   1HB   GLN  79          HB2       GLN  79 166.749  12.151  12.191
  581   2HB   GLN  79          HB1       GLN  79 165.060  12.364  12.632
  582   1HG   GLN  79          HG2       GLN  79 164.773  14.134  11.246
  583   2HG   GLN  79          HG1       GLN  79 166.441  14.680  11.414
  584   1HE2  GLN  79          1HE2      GLN  79 164.280  13.403   9.319
  585   2HE2  GLN  79          2HE2      GLN  79 165.358  12.644   8.203
  586    H    PHE  80           HN       PHE  80 165.303  15.825  13.344
  587    HA   PHE  80           HA       PHE  80 163.026  15.267  15.096
  588   1HB   PHE  80          HB2       PHE  80 163.224  17.448  16.194
  589   2HB   PHE  80          HB1       PHE  80 164.660  16.471  16.482
  590    HD1  PHE  80           HD1      PHE  80 163.558  19.657  15.716
  591    HD2  PHE  80           HD2      PHE  80 166.546  16.839  14.603
  592    HE1  PHE  80           HE1      PHE  80 164.966  21.490  14.870
  593    HE2  PHE  80           HE2      PHE  80 167.959  18.666  13.755
  594    HZ   PHE  80           HZ       PHE  80 167.170  20.995  13.889
  595    H    SER  81           HN       SER  81 161.628  17.518  14.990
  596    HA   SER  81           HA       SER  81 160.839  17.653  12.216
  597   1HB   SER  81          HB2       SER  81 159.391  17.695  14.478
  598   2HB   SER  81          HB1       SER  81 159.560  19.431  14.223
  599    HG   SER  81           HG       SER  81 157.702  18.364  13.195
  600    H    SER  82           HN       SER  82 162.274  18.823  11.034
  601    HA   SER  82           HA       SER  82 162.146  21.633  11.131
  602   1HB   SER  82          HB2       SER  82 164.526  20.343  12.411
  603   2HB   SER  82          HB1       SER  82 164.723  21.867  11.548
  604    HG   SER  82           HG       SER  82 163.115  21.320  13.808
  605    H    LEU  83           HN       LEU  83 164.997  19.694  10.399
  606    HA   LEU  83           HA       LEU  83 164.668  20.410   7.566
  607   1HB   LEU  83          HB2       LEU  83 167.117  19.669   9.163
  608   2HB   LEU  83          HB1       LEU  83 167.119  19.833   7.417
  609    HG   LEU  83           HG       LEU  83 167.989  21.854   8.346
  610   1HD1  LEU  83          HD11      LEU  83 166.608  23.453   7.321
  611   2HD1  LEU  83          HD12      LEU  83 165.148  22.514   7.633
  612   3HD1  LEU  83          HD13      LEU  83 166.317  21.955   6.437
  613   1HD2  LEU  83          HD21      LEU  83 165.529  22.584   9.804
  614   2HD2  LEU  83          HD22      LEU  83 167.218  22.925  10.180
  615   3HD2  LEU  83          HD23      LEU  83 166.537  21.339  10.542
  616    H    HIS  84           HN       HIS  84 164.911  18.855   5.952
  617    HA   HIS  84           HA       HIS  84 164.651  16.815   4.980
  618   1HB   HIS  84          HB2       HIS  84 165.991  15.664   7.428
  619   2HB   HIS  84          HB1       HIS  84 165.973  15.001   5.797
  620    HD1  HIS  84           HD1      HIS  84 166.595  18.252   4.946
  621    HD2  HIS  84           HD2      HIS  84 168.882  15.463   7.010
  622    HE1  HIS  84           HE1      HIS  84 168.974  19.037   4.725
  623    HE2  HIS  84           HE2      HIS  84 170.330  17.382   6.056
  624    H    VAL  85           HN       VAL  85 162.422  16.699   5.075
  625    HA   VAL  85           HA       VAL  85 161.270  15.292   7.381
  626    HB   VAL  85           HB       VAL  85 159.087  16.086   5.971
  627   1HG1  VAL  85          1HG1      VAL  85 160.599  17.547   8.123
  628   2HG1  VAL  85          2HG1      VAL  85 159.287  16.385   8.321
  629   3HG1  VAL  85          3HG1      VAL  85 158.964  17.970   7.617
  630   1HG2  VAL  85          1HG2      VAL  85 160.671  17.333   4.415
  631   2HG2  VAL  85          2HG2      VAL  85 160.951  18.435   5.763
  632   3HG2  VAL  85          3HG2      VAL  85 159.330  18.256   5.093
  633    H    ARG  86           HN       ARG  86 159.993  15.525   4.105
  634    HA   ARG  86           HA       ARG  86 160.680  12.930   3.266
  635   1HB   ARG  86          HB2       ARG  86 158.972  12.592   5.226
  636   2HB   ARG  86          HB1       ARG  86 157.782  13.028   4.008
  637   1HG   ARG  86          HG2       ARG  86 159.211  11.165   2.667
  638   2HG   ARG  86          HG1       ARG  86 159.355  10.571   4.322
  639   1HD   ARG  86          HD2       ARG  86 156.841  11.096   2.754
  640   2HD   ARG  86          HD1       ARG  86 157.424   9.555   3.380
  641    HE   ARG  86           HE       ARG  86 155.949  11.559   4.809
  642   1HH1  ARG  86          HH11      ARG  86 158.207   8.917   5.128
  643   2HH1  ARG  86          HH12      ARG  86 157.776   8.582   6.771
  644   1HH2  ARG  86          HH21      ARG  86 155.381  11.121   6.971
  645   2HH2  ARG  86          HH22      ARG  86 156.171   9.832   7.818
  646    H    ASP  87           HN       ASP  87 160.234  12.655   1.143
  647    HA   ASP  87           HA       ASP  87 158.208  14.322  -0.129
  648   1HB   ASP  87          HB2       ASP  87 161.137  14.347  -0.848
  649   2HB   ASP  87          HB1       ASP  87 159.881  14.901  -1.950
  650    H    THR  88           HN       THR  88 160.863  12.531  -1.598
  651    HA   THR  88           HA       THR  88 158.911  10.557  -2.571
  652    HB   THR  88           HB       THR  88 160.853  10.516  -4.477
  653    HG1  THR  88           1HG      THR  88 160.501  13.230  -3.743
  654   1HG2  THR  88          1HG2      THR  88 159.219  11.069  -5.886
  655   2HG2  THR  88          2HG2      THR  88 158.859  12.570  -5.033
  656   3HG2  THR  88          3HG2      THR  88 158.189  11.044  -4.454
  657    H    LYS  89           HN       LYS  89 159.349   8.555  -1.974
  658    HA   LYS  89           HA       LYS  89 162.133   7.812  -1.393
  659   1HB   LYS  89          HB2       LYS  89 159.660   7.509   0.204
  660   2HB   LYS  89          HB1       LYS  89 160.739   6.128   0.181
  661   1HG   LYS  89          HG2       LYS  89 161.722   7.150   1.910
  662   2HG   LYS  89          HG1       LYS  89 162.489   8.140   0.665
  663   1HD   LYS  89          HD2       LYS  89 160.842   9.856   0.919
  664   2HD   LYS  89          HD1       LYS  89 159.866   8.836   1.977
  665   1HE   LYS  89          HE2       LYS  89 162.671   9.391   2.781
  666   2HE   LYS  89          HE1       LYS  89 161.499  10.699   2.928
  667   1HZ   LYS  89          HZ1       LYS  89 160.129   8.748   4.055
  668   2HZ   LYS  89          HZ2       LYS  89 161.192   9.730   4.931
  669   3HZ   LYS  89          HZ3       LYS  89 161.689   8.199   4.412
  670    H    ILE  90           HN       ILE  90 162.343   5.324  -1.337
  671    HA   ILE  90           HA       ILE  90 160.738   4.181  -3.530
  672    HB   ILE  90           HB       ILE  90 162.658   2.931  -4.302
  673   1HG1  ILE  90          2HG1      ILE  90 164.217   4.352  -2.130
  674   2HG1  ILE  90          1HG1      ILE  90 163.798   2.642  -2.136
  675   1HG2  ILE  90          1HG2      ILE  90 162.247   5.565  -4.705
  676   2HG2  ILE  90          2HG2      ILE  90 163.490   4.624  -5.529
  677   3HG2  ILE  90          3HG2      ILE  90 163.908   5.588  -4.112
  678   1HD1  ILE  90          HD11      ILE  90 165.219   3.554  -4.527
  679   2HD1  ILE  90          HD12      ILE  90 165.462   2.118  -3.533
  680   3HD1  ILE  90          HD13      ILE  90 166.138   3.666  -3.027
  681    H    GLU  91           HN       GLU  91 160.397   1.898  -3.474
  682    HA   GLU  91           HA       GLU  91 159.543   0.894  -1.052
  683   1HB   GLU  91          HB2       GLU  91 160.096  -0.265  -3.722
  684   2HB   GLU  91          HB1       GLU  91 159.955  -1.402  -2.388
  685   1HG   GLU  91          HG2       GLU  91 157.891   0.630  -3.206
  686   2HG   GLU  91          HG1       GLU  91 157.831  -1.103  -3.524
  687    H    VAL  92           HN       VAL  92 160.342  -0.449   0.497
  688    HA   VAL  92           HA       VAL  92 163.045  -0.311   1.155
  689    HB   VAL  92           HB       VAL  92 162.070  -2.691   2.353
  690   1HG1  VAL  92          1HG1      VAL  92 162.308   0.127   3.389
  691   2HG1  VAL  92          2HG1      VAL  92 163.548  -1.126   3.429
  692   3HG1  VAL  92          3HG1      VAL  92 162.082  -1.305   4.394
  693   1HG2  VAL  92          1HG2      VAL  92 159.976  -1.951   3.363
  694   2HG2  VAL  92          2HG2      VAL  92 159.827  -2.071   1.610
  695   3HG2  VAL  92          3HG2      VAL  92 160.006  -0.492   2.374
  696    H    ALA  93           HN       ALA  93 161.260  -2.879  -0.515
  697    HA   ALA  93           HA       ALA  93 163.329  -4.773  -0.618
  698   1HB   ALA  93          HB1       ALA  93 161.519  -4.607  -2.951
  699   2HB   ALA  93          HB2       ALA  93 160.756  -4.804  -1.373
  700   3HB   ALA  93          HB3       ALA  93 161.939  -5.986  -1.935
  701    H    GLN  94           HN       GLN  94 162.268  -2.524  -3.176
  702    HA   GLN  94           HA       GLN  94 164.419  -2.968  -4.908
  703   1HB   GLN  94          HB2       GLN  94 162.133  -1.346  -4.871
  704   2HB   GLN  94          HB1       GLN  94 163.480  -0.225  -5.017
  705   1HG   GLN  94          HG2       GLN  94 163.247  -2.627  -6.788
  706   2HG   GLN  94          HG1       GLN  94 162.409  -1.120  -7.156
  707   1HE2  GLN  94          1HE2      GLN  94 165.604  -2.445  -6.433
  708   2HE2  GLN  94          2HE2      GLN  94 166.486  -1.324  -7.409
  709    H    PHE  95           HN       PHE  95 164.089  -1.003  -2.060
  710    HA   PHE  95           HA       PHE  95 166.305   0.691  -2.422
  711   1HB   PHE  95          HB2       PHE  95 164.494   0.995  -0.708
  712   2HB   PHE  95          HB1       PHE  95 165.220  -0.323   0.208
  713    HD1  PHE  95           HD1      PHE  95 167.037   0.061   1.638
  714    HD2  PHE  95           HD2      PHE  95 165.862   3.047  -1.150
  715    HE1  PHE  95           HE1      PHE  95 168.574   1.659   2.706
  716    HE2  PHE  95           HE2      PHE  95 167.390   4.645  -0.095
  717    HZ   PHE  95           HZ       PHE  95 168.753   3.958   1.838
  718    H    VAL  96           HN       VAL  96 165.949  -2.397  -0.760
  719    HA   VAL  96           HA       VAL  96 168.593  -2.659   0.132
  720    HB   VAL  96           HB       VAL  96 166.695  -4.882  -0.644
  721   1HG1  VAL  96          1HG1      VAL  96 169.344  -5.089   0.003
  722   2HG1  VAL  96          2HG1      VAL  96 168.140  -6.361   0.214
  723   3HG1  VAL  96          3HG1      VAL  96 168.558  -5.309   1.567
  724   1HG2  VAL  96          1HG2      VAL  96 167.014  -4.176   2.190
  725   2HG2  VAL  96          2HG2      VAL  96 165.565  -4.608   1.282
  726   3HG2  VAL  96          3HG2      VAL  96 166.192  -2.962   1.209
  727    H    LYS  97           HN       LYS  97 167.014  -4.006  -2.761
  728    HA   LYS  97           HA       LYS  97 169.227  -5.222  -3.911
  729   1HB   LYS  97          HB2       LYS  97 166.874  -3.877  -5.247
  730   2HB   LYS  97          HB1       LYS  97 168.034  -4.896  -6.088
  731   1HG   LYS  97          HG2       LYS  97 167.054  -6.769  -5.391
  732   2HG   LYS  97          HG1       LYS  97 166.913  -6.181  -3.733
  733   1HD   LYS  97          HD2       LYS  97 164.950  -4.833  -4.434
  734   2HD   LYS  97          HD1       LYS  97 165.063  -5.565  -6.036
  735   1HE   LYS  97          HE2       LYS  97 163.395  -6.738  -4.766
  736   2HE   LYS  97          HE1       LYS  97 164.792  -7.793  -4.980
  737   1HZ   LYS  97          HZ1       LYS  97 165.337  -7.673  -2.782
  738   2HZ   LYS  97          HZ2       LYS  97 163.657  -7.517  -2.657
  739   3HZ   LYS  97          HZ3       LYS  97 164.642  -6.146  -2.559
  740    H    ASP  98           HN       ASP  98 168.178  -1.839  -4.107
  741    HA   ASP  98           HA       ASP  98 170.110  -1.063  -5.991
  742   1HB   ASP  98          HB2       ASP  98 168.251   0.355  -4.192
  743   2HB   ASP  98          HB1       ASP  98 169.641   1.271  -4.768
  744    H    LEU  99           HN       LEU  99 170.039  -1.178  -2.609
  745    HA   LEU  99           HA       LEU  99 172.456   0.123  -2.036
  746   1HB   LEU  99          HB2       LEU  99 171.222  -0.139  -0.174
  747   2HB   LEU  99          HB1       LEU  99 170.432  -1.559  -0.846
  748    HG   LEU  99           HG       LEU  99 173.128  -2.235  -0.074
  749   1HD1  LEU  99          HD11      LEU  99 171.556  -1.370   2.302
  750   2HD1  LEU  99          HD12      LEU  99 172.557  -0.195   1.450
  751   3HD1  LEU  99          HD13      LEU  99 173.290  -1.645   2.135
  752   1HD2  LEU  99          HD21      LEU  99 170.392  -3.054   0.875
  753   2HD2  LEU  99          HD22      LEU  99 171.888  -3.821   1.409
  754   3HD2  LEU  99          HD23      LEU  99 171.421  -3.885  -0.290
  755    H    LEU 100           HN       LEU 100 171.612  -3.106  -3.079
  756    HA   LEU 100           HA       LEU 100 174.103  -4.364  -2.539
  757   1HB   LEU 100          HB2       LEU 100 172.421  -5.912  -2.796
  758   2HB   LEU 100          HB1       LEU 100 171.648  -5.019  -4.085
  759    HG   LEU 100           HG       LEU 100 173.648  -5.749  -5.540
  760   1HD1  LEU 100          HD11      LEU 100 174.865  -7.661  -4.884
  761   2HD1  LEU 100          HD12      LEU 100 173.853  -7.909  -3.462
  762   3HD1  LEU 100          HD13      LEU 100 174.956  -6.535  -3.530
  763   1HD2  LEU 100          HD21      LEU 100 171.932  -6.901  -6.358
  764   2HD2  LEU 100          HD22      LEU 100 171.215  -7.111  -4.761
  765   3HD2  LEU 100          HD23      LEU 100 172.449  -8.236  -5.329
  766    H    LEU 101           HN       LEU 101 172.649  -3.068  -5.529
  767    HA   LEU 101           HA       LEU 101 174.758  -3.591  -7.251
  768   1HB   LEU 101          HB2       LEU 101 173.847  -1.993  -8.716
  769   2HB   LEU 101          HB1       LEU 101 172.504  -2.696  -7.857
  770    HG   LEU 101           HG       LEU 101 172.791  -0.566  -6.342
  771   1HD1  LEU 101          HD11      LEU 101 174.794  -0.010  -8.044
  772   2HD1  LEU 101          HD12      LEU 101 173.859   1.222  -7.195
  773   3HD1  LEU 101          HD13      LEU 101 173.454   0.798  -8.858
  774   1HD2  LEU 101          HD21      LEU 101 170.985   0.384  -7.461
  775   2HD2  LEU 101          HD22      LEU 101 170.875  -1.332  -7.855
  776   3HD2  LEU 101          HD23      LEU 101 171.539  -0.197  -9.031
  777    H    HIS 102           HN       HIS 102 174.142  -0.654  -5.440
  778    HA   HIS 102           HA       HIS 102 176.484   0.714  -6.173
  779   1HB   HIS 102          HB2       HIS 102 174.921   2.125  -5.228
  780   2HB   HIS 102          HB1       HIS 102 174.496   0.982  -3.960
  781    HD2  HIS 102           HD2      HIS 102 174.976   2.500  -1.772
  782    HE1  HIS 102           HE1      HIS 102 178.973   3.495  -2.735
  783    HE2  HIS 102           HE2      HIS 102 177.121   3.749  -1.021
  784    H    LEU 103           HN       LEU 103 175.864  -0.771  -2.972
  785    HA   LEU 103           HA       LEU 103 178.351  -0.527  -1.899
  786   1HB   LEU 103          HB2       LEU 103 176.144  -2.463  -1.537
  787   2HB   LEU 103          HB1       LEU 103 177.697  -2.911  -0.867
  788    HG   LEU 103           HG       LEU 103 176.884  -0.175  -0.206
  789   1HD1  LEU 103          HD11      LEU 103 175.216  -2.519   0.659
  790   2HD1  LEU 103          HD12      LEU 103 174.682  -1.015  -0.090
  791   3HD1  LEU 103          HD13      LEU 103 175.292  -1.008   1.564
  792   1HD2  LEU 103          HD21      LEU 103 178.799  -1.648   0.707
  793   2HD2  LEU 103          HD22      LEU 103 177.541  -2.384   1.701
  794   3HD2  LEU 103          HD23      LEU 103 177.872  -0.657   1.833
  795    H    LYS 104           HN       LYS 104 177.250  -3.359  -3.790
  796    HA   LYS 104           HA       LYS 104 179.735  -4.672  -3.733
  797   1HB   LYS 104          HB2       LYS 104 178.873  -6.125  -5.409
  798   2HB   LYS 104          HB1       LYS 104 177.523  -5.698  -4.368
  799   1HG   LYS 104          HG2       LYS 104 177.074  -3.859  -6.135
  800   2HG   LYS 104          HG1       LYS 104 178.082  -4.863  -7.177
  801   1HD   LYS 104          HD2       LYS 104 175.637  -5.818  -5.694
  802   2HD   LYS 104          HD1       LYS 104 175.664  -5.351  -7.395
  803   1HE   LYS 104          HE2       LYS 104 175.852  -7.693  -7.401
  804   2HE   LYS 104          HE1       LYS 104 177.487  -7.099  -7.686
  805   1HZ   LYS 104          HZ1       LYS 104 176.847  -7.489  -4.902
  806   2HZ   LYS 104          HZ2       LYS 104 178.213  -7.970  -5.776
  807   3HZ   LYS 104          HZ3       LYS 104 176.810  -8.913  -5.816
  808    H    LYS 105           HN       LYS 105 178.440  -2.175  -5.832
  809    HA   LYS 105           HA       LYS 105 180.387  -2.357  -7.872
  810   1HB   LYS 105          HB2       LYS 105 178.225  -0.570  -7.116
  811   2HB   LYS 105          HB1       LYS 105 179.600   0.317  -7.750
  812   1HG   LYS 105          HG2       LYS 105 179.281  -0.426  -9.842
  813   2HG   LYS 105          HG1       LYS 105 178.836  -2.048  -9.308
  814   1HD   LYS 105          HD2       LYS 105 176.734  -0.521  -8.421
  815   2HD   LYS 105          HD1       LYS 105 177.147   0.244  -9.957
  816   1HE   LYS 105          HE2       LYS 105 176.562  -2.685  -9.534
  817   2HE   LYS 105          HE1       LYS 105 175.469  -1.507 -10.258
  818   1HZ   LYS 105          HZ1       LYS 105 176.680  -2.872 -11.897
  819   2HZ   LYS 105          HZ2       LYS 105 178.137  -2.205 -11.357
  820   3HZ   LYS 105          HZ3       LYS 105 176.971  -1.215 -12.079
  821    H    LEU 106           HN       LEU 106 180.360  -0.842  -4.736
  822    HA   LEU 106           HA       LEU 106 182.720   0.735  -5.235
  823   1HB   LEU 106          HB2       LEU 106 180.706   1.156  -3.579
  824   2HB   LEU 106          HB1       LEU 106 181.706   0.219  -2.486
  825    HG   LEU 106           HG       LEU 106 183.545   1.984  -3.323
  826   1HD1  LEU 106          HD11      LEU 106 180.880   3.271  -3.748
  827   2HD1  LEU 106          HD12      LEU 106 182.331   3.341  -4.749
  828   3HD1  LEU 106          HD13      LEU 106 182.266   4.230  -3.228
  829   1HD2  LEU 106          HD21      LEU 106 181.927   3.224  -1.269
  830   2HD2  LEU 106          HD22      LEU 106 183.536   2.511  -1.161
  831   3HD2  LEU 106          HD23      LEU 106 182.107   1.491  -0.999
  832    H    PHE 107           HN       PHE 107 181.922  -1.957  -3.088
  833    HA   PHE 107           HA       PHE 107 184.540  -2.421  -2.201
  834   1HB   PHE 107          HB2       PHE 107 182.031  -3.511  -1.676
  835   2HB   PHE 107          HB1       PHE 107 182.946  -4.858  -2.344
  836    HD1  PHE 107           HD1      PHE 107 184.207  -2.045  -0.275
  837    HD2  PHE 107           HD2      PHE 107 183.316  -6.200  -0.482
  838    HE1  PHE 107           HE1      PHE 107 185.299  -2.382   1.902
  839    HE2  PHE 107           HE2      PHE 107 184.407  -6.545   1.696
  840    HZ   PHE 107           HZ       PHE 107 185.400  -4.635   2.891
  841    H    ARG 108           HN       ARG 108 182.947  -3.213  -5.163
  842    HA   ARG 108           HA       ARG 108 184.938  -5.214  -5.889
  843   1HB   ARG 108          HB2       ARG 108 182.536  -4.098  -7.333
  844   2HB   ARG 108          HB1       ARG 108 183.658  -5.226  -8.079
  845   1HG   ARG 108          HG2       ARG 108 183.101  -6.939  -6.534
  846   2HG   ARG 108          HG1       ARG 108 182.192  -5.815  -5.522
  847   1HD   ARG 108          HD2       ARG 108 180.543  -6.961  -6.709
  848   2HD   ARG 108          HD1       ARG 108 180.724  -5.444  -7.590
  849    HE   ARG 108           HE       ARG 108 182.398  -7.489  -8.652
  850   1HH1  ARG 108          HH11      ARG 108 179.111  -6.319  -8.609
  851   2HH1  ARG 108          HH12      ARG 108 178.718  -6.995 -10.154
  852   1HH2  ARG 108          HH21      ARG 108 181.883  -8.379 -10.684
  853   2HH2  ARG 108          HH22      ARG 108 180.291  -8.165 -11.332
  854    H    GLU 109           HN       GLU 109 183.969  -1.946  -6.882
  855    HA   GLU 109           HA       GLU 109 185.916  -1.715  -8.937
  856   1HB   GLU 109          HB2       GLU 109 184.250   0.283  -7.428
  857   2HB   GLU 109          HB1       GLU 109 185.441   0.794  -8.616
  858   1HG   GLU 109          HG2       GLU 109 183.512  -1.276  -9.467
  859   2HG   GLU 109          HG1       GLU 109 182.884   0.351  -9.213
  860    H    GLY 110           HN       GLY 110 186.113  -1.497  -5.524
  861   1HA   GLY 110          HA2       GLY 110 188.220   0.339  -5.227
  862   2HA   GLY 110          HA1       GLY 110 187.811  -0.937  -4.093
  863    H    ARG 111           HN       ARG 111 189.289  -2.458  -3.778
  864    HA   ARG 111           HA       ARG 111 191.377  -2.821  -5.808
  865   1HB   ARG 111          HB2       ARG 111 191.473  -2.552  -2.851
  866   2HB   ARG 111          HB1       ARG 111 192.596  -3.678  -3.589
  867   1HG   ARG 111          HG2       ARG 111 193.516  -1.919  -4.968
  868   2HG   ARG 111          HG1       ARG 111 192.321  -0.780  -4.340
  869   1HD   ARG 111          HD2       ARG 111 193.649  -0.300  -2.627
  870   2HD   ARG 111          HD1       ARG 111 193.667  -1.995  -2.141
  871    HE   ARG 111           HE       ARG 111 195.801  -2.100  -2.913
  872   1HH1  ARG 111          HH11      ARG 111 194.170   0.475  -4.613
  873   2HH1  ARG 111          HH12      ARG 111 195.580   0.952  -5.499
  874   1HH2  ARG 111          HH21      ARG 111 197.656  -1.474  -4.077
  875   2HH2  ARG 111          HH22      ARG 111 197.559  -0.154  -5.195
  876    H    PHE 112           HN       PHE 112 189.077  -4.250  -6.012
  877    HA   PHE 112           HA       PHE 112 189.013  -6.734  -4.718
  878   1HB   PHE 112          HB2       PHE 112 187.285  -7.227  -6.120
  879   2HB   PHE 112          HB1       PHE 112 187.336  -5.480  -6.329
  880    HD1  PHE 112           HD1      PHE 112 187.964  -8.691  -7.833
  881    HD2  PHE 112           HD2      PHE 112 188.247  -4.495  -8.335
  882    HE1  PHE 112           HE1      PHE 112 188.293  -9.021 -10.262
  883    HE2  PHE 112           HE2      PHE 112 188.574  -4.792 -10.766
  884    HZ   PHE 112           HZ       PHE 112 188.598  -7.062 -11.730
  885    H    ASN 113           HN       ASN 113 190.579  -5.679  -7.675
  886    HA   ASN 113           HA       ASN 113 191.576  -8.249  -8.396
  887   1HB   ASN 113          HB2       ASN 113 191.311  -5.932  -9.744
  888   2HB   ASN 113          HB1       ASN 113 193.021  -5.833  -9.332
  889   1HD2  ASN 113          HD21      ASN 113 194.426  -7.483 -10.069
  890   2HD2  ASN 113          HD22      ASN 113 194.024  -8.432 -11.455
  Start of MODEL   11
    1   1H    GLY   1          HT1       GLY   1 181.542  -3.991  19.934
    2   2H    GLY   1          HT2       GLY   1 180.160  -4.736  20.562
    3   3H    GLY   1          HT3       GLY   1 181.537  -5.658  20.224
    4   1HA   GLY   1          HA1       GLY   1 182.723  -4.834  22.018
    5   2HA   GLY   1          HA2       GLY   1 181.666  -3.438  22.159
    6    H    GLY   2           HN       GLY   2 180.605  -6.776  21.766
    7   1HA   GLY   2          HA2       GLY   2 180.103  -7.204  24.549
    8   2HA   GLY   2          HA1       GLY   2 178.643  -6.733  23.692
    9    HA   PRO   3           HA       PRO   3 179.899 -11.445  23.404
   10   1HB   PRO   3          HB2       PRO   3 177.462 -11.629  25.109
   11   2HB   PRO   3          HB1       PRO   3 178.937 -12.601  25.146
   12   1HG   PRO   3          HG2       PRO   3 178.497 -10.738  26.994
   13   2HG   PRO   3          HG1       PRO   3 180.122 -10.998  26.333
   14   1HD   PRO   3          HD2       PRO   3 178.168  -8.815  25.762
   15   2HD   PRO   3          HD1       PRO   3 179.940  -8.749  25.861
   16    H    VAL   4           HN       VAL   4 178.735 -12.909  22.111
   17    HA   VAL   4           HA       VAL   4 177.426 -13.431  20.318
   18    HB   VAL   4           HB       VAL   4 175.296 -12.194  22.065
   19   1HG1  VAL   4          1HG1      VAL   4 175.180 -13.900  19.608
   20   2HG1  VAL   4          2HG1      VAL   4 174.264 -12.445  20.000
   21   3HG1  VAL   4          3HG1      VAL   4 173.890 -13.968  20.808
   22   1HG2  VAL   4          1HG2      VAL   4 174.988 -14.308  23.057
   23   2HG2  VAL   4          2HG2      VAL   4 176.731 -14.036  23.060
   24   3HG2  VAL   4          3HG2      VAL   4 176.008 -15.106  21.860
   25    HA   PRO   5           HA       PRO   5 177.570  -9.239  18.422
   26   1HB   PRO   5          HB2       PRO   5 178.573 -10.094  16.048
   27   2HB   PRO   5          HB1       PRO   5 179.590  -9.746  17.451
   28   1HG   PRO   5          HG2       PRO   5 178.589 -12.382  16.442
   29   2HG   PRO   5          HG1       PRO   5 180.203 -11.951  17.038
   30   1HD   PRO   5          HD2       PRO   5 178.389 -13.253  18.567
   31   2HD   PRO   5          HD1       PRO   5 179.568 -12.115  19.249
   32    HA   PRO   6           HA       PRO   6 173.764  -9.626  16.199
   33   1HB   PRO   6          HB2       PRO   6 173.876  -7.423  14.624
   34   2HB   PRO   6          HB1       PRO   6 173.587  -7.338  16.366
   35   1HG   PRO   6          HG2       PRO   6 176.129  -6.906  14.843
   36   2HG   PRO   6          HG1       PRO   6 175.462  -5.971  16.194
   37   1HD   PRO   6          HD2       PRO   6 177.426  -7.810  16.518
   38   2HD   PRO   6          HD1       PRO   6 176.213  -7.474  17.770
   39    H    SER   7           HN       SER   7 175.211 -11.518  15.170
   40    HA   SER   7           HA       SER   7 176.215 -11.237  12.571
   41   1HB   SER   7          HB2       SER   7 175.847 -13.726  12.419
   42   2HB   SER   7          HB1       SER   7 176.756 -13.207  13.838
   43    HG   SER   7           HG       SER   7 173.962 -13.696  13.829
   44    H    THR   8           HN       THR   8 172.963 -11.923  13.747
   45    HA   THR   8           HA       THR   8 171.783 -12.579  11.287
   46    HB   THR   8           HB       THR   8 170.477 -11.221  13.652
   47    HG1  THR   8           1HG      THR   8 170.728 -13.990  13.109
   48   1HG2  THR   8          1HG2      THR   8 168.571 -11.382  12.554
   49   2HG2  THR   8          2HG2      THR   8 168.793 -13.129  12.450
   50   3HG2  THR   8          3HG2      THR   8 169.402 -12.084  11.166
   51    H    ALA   9           HN       ALA   9 172.481  -9.498  12.799
   52    HA   ALA   9           HA       ALA   9 170.888  -7.837  11.206
   53   1HB   ALA   9          HB1       ALA   9 171.937  -7.013  13.217
   54   2HB   ALA   9          HB2       ALA   9 172.460  -6.041  11.841
   55   3HB   ALA   9          HB3       ALA   9 173.539  -7.260  12.521
   56    H    LEU  10           HN       LEU  10 173.922  -9.418  10.558
   57    HA   LEU  10           HA       LEU  10 174.686  -7.830   8.327
   58   1HB   LEU  10          HB2       LEU  10 176.361  -9.128   9.433
   59   2HB   LEU  10          HB1       LEU  10 175.445 -10.607   9.222
   60    HG   LEU  10           HG       LEU  10 175.786 -10.255   6.702
   61   1HD1  LEU  10          HD11      LEU  10 177.543  -8.867   5.977
   62   2HD1  LEU  10          HD12      LEU  10 178.080  -8.554   7.627
   63   3HD1  LEU  10          HD13      LEU  10 176.561  -7.870   7.050
   64   1HD2  LEU  10          HD21      LEU  10 177.090 -11.746   8.490
   65   2HD2  LEU  10          HD22      LEU  10 178.423 -10.719   7.961
   66   3HD2  LEU  10          HD23      LEU  10 177.538 -11.691   6.785
   67    H    ARG  11           HN       ARG  11 173.036 -10.971   8.607
   68    HA   ARG  11           HA       ARG  11 172.732 -11.499   5.896
   69   1HB   ARG  11          HB2       ARG  11 171.058 -13.066   6.496
   70   2HB   ARG  11          HB1       ARG  11 172.191 -13.034   7.839
   71   1HG   ARG  11          HG2       ARG  11 170.578 -12.505   9.257
   72   2HG   ARG  11          HG1       ARG  11 170.110 -11.112   8.282
   73   1HD   ARG  11          HD2       ARG  11 168.581 -12.368   7.023
   74   2HD   ARG  11          HD1       ARG  11 169.275 -13.900   7.550
   75    HE   ARG  11           HE       ARG  11 167.314 -12.314   8.932
   76   1HH1  ARG  11          HH11      ARG  11 169.797 -14.742   9.280
   77   2HH1  ARG  11          HH12      ARG  11 169.135 -15.388  10.744
   78   1HH2  ARG  11          HH21      ARG  11 166.442 -13.163  10.857
   79   2HH2  ARG  11          HH22      ARG  11 167.231 -14.492  11.639
   80    H    GLU  12           HN       GLU  12 171.163  -9.162   7.888
   81    HA   GLU  12           HA       GLU  12 168.823  -8.770   6.355
   82   1HB   GLU  12          HB2       GLU  12 170.134  -7.508   8.615
   83   2HB   GLU  12          HB1       GLU  12 169.430  -6.314   7.533
   84   1HG   GLU  12          HG2       GLU  12 167.392  -8.061   7.695
   85   2HG   GLU  12          HG1       GLU  12 168.132  -8.293   9.279
   86    H    LEU  13           HN       LEU  13 171.865  -6.859   6.463
   87    HA   LEU  13           HA       LEU  13 171.099  -5.288   4.216
   88   1HB   LEU  13          HB2       LEU  13 172.749  -4.020   4.985
   89   2HB   LEU  13          HB1       LEU  13 173.149  -5.261   6.153
   90    HG   LEU  13           HG       LEU  13 174.655  -6.288   4.419
   91   1HD1  LEU  13          HD11      LEU  13 174.372  -5.580   2.323
   92   2HD1  LEU  13          HD12      LEU  13 175.262  -4.138   2.809
   93   3HD1  LEU  13          HD13      LEU  13 173.499  -4.137   2.840
   94   1HD2  LEU  13          HD21      LEU  13 175.285  -4.628   6.286
   95   2HD2  LEU  13          HD22      LEU  13 175.466  -3.460   4.977
   96   3HD2  LEU  13          HD23      LEU  13 176.447  -4.925   4.994
   97    H    ILE  14           HN       ILE  14 172.832  -8.282   4.631
   98    HA   ILE  14           HA       ILE  14 174.033  -8.413   2.090
   99    HB   ILE  14           HB       ILE  14 173.538 -10.274   4.311
  100   1HG1  ILE  14          2HG1      ILE  14 175.855 -10.902   3.842
  101   2HG1  ILE  14          1HG1      ILE  14 175.815  -9.982   2.341
  102   1HG2  ILE  14          1HG2      ILE  14 173.640 -11.276   1.479
  103   2HG2  ILE  14          2HG2      ILE  14 172.489 -11.684   2.752
  104   3HG2  ILE  14          3HG2      ILE  14 174.153 -12.262   2.850
  105   1HD1  ILE  14          HD11      ILE  14 176.980  -8.756   4.064
  106   2HD1  ILE  14          HD12      ILE  14 175.574  -8.862   5.123
  107   3HD1  ILE  14          HD13      ILE  14 175.486  -7.925   3.631
  108    H    GLU  15           HN       GLU  15 171.066  -9.997   3.285
  109    HA   GLU  15           HA       GLU  15 170.283 -10.990   0.766
  110   1HB   GLU  15          HB2       GLU  15 168.482 -10.409   3.116
  111   2HB   GLU  15          HB1       GLU  15 168.187 -11.550   1.811
  112   1HG   GLU  15          HG2       GLU  15 170.633 -11.903   3.452
  113   2HG   GLU  15          HG1       GLU  15 169.077 -12.323   4.167
  114    H    GLU  16           HN       GLU  16 169.523  -7.970   2.435
  115    HA   GLU  16           HA       GLU  16 167.408  -7.153   0.773
  116   1HB   GLU  16          HB2       GLU  16 168.206  -6.219   3.029
  117   2HB   GLU  16          HB1       GLU  16 169.348  -5.278   2.090
  118   1HG   GLU  16          HG2       GLU  16 166.624  -5.092   1.091
  119   2HG   GLU  16          HG1       GLU  16 166.796  -4.532   2.753
  120    H    LEU  17           HN       LEU  17 170.845  -6.242   0.704
  121    HA   LEU  17           HA       LEU  17 170.604  -4.747  -1.693
  122   1HB   LEU  17          HB2       LEU  17 173.072  -5.881  -0.382
  123   2HB   LEU  17          HB1       LEU  17 173.048  -4.656  -1.635
  124    HG   LEU  17           HG       LEU  17 172.148  -4.391   1.223
  125   1HD1  LEU  17          HD11      LEU  17 173.793  -2.680   1.352
  126   2HD1  LEU  17          HD12      LEU  17 174.060  -2.722  -0.391
  127   3HD1  LEU  17          HD13      LEU  17 174.555  -4.087   0.610
  128   1HD2  LEU  17          HD21      LEU  17 170.440  -3.351  -0.155
  129   2HD2  LEU  17          HD22      LEU  17 171.675  -2.468  -1.052
  130   3HD2  LEU  17          HD23      LEU  17 171.407  -2.119   0.655
  131    H    VAL  18           HN       VAL  18 171.164  -8.067  -0.924
  132    HA   VAL  18           HA       VAL  18 172.256  -8.800  -3.427
  133    HB   VAL  18           HB       VAL  18 171.950 -10.104  -1.030
  134   1HG1  VAL  18          1HG1      VAL  18 170.325 -11.730  -2.948
  135   2HG1  VAL  18          2HG1      VAL  18 169.574 -10.632  -1.789
  136   3HG1  VAL  18          3HG1      VAL  18 170.568 -11.971  -1.217
  137   1HG2  VAL  18          1HG2      VAL  18 172.657 -12.142  -2.659
  138   2HG2  VAL  18          2HG2      VAL  18 173.751 -10.871  -2.114
  139   3HG2  VAL  18          3HG2      VAL  18 172.977 -10.751  -3.694
  140    H    ASN  19           HN       ASN  19 169.072  -8.422  -2.116
  141    HA   ASN  19           HA       ASN  19 167.644  -9.707  -4.216
  142   1HB   ASN  19          HB2       ASN  19 166.654  -9.403  -2.000
  143   2HB   ASN  19          HB1       ASN  19 166.743  -7.654  -2.181
  144   1HD2  ASN  19          HD21      ASN  19 165.421  -6.656  -3.789
  145   2HD2  ASN  19          HD22      ASN  19 163.945  -7.403  -4.286
  146    H    ILE  20           HN       ILE  20 168.229  -6.254  -3.425
  147    HA   ILE  20           HA       ILE  20 166.926  -5.177  -5.629
  148    HB   ILE  20           HB       ILE  20 168.233  -3.193  -5.254
  149   1HG1  ILE  20          2HG1      ILE  20 169.955  -4.963  -3.547
  150   2HG1  ILE  20          1HG1      ILE  20 170.452  -4.029  -4.959
  151   1HG2  ILE  20          1HG2      ILE  20 166.505  -4.304  -3.499
  152   2HG2  ILE  20          2HG2      ILE  20 167.150  -2.668  -3.363
  153   3HG2  ILE  20          3HG2      ILE  20 167.897  -3.988  -2.462
  154   1HD1  ILE  20          HD11      ILE  20 170.031  -1.963  -3.697
  155   2HD1  ILE  20          HD12      ILE  20 171.241  -2.990  -2.931
  156   3HD1  ILE  20          HD13      ILE  20 169.602  -2.929  -2.286
  157    H    THR  21           HN       THR  21 170.293  -6.181  -5.256
  158    HA   THR  21           HA       THR  21 171.086  -5.345  -7.862
  159    HB   THR  21           HB       THR  21 172.619  -5.613  -5.900
  160    HG1  THR  21           1HG      THR  21 173.289  -7.055  -8.246
  161   1HG2  THR  21          1HG2      THR  21 171.692  -8.316  -5.992
  162   2HG2  THR  21          2HG2      THR  21 172.731  -7.526  -4.809
  163   3HG2  THR  21          3HG2      THR  21 173.437  -8.266  -6.243
  164    H    GLN  22           HN       GLN  22 169.620  -8.251  -6.633
  165    HA   GLN  22           HA       GLN  22 170.057  -9.530  -9.250
  166   1HB   GLN  22          HB2       GLN  22 169.676 -10.807  -6.547
  167   2HB   GLN  22          HB1       GLN  22 169.711 -11.696  -8.063
  168   1HG   GLN  22          HG2       GLN  22 172.007 -10.651  -8.426
  169   2HG   GLN  22          HG1       GLN  22 171.934 -10.200  -6.723
  170   1HE2  GLN  22          1HE2      GLN  22 173.077 -11.538  -5.538
  171   2HE2  GLN  22          2HE2      GLN  22 173.181 -13.250  -5.738
  172    H    ASN  23           HN       ASN  23 167.810 -10.138  -6.600
  173    HA   ASN  23           HA       ASN  23 165.688 -11.157  -7.847
  174   1HB   ASN  23          HB2       ASN  23 166.064  -9.639  -5.428
  175   2HB   ASN  23          HB1       ASN  23 164.490  -9.280  -6.131
  176   1HD2  ASN  23          HD21      ASN  23 166.513 -11.704  -4.707
  177   2HD2  ASN  23          HD22      ASN  23 165.279 -12.890  -4.469
  178    H    GLN  24           HN       GLN  24 166.585  -7.761  -8.029
  179    HA   GLN  24           HA       GLN  24 164.218  -6.774  -9.157
  180   1HB   GLN  24          HB2       GLN  24 167.045  -5.874  -9.059
  181   2HB   GLN  24          HB1       GLN  24 165.999  -5.117 -10.251
  182   1HG   GLN  24          HG2       GLN  24 164.495  -5.064  -7.939
  183   2HG   GLN  24          HG1       GLN  24 166.135  -4.734  -7.383
  184   1HE2  GLN  24          1HE2      GLN  24 164.171  -3.858 -10.212
  185   2HE2  GLN  24          2HE2      GLN  24 164.493  -2.163 -10.123
  186    H    LYS  25           HN       LYS  25 167.153  -7.987 -10.691
  187    HA   LYS  25           HA       LYS  25 167.481  -9.011 -12.705
  188   1HB   LYS  25          HB2       LYS  25 164.562  -8.633 -13.339
  189   2HB   LYS  25          HB1       LYS  25 165.674  -9.807 -14.027
  190   1HG   LYS  25          HG2       LYS  25 165.556 -11.196 -12.214
  191   2HG   LYS  25          HG1       LYS  25 165.147  -9.889 -11.101
  192   1HD   LYS  25          HD2       LYS  25 163.296 -10.918 -13.246
  193   2HD   LYS  25          HD1       LYS  25 163.273 -11.477 -11.572
  194   1HE   LYS  25          HE2       LYS  25 162.944  -9.074 -10.894
  195   2HE   LYS  25          HE1       LYS  25 162.705  -8.704 -12.601
  196   1HZ   LYS  25          HZ1       LYS  25 160.685  -9.675 -12.622
  197   2HZ   LYS  25          HZ2       LYS  25 160.721  -9.326 -10.968
  198   3HZ   LYS  25          HZ3       LYS  25 161.109 -10.880 -11.511
  199    H    ALA  26           HN       ALA  26 165.045  -6.478 -13.057
  200    HA   ALA  26           HA       ALA  26 166.440  -5.411 -15.371
  201   1HB   ALA  26          HB1       ALA  26 163.771  -5.685 -14.783
  202   2HB   ALA  26          HB2       ALA  26 164.444  -4.664 -16.054
  203   3HB   ALA  26          HB3       ALA  26 164.065  -3.973 -14.476
  204    HA   PRO  27           HA       PRO  27 167.989  -1.848 -13.260
  205   1HB   PRO  27          HB2       PRO  27 167.724   0.162 -14.903
  206   2HB   PRO  27          HB1       PRO  27 168.576  -1.295 -15.452
  207   1HG   PRO  27          HG2       PRO  27 165.710  -0.576 -15.788
  208   2HG   PRO  27          HG1       PRO  27 166.859  -0.989 -17.076
  209   1HD   PRO  27          HD2       PRO  27 165.154  -2.801 -16.013
  210   2HD   PRO  27          HD1       PRO  27 166.793  -3.265 -16.515
  211    H    LEU  28           HN       LEU  28 167.538   0.544 -12.653
  212    HA   LEU  28           HA       LEU  28 164.886   0.596 -11.436
  213   1HB   LEU  28          HB2       LEU  28 167.199   2.447 -10.905
  214   2HB   LEU  28          HB1       LEU  28 165.749   2.259  -9.937
  215    HG   LEU  28           HG       LEU  28 166.520  -0.159  -9.566
  216   1HD1  LEU  28          HD11      LEU  28 168.208  -0.562 -11.078
  217   2HD1  LEU  28          HD12      LEU  28 169.122  -0.177  -9.619
  218   3HD1  LEU  28          HD13      LEU  28 168.915   1.041 -10.878
  219   1HD2  LEU  28          HD21      LEU  28 167.366   0.485  -7.572
  220   2HD2  LEU  28          HD22      LEU  28 166.786   2.066  -8.097
  221   3HD2  LEU  28          HD23      LEU  28 168.486   1.639  -8.296
  222    H    CYS  29           HN       CYS  29 167.033   3.059 -12.784
  223    HA   CYS  29           HA       CYS  29 164.673   4.454 -13.837
  224   1HB   CYS  29          HB2       CYS  29 167.438   5.393 -13.108
  225   2HB   CYS  29          HB1       CYS  29 166.374   6.367 -14.116
  226    H    ASN  30           HN       ASN  30 167.559   2.796 -14.766
  227    HA   ASN  30           HA       ASN  30 168.503   2.300 -16.773
  228   1HB   ASN  30          HB2       ASN  30 166.305   1.268 -17.122
  229   2HB   ASN  30          HB1       ASN  30 165.680   2.793 -17.736
  230   1HD2  ASN  30          HD21      ASN  30 168.573   0.814 -18.305
  231   2HD2  ASN  30          HD22      ASN  30 168.433   0.801 -20.027
  232    H    GLY  31           HN       GLY  31 168.982   4.881 -15.990
  233   1HA   GLY  31          HA2       GLY  31 169.951   6.121 -18.241
  234   2HA   GLY  31          HA1       GLY  31 168.335   6.779 -18.033
  235    H    SER  32           HN       SER  32 168.067   7.095 -15.376
  236    HA   SER  32           HA       SER  32 169.473   9.453 -14.846
  237   1HB   SER  32          HB2       SER  32 168.246   7.689 -12.728
  238   2HB   SER  32          HB1       SER  32 168.436   9.442 -12.703
  239    HG   SER  32           HG       SER  32 166.396   9.246 -13.339
  240    H    MET  33           HN       MET  33 171.619   9.541 -14.634
  241    HA   MET  33           HA       MET  33 173.158   7.398 -13.563
  242   1HB   MET  33          HB2       MET  33 174.090  10.214 -14.070
  243   2HB   MET  33          HB1       MET  33 175.036   8.742 -14.070
  244   1HG   MET  33          HG2       MET  33 172.939   9.478 -16.086
  245   2HG   MET  33          HG1       MET  33 174.683   9.559 -16.325
  246   1HE   MET  33          HE1       MET  33 176.019   6.261 -16.249
  247   2HE   MET  33          HE2       MET  33 176.164   7.994 -16.542
  248   3HE   MET  33          HE3       MET  33 175.705   6.913 -17.858
  249    H    VAL  34           HN       VAL  34 174.661   7.646 -11.760
  250    HA   VAL  34           HA       VAL  34 173.762   9.536  -9.698
  251    HB   VAL  34           HB       VAL  34 174.302   7.452  -8.108
  252   1HG1  VAL  34          1HG1      VAL  34 172.258   8.123  -7.542
  253   2HG1  VAL  34          2HG1      VAL  34 171.633   7.005  -8.754
  254   3HG1  VAL  34          3HG1      VAL  34 171.922   8.692  -9.177
  255   1HG2  VAL  34          1HG2      VAL  34 173.242   5.421  -9.082
  256   2HG2  VAL  34          2HG2      VAL  34 174.768   5.860  -9.848
  257   3HG2  VAL  34          3HG2      VAL  34 173.242   6.225 -10.651
  258    H    TRP  35           HN       TRP  35 175.303  10.161  -8.183
  259    HA   TRP  35           HA       TRP  35 177.916  10.481  -8.997
  260   1HB   TRP  35          HB2       TRP  35 176.327  10.984  -6.643
  261   2HB   TRP  35          HB1       TRP  35 177.956  10.506  -6.191
  262    HD1  TRP  35           HD1      TRP  35 178.267  12.970  -5.239
  263    HE1  TRP  35           HE1      TRP  35 178.953  15.168  -6.384
  264    HE3  TRP  35           HE3      TRP  35 177.280  11.701 -10.099
  265    HZ2  TRP  35           HZ2      TRP  35 179.050  16.227  -8.991
  266    HZ3  TRP  35           HZ3      TRP  35 177.696  13.373 -11.850
  267    HH2  TRP  35           HH2      TRP  35 178.560  15.587 -11.309
  268    H    SER  36           HN       SER  36 176.499   7.813  -7.258
  269    HA   SER  36           HA       SER  36 177.293   5.772  -6.653
  270   1HB   SER  36          HB2       SER  36 178.121   5.581  -8.905
  271   2HB   SER  36          HB1       SER  36 179.535   6.546  -8.509
  272    HG   SER  36           HG       SER  36 179.899   4.239  -8.522
  273    H    ILE  37           HN       ILE  37 179.179   4.647  -5.579
  274    HA   ILE  37           HA       ILE  37 180.374   6.497  -3.650
  275    HB   ILE  37           HB       ILE  37 180.867   3.846  -2.805
  276   1HG1  ILE  37          2HG1      ILE  37 178.016   4.224  -3.759
  277   2HG1  ILE  37          1HG1      ILE  37 179.161   3.011  -4.323
  278   1HG2  ILE  37          1HG2      ILE  37 178.816   5.867  -1.919
  279   2HG2  ILE  37          2HG2      ILE  37 180.488   5.759  -1.368
  280   3HG2  ILE  37          3HG2      ILE  37 179.344   4.473  -0.978
  281   1HD1  ILE  37          HD11      ILE  37 178.176   3.183  -1.488
  282   2HD1  ILE  37          HD12      ILE  37 179.100   1.877  -2.234
  283   3HD1  ILE  37          HD13      ILE  37 177.434   2.176  -2.732
  284    H    ASN  38           HN       ASN  38 182.562   6.490  -3.189
  285    HA   ASN  38           HA       ASN  38 184.218   5.161  -5.204
  286   1HB   ASN  38          HB2       ASN  38 184.238   7.767  -4.637
  287   2HB   ASN  38          HB1       ASN  38 185.369   7.234  -3.397
  288   1HD2  ASN  38          HD21      ASN  38 186.248   8.933  -5.278
  289   2HD2  ASN  38          HD22      ASN  38 187.311   8.132  -6.379
  290    H    LEU  39           HN       LEU  39 183.156   3.771  -3.062
  291    HA   LEU  39           HA       LEU  39 183.661   2.589  -1.144
  292   1HB   LEU  39          HB2       LEU  39 185.230   1.803  -3.479
  293   2HB   LEU  39          HB1       LEU  39 185.872   1.200  -1.960
  294    HG   LEU  39           HG       LEU  39 183.271   0.573  -1.638
  295   1HD1  LEU  39          HD11      LEU  39 183.566  -0.222  -4.465
  296   2HD1  LEU  39          HD12      LEU  39 183.130   1.457  -4.152
  297   3HD1  LEU  39          HD13      LEU  39 182.115   0.154  -3.532
  298   1HD2  LEU  39          HD21      LEU  39 184.002  -1.560  -1.695
  299   2HD2  LEU  39          HD22      LEU  39 185.574  -0.766  -1.767
  300   3HD2  LEU  39          HD23      LEU  39 184.817  -1.359  -3.246
  301    H    THR  40           HN       THR  40 184.225   4.270   0.271
  302    HA   THR  40           HA       THR  40 186.591   3.906   1.666
  303    HB   THR  40           HB       THR  40 187.890   4.815  -0.083
  304    HG1  THR  40           1HG      THR  40 188.881   6.146   1.180
  305   1HG2  THR  40          1HG2      THR  40 185.620   6.179  -0.867
  306   2HG2  THR  40          2HG2      THR  40 187.222   6.284  -1.597
  307   3HG2  THR  40          3HG2      THR  40 186.738   7.446  -0.363
  308    H    ALA  41           HN       ALA  41 185.160   4.095   3.382
  309    HA   ALA  41           HA       ALA  41 184.009   5.117   5.058
  310   1HB   ALA  41          HB1       ALA  41 184.715   7.382   5.665
  311   2HB   ALA  41          HB2       ALA  41 185.553   7.531   4.121
  312   3HB   ALA  41          HB3       ALA  41 186.094   6.344   5.307
  313    H    GLY  42           HN       GLY  42 182.337   6.741   5.591
  314   1HA   GLY  42          HA2       GLY  42 180.251   7.581   5.083
  315   2HA   GLY  42          HA1       GLY  42 181.149   8.559   3.933
  316    H    MET  43           HN       MET  43 180.982   5.087   3.688
  317    HA   MET  43           HA       MET  43 180.000   5.225   1.024
  318   1HB   MET  43          HB2       MET  43 179.868   2.695   1.278
  319   2HB   MET  43          HB1       MET  43 181.451   3.431   1.477
  320   1HG   MET  43          HG2       MET  43 179.897   3.111   3.947
  321   2HG   MET  43          HG1       MET  43 180.384   1.615   3.158
  322   1HE   MET  43          HE1       MET  43 182.121   4.003   6.040
  323   2HE   MET  43          HE2       MET  43 182.444   2.285   6.278
  324   3HE   MET  43          HE3       MET  43 180.818   2.828   5.864
  325    H    TYR  44           HN       TYR  44 178.535   4.422   4.138
  326    HA   TYR  44           HA       TYR  44 176.050   3.550   3.085
  327   1HB   TYR  44          HB2       TYR  44 177.009   4.433   5.783
  328   2HB   TYR  44          HB1       TYR  44 175.281   4.252   5.500
  329    HD1  TYR  44           HD1      TYR  44 174.289   2.163   5.762
  330    HD2  TYR  44           HD2      TYR  44 178.496   2.390   5.174
  331    HE1  TYR  44           HE1      TYR  44 174.472  -0.252   6.184
  332    HE2  TYR  44           HE2      TYR  44 178.690  -0.025   5.592
  333    HH   TYR  44           HH       TYR  44 177.257  -1.785   6.916
  334    H    CYS  45           HN       CYS  45 176.968   6.612   4.667
  335    HA   CYS  45           HA       CYS  45 174.579   7.973   4.106
  336   1HB   CYS  45          HB2       CYS  45 177.381   8.936   4.666
  337   2HB   CYS  45          HB1       CYS  45 176.050  10.053   4.385
  338    H    ALA  46           HN       ALA  46 177.291   7.182   2.133
  339    HA   ALA  46           HA       ALA  46 176.919   9.229   0.168
  340   1HB   ALA  46          HB1       ALA  46 178.391   7.686  -1.226
  341   2HB   ALA  46          HB2       ALA  46 178.481   6.663   0.208
  342   3HB   ALA  46          HB3       ALA  46 179.083   8.320   0.267
  343    H    ALA  47           HN       ALA  47 175.977   5.827   0.446
  344    HA   ALA  47           HA       ALA  47 174.713   5.716  -2.107
  345   1HB   ALA  47          HB1       ALA  47 174.504   3.920   0.304
  346   2HB   ALA  47          HB2       ALA  47 175.514   3.684  -1.123
  347   3HB   ALA  47          HB3       ALA  47 173.758   3.579  -1.257
  348    H    LEU  48           HN       LEU  48 173.700   6.641   1.099
  349    HA   LEU  48           HA       LEU  48 170.891   6.536   0.536
  350   1HB   LEU  48          HB2       LEU  48 171.613   6.218   2.793
  351   2HB   LEU  48          HB1       LEU  48 172.528   7.710   2.775
  352    HG   LEU  48           HG       LEU  48 170.347   8.937   2.510
  353   1HD1  LEU  48          HD11      LEU  48 169.378   6.196   2.465
  354   2HD1  LEU  48          HD12      LEU  48 168.584   7.688   1.962
  355   3HD1  LEU  48          HD13      LEU  48 168.547   7.198   3.655
  356   1HD2  LEU  48          HD21      LEU  48 169.697   8.076   5.012
  357   2HD2  LEU  48          HD22      LEU  48 170.960   9.249   4.643
  358   3HD2  LEU  48          HD23      LEU  48 171.375   7.551   4.875
  359    H    GLU  49           HN       GLU  49 173.391   9.006   0.745
  360    HA   GLU  49           HA       GLU  49 171.653  11.180   0.276
  361   1HB   GLU  49          HB2       GLU  49 173.634  12.531   0.073
  362   2HB   GLU  49          HB1       GLU  49 173.866  11.385   1.385
  363   1HG   GLU  49          HG2       GLU  49 175.125   9.938  -0.215
  364   2HG   GLU  49          HG1       GLU  49 175.028  11.253  -1.383
  365    H    SER  50           HN       SER  50 173.458   9.035  -1.796
  366    HA   SER  50           HA       SER  50 173.054  10.647  -4.157
  367   1HB   SER  50          HB2       SER  50 174.393   8.060  -3.533
  368   2HB   SER  50          HB1       SER  50 173.869   8.328  -5.195
  369    HG   SER  50           HG       SER  50 175.977   9.380  -3.877
  370    H    LEU  51           HN       LEU  51 171.638   7.753  -2.715
  371    HA   LEU  51           HA       LEU  51 169.949   7.156  -4.926
  372   1HB   LEU  51          HB2       LEU  51 170.042   6.271  -2.059
  373   2HB   LEU  51          HB1       LEU  51 168.771   5.746  -3.141
  374    HG   LEU  51           HG       LEU  51 171.713   5.274  -3.592
  375   1HD1  LEU  51          HD11      LEU  51 169.571   3.636  -2.316
  376   2HD1  LEU  51          HD12      LEU  51 171.252   3.864  -1.833
  377   3HD1  LEU  51          HD13      LEU  51 170.863   2.842  -3.217
  378   1HD2  LEU  51          HD21      LEU  51 169.282   4.813  -5.201
  379   2HD2  LEU  51          HD22      LEU  51 170.458   3.499  -5.158
  380   3HD2  LEU  51          HD23      LEU  51 170.945   5.102  -5.710
  381    H    ILE  52           HN       ILE  52 169.557   8.972  -1.930
  382    HA   ILE  52           HA       ILE  52 166.776   9.301  -2.012
  383    HB   ILE  52           HB       ILE  52 168.213   9.841  -0.053
  384   1HG1  ILE  52          2HG1      ILE  52 166.443  12.113  -0.981
  385   2HG1  ILE  52          1HG1      ILE  52 165.875  10.630  -0.221
  386   1HG2  ILE  52          1HG2      ILE  52 169.739  11.486  -0.019
  387   2HG2  ILE  52          2HG2      ILE  52 168.740  12.575  -0.979
  388   3HG2  ILE  52          3HG2      ILE  52 169.691  11.321  -1.774
  389   1HD1  ILE  52          HD11      ILE  52 167.864  11.772   1.447
  390   2HD1  ILE  52          HD12      ILE  52 166.144  11.544   1.769
  391   3HD1  ILE  52          HD13      ILE  52 166.710  13.031   1.006
  392    H    ASN  53           HN       ASN  53 169.287  10.785  -3.868
  393    HA   ASN  53           HA       ASN  53 167.507  12.911  -4.789
  394   1HB   ASN  53          HB2       ASN  53 170.388  12.558  -4.612
  395   2HB   ASN  53          HB1       ASN  53 169.896  13.122  -6.206
  396   1HD2  ASN  53          HD21      ASN  53 170.185  13.889  -2.863
  397   2HD2  ASN  53          HD22      ASN  53 169.745  15.556  -2.983
  398    H    VAL  54           HN       VAL  54 167.237   9.977  -5.466
  399    HA   VAL  54           HA       VAL  54 167.721   9.970  -8.340
  400    HB   VAL  54           HB       VAL  54 166.522   7.819  -6.583
  401   1HG1  VAL  54          1HG1      VAL  54 166.795   6.333  -8.444
  402   2HG1  VAL  54          2HG1      VAL  54 167.570   7.595  -9.401
  403   3HG1  VAL  54          3HG1      VAL  54 165.862   7.729  -8.983
  404   1HG2  VAL  54          1HG2      VAL  54 168.622   6.791  -6.491
  405   2HG2  VAL  54          2HG2      VAL  54 168.964   8.498  -6.206
  406   3HG2  VAL  54          3HG2      VAL  54 169.269   7.790  -7.792
  407    H    SER  55           HN       SER  55 166.142  10.025  -9.887
  408    HA   SER  55           HA       SER  55 163.379  10.433  -8.946
  409   1HB   SER  55          HB2       SER  55 164.189  11.707 -11.498
  410   2HB   SER  55          HB1       SER  55 163.115  12.299 -10.231
  411    HG   SER  55           HG       SER  55 164.805  13.535  -9.864
  412    H    GLY  56           HN       GLY  56 161.773   9.375 -10.007
  413   1HA   GLY  56          HA2       GLY  56 160.750   7.916 -11.457
  414   2HA   GLY  56          HA1       GLY  56 162.009   8.304 -12.620
  415    H    CYS  57           HN       CYS  57 162.306   6.826  -9.407
  416    HA   CYS  57           HA       CYS  57 163.209   4.344 -10.688
  417   1HB   CYS  57          HB2       CYS  57 164.684   6.151  -8.889
  418   2HB   CYS  57          HB1       CYS  57 164.730   4.461  -8.421
  419    H    SER  58           HN       SER  58 163.056   5.397  -7.313
  420    HA   SER  58           HA       SER  58 161.864   4.682  -5.525
  421   1HB   SER  58          HB2       SER  58 160.019   4.922  -7.527
  422   2HB   SER  58          HB1       SER  58 159.785   3.244  -7.028
  423    HG   SER  58           HG       SER  58 158.519   4.354  -5.663
  424    H    ALA  59           HN       ALA  59 163.585   2.753  -7.395
  425    HA   ALA  59           HA       ALA  59 162.715   0.209  -6.253
  426   1HB   ALA  59          HB1       ALA  59 165.123   0.392  -7.983
  427   2HB   ALA  59          HB2       ALA  59 163.551   0.693  -8.722
  428   3HB   ALA  59          HB3       ALA  59 163.866  -0.844  -7.918
  429    H    ILE  60           HN       ILE  60 164.515   2.721  -5.244
  430    HA   ILE  60           HA       ILE  60 166.511   1.068  -3.869
  431    HB   ILE  60           HB       ILE  60 167.446   3.496  -3.416
  432   1HG1  ILE  60          2HG1      ILE  60 167.123   4.932  -5.426
  433   2HG1  ILE  60          1HG1      ILE  60 165.889   3.811  -5.985
  434   1HG2  ILE  60          1HG2      ILE  60 168.464   3.147  -5.918
  435   2HG2  ILE  60          2HG2      ILE  60 167.850   1.537  -5.547
  436   3HG2  ILE  60          3HG2      ILE  60 169.020   2.303  -4.473
  437   1HD1  ILE  60          HD11      ILE  60 165.501   4.834  -3.265
  438   2HD1  ILE  60          HD12      ILE  60 164.345   4.615  -4.579
  439   3HD1  ILE  60          HD13      ILE  60 165.392   6.034  -4.552
  440    H    GLU  61           HN       GLU  61 163.666   2.870  -3.435
  441    HA   GLU  61           HA       GLU  61 163.701   4.211  -1.140
  442   1HB   GLU  61          HB2       GLU  61 161.734   2.510  -2.442
  443   2HB   GLU  61          HB1       GLU  61 161.490   2.605  -0.704
  444   1HG   GLU  61          HG2       GLU  61 162.017   5.206  -1.846
  445   2HG   GLU  61          HG1       GLU  61 160.638   4.421  -2.613
  446    H    LYS  62           HN       LYS  62 163.443   0.685  -1.194
  447    HA   LYS  62           HA       LYS  62 163.514   0.277   1.572
  448   1HB   LYS  62          HB2       LYS  62 164.014  -1.390  -0.831
  449   2HB   LYS  62          HB1       LYS  62 164.677  -1.987   0.684
  450   1HG   LYS  62          HG2       LYS  62 161.853  -1.100   0.699
  451   2HG   LYS  62          HG1       LYS  62 162.235  -2.600  -0.150
  452   1HD   LYS  62          HD2       LYS  62 163.078  -3.611   1.801
  453   2HD   LYS  62          HD1       LYS  62 163.182  -2.069   2.653
  454   1HE   LYS  62          HE2       LYS  62 161.281  -2.945   3.590
  455   2HE   LYS  62          HE1       LYS  62 160.593  -2.026   2.253
  456   1HZ   LYS  62          HZ1       LYS  62 159.939  -4.518   2.691
  457   2HZ   LYS  62          HZ2       LYS  62 161.320  -4.817   1.762
  458   3HZ   LYS  62          HZ3       LYS  62 160.051  -3.903   1.119
  459    H    THR  63           HN       THR  63 166.146   0.265  -0.809
  460    HA   THR  63           HA       THR  63 168.230  -0.226   1.022
  461    HB   THR  63           HB       THR  63 168.210   1.084  -1.701
  462    HG1  THR  63           1HG      THR  63 168.849  -0.894  -2.397
  463   1HG2  THR  63          1HG2      THR  63 170.193   1.836  -0.468
  464   2HG2  THR  63          2HG2      THR  63 170.593   0.777  -1.821
  465   3HG2  THR  63          3HG2      THR  63 170.626   0.152  -0.172
  466    H    GLN  64           HN       GLN  64 166.593   2.694   0.007
  467    HA   GLN  64           HA       GLN  64 168.433   4.587   0.959
  468   1HB   GLN  64          HB2       GLN  64 165.421   4.759   0.752
  469   2HB   GLN  64          HB1       GLN  64 166.480   6.129   1.052
  470   1HG   GLN  64          HG2       GLN  64 167.628   5.466  -1.144
  471   2HG   GLN  64          HG1       GLN  64 166.189   4.491  -1.434
  472   1HE2  GLN  64          1HE2      GLN  64 166.968   6.580  -3.079
  473   2HE2  GLN  64          2HE2      GLN  64 165.799   7.845  -2.969
  474    H    ARG  65           HN       ARG  65 165.435   3.454   2.525
  475    HA   ARG  65           HA       ARG  65 165.823   4.675   4.958
  476   1HB   ARG  65          HB2       ARG  65 164.294   2.237   4.128
  477   2HB   ARG  65          HB1       ARG  65 164.353   2.720   5.818
  478   1HG   ARG  65          HG2       ARG  65 163.663   5.062   4.707
  479   2HG   ARG  65          HG1       ARG  65 162.943   3.949   3.542
  480   1HD   ARG  65          HD2       ARG  65 161.391   3.211   5.006
  481   2HD   ARG  65          HD1       ARG  65 162.496   3.290   6.377
  482    HE   ARG  65           HE       ARG  65 161.682   5.867   5.404
  483   1HH1  ARG  65          HH11      ARG  65 160.851   3.218   7.518
  484   2HH1  ARG  65          HH12      ARG  65 159.864   4.192   8.556
  485   1HH2  ARG  65          HH21      ARG  65 160.385   7.150   6.768
  486   2HH2  ARG  65          HH22      ARG  65 159.599   6.423   8.130
  487    H    MET  66           HN       MET  66 166.595   1.313   4.066
  488    HA   MET  66           HA       MET  66 167.709   0.524   6.480
  489   1HB   MET  66          HB2       MET  66 168.428  -1.373   5.382
  490   2HB   MET  66          HB1       MET  66 167.158  -0.816   4.307
  491   1HG   MET  66          HG2       MET  66 168.700  -1.141   2.724
  492   2HG   MET  66          HG1       MET  66 169.280   0.442   3.230
  493   1HE   MET  66          HE1       MET  66 169.186  -3.022   4.588
  494   2HE   MET  66          HE2       MET  66 170.823  -3.378   5.138
  495   3HE   MET  66          HE3       MET  66 170.395  -3.598   3.441
  496    H    LEU  67           HN       LEU  67 169.116   2.375   3.864
  497    HA   LEU  67           HA       LEU  67 171.809   2.196   4.791
  498   1HB   LEU  67          HB2       LEU  67 170.353   3.842   2.771
  499   2HB   LEU  67          HB1       LEU  67 171.946   4.358   3.288
  500    HG   LEU  67           HG       LEU  67 171.273   1.705   2.016
  501   1HD1  LEU  67          HD11      LEU  67 172.594   4.203   0.995
  502   2HD1  LEU  67          HD12      LEU  67 171.189   3.360   0.343
  503   3HD1  LEU  67          HD13      LEU  67 172.791   2.634   0.215
  504   1HD2  LEU  67          HD21      LEU  67 173.201   0.934   2.797
  505   2HD2  LEU  67          HD22      LEU  67 173.450   2.437   3.685
  506   3HD2  LEU  67          HD23      LEU  67 174.057   2.275   2.038
  507    H    SER  68           HN       SER  68 169.223   4.595   5.114
  508    HA   SER  68           HA       SER  68 170.650   6.584   6.436
  509   1HB   SER  68          HB2       SER  68 168.575   7.529   7.011
  510   2HB   SER  68          HB1       SER  68 168.225   6.619   5.541
  511    HG   SER  68           HG       SER  68 167.113   6.357   7.933
  512    H    GLY  69           HN       GLY  69 168.931   3.793   7.726
  513   1HA   GLY  69          HA2       GLY  69 169.133   4.257  10.418
  514   2HA   GLY  69          HA1       GLY  69 169.163   2.659   9.700
  515    H    PHE  70           HN       PHE  70 171.669   3.419   8.207
  516    HA   PHE  70           HA       PHE  70 173.522   3.048  10.464
  517   1HB   PHE  70          HB2       PHE  70 173.616   2.044   7.623
  518   2HB   PHE  70          HB1       PHE  70 175.023   2.014   8.681
  519    HD1  PHE  70           HD1      PHE  70 172.003   0.362   7.718
  520    HD2  PHE  70           HD2      PHE  70 174.863   0.719  10.849
  521    HE1  PHE  70           HE1      PHE  70 171.246  -1.787   8.649
  522    HE2  PHE  70           HE2      PHE  70 174.112  -1.429  11.785
  523    HZ   PHE  70           HZ       PHE  70 172.301  -2.685  10.684
  524    H    CYS  71           HN       CYS  71 172.768   5.002   7.709
  525    HA   CYS  71           HA       CYS  71 175.090   6.187   6.961
  526   1HB   CYS  71          HB2       CYS  71 173.084   6.854   5.891
  527   2HB   CYS  71          HB1       CYS  71 172.363   7.388   7.402
  528    HA   PRO  72           HA       PRO  72 176.315   7.888  10.980
  529   1HB   PRO  72          HB2       PRO  72 178.952   7.784  10.596
  530   2HB   PRO  72          HB1       PRO  72 178.018   6.312  10.892
  531   1HG   PRO  72          HG2       PRO  72 179.054   7.412   8.309
  532   2HG   PRO  72          HG1       PRO  72 179.037   5.735   8.884
  533   1HD   PRO  72          HD2       PRO  72 177.186   6.815   7.138
  534   2HD   PRO  72          HD1       PRO  72 176.903   5.390   8.157
  535    H    HIS  73           HN       HIS  73 175.278   9.703   9.179
  536    HA   HIS  73           HA       HIS  73 176.653  12.053   9.781
  537   1HB   HIS  73          HB2       HIS  73 177.665  10.683   7.442
  538   2HB   HIS  73          HB1       HIS  73 177.030  12.265   7.009
  539    HD1  HIS  73           HD1      HIS  73 177.895  13.737   9.646
  540    HD2  HIS  73           HD2      HIS  73 180.337  11.306   7.323
  541    HE1  HIS  73           HE1      HIS  73 180.248  14.465  10.154
  542    HE2  HIS  73           HE2      HIS  73 181.711  12.922   8.803
  543    H    LYS  74           HN       LYS  74 175.992  13.750   7.754
  544    HA   LYS  74           HA       LYS  74 173.098  13.762   7.944
  545   1HB   LYS  74          HB2       LYS  74 175.014  15.742   7.996
  546   2HB   LYS  74          HB1       LYS  74 174.343  15.902   6.379
  547   1HG   LYS  74          HG2       LYS  74 172.373  15.623   8.546
  548   2HG   LYS  74          HG1       LYS  74 173.331  17.106   8.562
  549   1HD   LYS  74          HD2       LYS  74 172.617  17.687   6.368
  550   2HD   LYS  74          HD1       LYS  74 171.893  16.098   6.115
  551   1HE   LYS  74          HE2       LYS  74 170.299  18.002   6.636
  552   2HE   LYS  74          HE1       LYS  74 170.136  16.546   7.617
  553   1HZ   LYS  74          HZ1       LYS  74 171.354  17.609   9.383
  554   2HZ   LYS  74          HZ2       LYS  74 170.050  18.589   8.939
  555   3HZ   LYS  74          HZ3       LYS  74 171.615  18.987   8.437
  556    H    VAL  75           HN       VAL  75 171.671  13.777   6.209
  557    HA   VAL  75           HA       VAL  75 172.612  13.577   3.503
  558    HB   VAL  75           HB       VAL  75 171.374  11.176   4.855
  559   1HG1  VAL  75          1HG1      VAL  75 170.235  10.957   2.918
  560   2HG1  VAL  75          2HG1      VAL  75 171.780  10.350   2.321
  561   3HG1  VAL  75          3HG1      VAL  75 171.321  12.029   2.034
  562   1HG2  VAL  75          1HG2      VAL  75 173.765  11.260   5.086
  563   2HG2  VAL  75          2HG2      VAL  75 173.962  11.587   3.365
  564   3HG2  VAL  75          3HG2      VAL  75 173.353  10.021   3.902
  565    H    SER  76           HN       SER  76 171.251  15.263   3.026
  566    HA   SER  76           HA       SER  76 168.525  14.659   2.764
  567   1HB   SER  76          HB2       SER  76 168.412  17.264   3.548
  568   2HB   SER  76          HB1       SER  76 167.951  15.837   4.436
  569    HG   SER  76           HG       SER  76 169.739  15.928   5.629
  570    H    ALA  77           HN       ALA  77 168.243  14.877   0.942
  571    HA   ALA  77           HA       ALA  77 169.698  16.113  -1.081
  572   1HB   ALA  77          HB1       ALA  77 166.827  15.215  -1.022
  573   2HB   ALA  77          HB2       ALA  77 168.221  14.362  -1.684
  574   3HB   ALA  77          HB3       ALA  77 167.619  15.817  -2.478
  575    H    GLY  78           HN       GLY  78 167.030  17.316   0.842
  576   1HA   GLY  78          HA2       GLY  78 166.260  19.548  -0.599
  577   2HA   GLY  78          HA1       GLY  78 166.225  19.445   1.154
  578    H    GLN  79           HN       GLN  79 169.196  19.056   1.207
  579    HA   GLN  79           HA       GLN  79 169.933  21.728   1.624
  580   1HB   GLN  79          HB2       GLN  79 172.175  20.908   1.958
  581   2HB   GLN  79          HB1       GLN  79 171.044  19.765   2.669
  582   1HG   GLN  79          HG2       GLN  79 172.321  18.262   1.600
  583   2HG   GLN  79          HG1       GLN  79 171.299  18.686   0.227
  584   1HE2  GLN  79          1HE2      GLN  79 172.547  18.676  -1.504
  585   2HE2  GLN  79          2HE2      GLN  79 174.079  19.460  -1.652
  586    H    PHE  80           HN       PHE  80 172.064  22.575   0.522
  587    HA   PHE  80           HA       PHE  80 171.960  22.161  -2.365
  588   1HB   PHE  80          HB2       PHE  80 172.168  24.755  -2.552
  589   2HB   PHE  80          HB1       PHE  80 170.590  24.021  -2.320
  590    HD1  PHE  80           HD1      PHE  80 173.009  24.314   0.434
  591    HD2  PHE  80           HD2      PHE  80 169.589  26.008  -1.452
  592    HE1  PHE  80           HE1      PHE  80 172.626  25.729   2.407
  593    HE2  PHE  80           HE2      PHE  80 169.201  27.425   0.520
  594    HZ   PHE  80           HZ       PHE  80 170.721  27.288   2.453
  595    H    SER  81           HN       SER  81 173.673  24.974  -1.488
  596    HA   SER  81           HA       SER  81 175.891  25.468  -1.523
  597   1HB   SER  81          HB2       SER  81 177.239  24.368   0.086
  598   2HB   SER  81          HB1       SER  81 175.596  24.273   0.721
  599    HG   SER  81           HG       SER  81 175.551  22.164   0.348
  600    H    SER  82           HN       SER  82 178.194  24.005  -1.695
  601    HA   SER  82           HA       SER  82 177.923  22.807  -4.360
  602   1HB   SER  82          HB2       SER  82 179.567  24.795  -3.626
  603   2HB   SER  82          HB1       SER  82 180.608  23.425  -3.240
  604    HG   SER  82           HG       SER  82 180.070  22.693  -5.453
  605    H    LEU  83           HN       LEU  83 177.293  21.355  -1.924
  606    HA   LEU  83           HA       LEU  83 179.471  19.556  -1.394
  607   1HB   LEU  83          HB2       LEU  83 176.683  19.899  -0.457
  608   2HB   LEU  83          HB1       LEU  83 177.337  18.274  -0.366
  609    HG   LEU  83           HG       LEU  83 177.665  19.363   1.750
  610   1HD1  LEU  83          HD11      LEU  83 180.353  19.425   0.418
  611   2HD1  LEU  83          HD12      LEU  83 179.491  17.916   0.717
  612   3HD1  LEU  83          HD13      LEU  83 179.949  18.953   2.068
  613   1HD2  LEU  83          HD21      LEU  83 178.564  21.602   0.042
  614   2HD2  LEU  83          HD22      LEU  83 179.416  21.375   1.569
  615   3HD2  LEU  83          HD23      LEU  83 177.670  21.619   1.562
  616    H    HIS  84           HN       HIS  84 179.986  18.707  -3.437
  617    HA   HIS  84           HA       HIS  84 177.988  16.843  -4.536
  618   1HB   HIS  84          HB2       HIS  84 179.529  17.045  -6.639
  619   2HB   HIS  84          HB1       HIS  84 178.354  18.309  -6.296
  620    HD1  HIS  84           HD1      HIS  84 182.046  17.620  -5.695
  621    HD2  HIS  84           HD2      HIS  84 179.425  20.798  -6.234
  622    HE1  HIS  84           HE1      HIS  84 183.492  19.676  -5.781
  623    HE2  HIS  84           HE2      HIS  84 181.891  21.576  -6.195
  624    H    VAL  85           HN       VAL  85 181.384  17.326  -3.776
  625    HA   VAL  85           HA       VAL  85 183.149  15.884  -3.612
  626    HB   VAL  85           HB       VAL  85 181.936  15.495  -1.508
  627   1HG1  VAL  85          1HG1      VAL  85 179.848  14.650  -2.105
  628   2HG1  VAL  85          2HG1      VAL  85 180.669  13.266  -1.384
  629   3HG1  VAL  85          3HG1      VAL  85 180.542  13.400  -3.137
  630   1HG2  VAL  85          1HG2      VAL  85 183.742  14.251  -1.128
  631   2HG2  VAL  85          2HG2      VAL  85 183.762  13.650  -2.785
  632   3HG2  VAL  85          3HG2      VAL  85 182.772  12.846  -1.568
  633    H    ARG  86           HN       ARG  86 182.137  15.687  -6.146
  634    HA   ARG  86           HA       ARG  86 183.232  13.365  -7.132
  635   1HB   ARG  86          HB2       ARG  86 180.652  12.871  -6.019
  636   2HB   ARG  86          HB1       ARG  86 180.535  12.690  -7.764
  637   1HG   ARG  86          HG2       ARG  86 182.463  11.260  -5.945
  638   2HG   ARG  86          HG1       ARG  86 181.036  10.569  -6.718
  639   1HD   ARG  86          HD2       ARG  86 182.035  11.051  -8.922
  640   2HD   ARG  86          HD1       ARG  86 183.479  11.658  -8.112
  641    HE   ARG  86           HE       ARG  86 182.753   8.966  -7.383
  642   1HH1  ARG  86          HH11      ARG  86 184.550  10.958  -9.617
  643   2HH1  ARG  86          HH12      ARG  86 185.648   9.693 -10.055
  644   1HH2  ARG  86          HH21      ARG  86 184.197   7.303  -7.958
  645   2HH2  ARG  86          HH22      ARG  86 185.448   7.618  -9.114
  646    H    ASP  87           HN       ASP  87 183.185  13.267  -9.395
  647    HA   ASP  87           HA       ASP  87 181.653  15.394 -10.735
  648   1HB   ASP  87          HB2       ASP  87 184.529  14.692 -11.335
  649   2HB   ASP  87          HB1       ASP  87 183.578  15.965 -12.094
  650    H    THR  88           HN       THR  88 182.243  12.141 -10.574
  651    HA   THR  88           HA       THR  88 181.737  11.754 -13.446
  652    HB   THR  88           HB       THR  88 182.493   9.420 -11.796
  653    HG1  THR  88           1HG      THR  88 184.382  11.435 -12.435
  654   1HG2  THR  88          1HG2      THR  88 183.443   8.626 -13.683
  655   2HG2  THR  88          2HG2      THR  88 183.980  10.218 -14.219
  656   3HG2  THR  88          3HG2      THR  88 182.295   9.741 -14.423
  657    H    LYS  89           HN       LYS  89 180.079  10.425 -14.126
  658    HA   LYS  89           HA       LYS  89 178.050   9.822 -12.082
  659   1HB   LYS  89          HB2       LYS  89 177.925  10.801 -14.877
  660   2HB   LYS  89          HB1       LYS  89 176.668   9.676 -14.387
  661   1HG   LYS  89          HG2       LYS  89 175.576  11.292 -13.345
  662   2HG   LYS  89          HG1       LYS  89 176.990  11.651 -12.355
  663   1HD   LYS  89          HD2       LYS  89 177.855  13.135 -14.053
  664   2HD   LYS  89          HD1       LYS  89 176.541  12.700 -15.148
  665   1HE   LYS  89          HE2       LYS  89 175.021  13.988 -14.055
  666   2HE   LYS  89          HE1       LYS  89 175.775  13.733 -12.482
  667   1HZ   LYS  89          HZ1       LYS  89 177.420  15.338 -12.960
  668   2HZ   LYS  89          HZ2       LYS  89 175.946  16.039 -13.402
  669   3HZ   LYS  89          HZ3       LYS  89 176.982  15.429 -14.592
  670    H    ILE  90           HN       ILE  90 176.848   7.863 -12.248
  671    HA   ILE  90           HA       ILE  90 178.074   5.790 -13.931
  672    HB   ILE  90           HB       ILE  90 178.432   4.298 -12.238
  673   1HG1  ILE  90          2HG1      ILE  90 176.658   5.678 -10.241
  674   2HG1  ILE  90          1HG1      ILE  90 175.969   4.576 -11.425
  675   1HG2  ILE  90          1HG2      ILE  90 179.654   6.539 -11.859
  676   2HG2  ILE  90          2HG2      ILE  90 179.695   5.317 -10.587
  677   3HG2  ILE  90          3HG2      ILE  90 178.597   6.692 -10.454
  678   1HD1  ILE  90          HD11      ILE  90 176.728   2.769 -10.364
  679   2HD1  ILE  90          HD12      ILE  90 176.878   3.857  -8.985
  680   3HD1  ILE  90          HD13      ILE  90 178.283   3.513  -9.993
  681    H    GLU  91           HN       GLU  91 176.630   3.694 -13.723
  682    HA   GLU  91           HA       GLU  91 173.968   4.528 -14.527
  683   1HB   GLU  91          HB2       GLU  91 175.610   2.062 -14.806
  684   2HB   GLU  91          HB1       GLU  91 173.862   1.873 -14.818
  685   1HG   GLU  91          HG2       GLU  91 175.372   3.733 -16.636
  686   2HG   GLU  91          HG1       GLU  91 174.890   2.093 -17.066
  687    H    VAL  92           HN       VAL  92 172.159   4.281 -13.359
  688    HA   VAL  92           HA       VAL  92 172.088   3.993 -10.653
  689    HB   VAL  92           HB       VAL  92 169.667   2.817 -11.387
  690   1HG1  VAL  92          1HG1      VAL  92 169.705   5.745 -11.404
  691   2HG1  VAL  92          2HG1      VAL  92 170.511   5.004 -10.021
  692   3HG1  VAL  92          3HG1      VAL  92 168.825   4.620 -10.368
  693   1HG2  VAL  92          1HG2      VAL  92 170.352   3.209 -13.768
  694   2HG2  VAL  92          2HG2      VAL  92 170.324   4.938 -13.422
  695   3HG2  VAL  92          3HG2      VAL  92 168.843   3.988 -13.290
  696    H    ALA  93           HN       ALA  93 171.762   1.364 -13.016
  697    HA   ALA  93           HA       ALA  93 171.222  -0.705 -11.205
  698   1HB   ALA  93          HB1       ALA  93 170.904  -1.538 -13.271
  699   2HB   ALA  93          HB2       ALA  93 172.605  -1.987 -13.155
  700   3HB   ALA  93          HB3       ALA  93 172.140  -0.505 -13.989
  701    H    GLN  94           HN       GLN  94 174.334   0.244 -12.659
  702    HA   GLN  94           HA       GLN  94 175.947  -1.493 -11.176
  703   1HB   GLN  94          HB2       GLN  94 176.330   0.477 -13.128
  704   2HB   GLN  94          HB1       GLN  94 177.281   1.016 -11.751
  705   1HG   GLN  94          HG2       GLN  94 177.473  -1.775 -12.827
  706   2HG   GLN  94          HG1       GLN  94 178.438  -0.447 -13.469
  707   1HE2  GLN  94          1HE2      GLN  94 177.870  -2.533 -10.754
  708   2HE2  GLN  94          2HE2      GLN  94 179.319  -2.150  -9.895
  709    H    PHE  95           HN       PHE  95 174.518   1.577 -10.384
  710    HA   PHE  95           HA       PHE  95 176.147   2.244  -8.182
  711   1HB   PHE  95          HB2       PHE  95 174.659   3.869  -9.276
  712   2HB   PHE  95          HB1       PHE  95 173.259   2.968  -8.704
  713    HD1  PHE  95           HD1      PHE  95 175.495   5.605  -8.017
  714    HD2  PHE  95           HD2      PHE  95 173.065   2.664  -6.137
  715    HE1  PHE  95           HE1      PHE  95 175.504   6.929  -5.949
  716    HE2  PHE  95           HE2      PHE  95 173.069   3.982  -4.061
  717    HZ   PHE  95           HZ       PHE  95 174.286   6.121  -3.965
  718    H    VAL  96           HN       VAL  96 173.043   0.584  -8.399
  719    HA   VAL  96           HA       VAL  96 172.716   0.102  -5.651
  720    HB   VAL  96           HB       VAL  96 171.686  -1.571  -7.948
  721   1HG1  VAL  96          1HG1      VAL  96 171.582  -2.119  -5.256
  722   2HG1  VAL  96          2HG1      VAL  96 170.491  -2.761  -6.485
  723   3HG1  VAL  96          3HG1      VAL  96 170.035  -1.329  -5.562
  724   1HG2  VAL  96          1HG2      VAL  96 170.905   1.070  -6.894
  725   2HG2  VAL  96          2HG2      VAL  96 169.584  -0.060  -7.187
  726   3HG2  VAL  96          3HG2      VAL  96 170.680   0.375  -8.499
  727    H    LYS  97           HN       LYS  97 173.804  -2.130  -8.207
  728    HA   LYS  97           HA       LYS  97 174.541  -4.277  -6.651
  729   1HB   LYS  97          HB2       LYS  97 175.954  -3.242  -9.117
  730   2HB   LYS  97          HB1       LYS  97 176.138  -4.856  -8.447
  731   1HG   LYS  97          HG2       LYS  97 174.292  -5.588  -9.445
  732   2HG   LYS  97          HG1       LYS  97 173.359  -4.181  -8.935
  733   1HD   LYS  97          HD2       LYS  97 174.699  -2.953 -10.794
  734   2HD   LYS  97          HD1       LYS  97 174.995  -4.580 -11.408
  735   1HE   LYS  97          HE2       LYS  97 172.373  -3.157 -11.061
  736   2HE   LYS  97          HE1       LYS  97 173.073  -3.822 -12.536
  737   1HZ   LYS  97          HZ1       LYS  97 172.836  -6.054 -11.492
  738   2HZ   LYS  97          HZ2       LYS  97 171.366  -5.283 -11.815
  739   3HZ   LYS  97          HZ3       LYS  97 171.966  -5.331 -10.234
  740    H    ASP  98           HN       ASP  98 176.477  -1.391  -7.422
  741    HA   ASP  98           HA       ASP  98 178.787  -2.259  -6.085
  742   1HB   ASP  98          HB2       ASP  98 177.863   0.300  -7.224
  743   2HB   ASP  98          HB1       ASP  98 179.136   0.395  -6.010
  744    H    LEU  99           HN       LEU  99 176.002  -0.633  -5.095
  745    HA   LEU  99           HA       LEU  99 176.836   0.288  -2.580
  746   1HB   LEU  99          HB2       LEU  99 174.849   1.212  -3.041
  747   2HB   LEU  99          HB1       LEU  99 174.502  -0.061  -4.201
  748    HG   LEU  99           HG       LEU  99 174.049  -1.225  -1.678
  749   1HD1  LEU  99          HD11      LEU  99 172.776   0.227  -0.407
  750   2HD1  LEU  99          HD12      LEU  99 172.528   1.345  -1.748
  751   3HD1  LEU  99          HD13      LEU  99 174.099   1.258  -0.953
  752   1HD2  LEU  99          HD21      LEU  99 171.634  -1.010  -2.406
  753   2HD2  LEU  99          HD22      LEU  99 172.725  -1.810  -3.536
  754   3HD2  LEU  99          HD23      LEU  99 172.239  -0.137  -3.813
  755    H    LEU 100           HN       LEU 100 175.555  -2.759  -3.779
  756    HA   LEU 100           HA       LEU 100 175.290  -4.073  -1.270
  757   1HB   LEU 100          HB2       LEU 100 174.103  -5.063  -3.046
  758   2HB   LEU 100          HB1       LEU 100 175.476  -4.979  -4.128
  759    HG   LEU 100           HG       LEU 100 176.590  -6.752  -2.767
  760   1HD1  LEU 100          HD11      LEU 100 175.512  -7.894  -1.063
  761   2HD1  LEU 100          HD12      LEU 100 173.921  -7.291  -1.529
  762   3HD1  LEU 100          HD13      LEU 100 175.078  -6.214  -0.748
  763   1HD2  LEU 100          HD21      LEU 100 175.747  -8.270  -4.163
  764   2HD2  LEU 100          HD22      LEU 100 174.694  -6.980  -4.743
  765   3HD2  LEU 100          HD23      LEU 100 174.119  -8.099  -3.506
  766    H    LEU 101           HN       LEU 101 177.800  -3.799  -3.693
  767    HA   LEU 101           HA       LEU 101 179.684  -5.606  -2.816
  768   1HB   LEU 101          HB2       LEU 101 180.056  -4.504  -4.850
  769   2HB   LEU 101          HB1       LEU 101 179.856  -2.929  -4.149
  770    HG   LEU 101           HG       LEU 101 182.218  -3.845  -4.896
  771   1HD1  LEU 101          HD11      LEU 101 182.360  -2.421  -2.318
  772   2HD1  LEU 101          HD12      LEU 101 181.358  -1.679  -3.566
  773   3HD1  LEU 101          HD13      LEU 101 183.060  -2.019  -3.885
  774   1HD2  LEU 101          HD21      LEU 101 183.381  -5.123  -3.447
  775   2HD2  LEU 101          HD22      LEU 101 181.770  -5.695  -3.010
  776   3HD2  LEU 101          HD23      LEU 101 182.561  -4.458  -2.034
  777    H    HIS 102           HN       HIS 102 179.950  -2.156  -2.193
  778    HA   HIS 102           HA       HIS 102 181.821  -2.432  -0.113
  779   1HB   HIS 102          HB2       HIS 102 181.280  -0.353  -1.509
  780   2HB   HIS 102          HB1       HIS 102 179.979  -0.064  -0.358
  781    HD2  HIS 102           HD2      HIS 102 182.418  -1.332   1.949
  782    HE1  HIS 102           HE1      HIS 102 183.678   2.658   1.317
  783    HE2  HIS 102           HE2      HIS 102 183.773   0.670   2.888
  784    H    LEU 103           HN       LEU 103 178.308  -1.708   0.182
  785    HA   LEU 103           HA       LEU 103 178.227  -1.485   2.915
  786   1HB   LEU 103          HB2       LEU 103 176.194  -2.571   0.990
  787   2HB   LEU 103          HB1       LEU 103 175.853  -2.249   2.674
  788    HG   LEU 103           HG       LEU 103 176.772  -0.183   0.685
  789   1HD1  LEU 103          HD11      LEU 103 174.050  -0.771   1.821
  790   2HD1  LEU 103          HD12      LEU 103 174.559  -0.901   0.138
  791   3HD1  LEU 103          HD13      LEU 103 174.469   0.681   0.911
  792   1HD2  LEU 103          HD21      LEU 103 175.866   0.049   3.550
  793   2HD2  LEU 103          HD22      LEU 103 176.141   1.410   2.463
  794   3HD2  LEU 103          HD23      LEU 103 177.485   0.364   2.925
  795    H    LYS 104           HN       LYS 104 177.775  -4.492   1.025
  796    HA   LYS 104           HA       LYS 104 177.418  -6.132   3.290
  797   1HB   LYS 104          HB2       LYS 104 177.443  -7.944   1.840
  798   2HB   LYS 104          HB1       LYS 104 176.936  -6.631   0.789
  799   1HG   LYS 104          HG2       LYS 104 179.541  -6.481   0.338
  800   2HG   LYS 104          HG1       LYS 104 179.464  -8.176   0.817
  801   1HD   LYS 104          HD2       LYS 104 177.412  -7.266  -1.094
  802   2HD   LYS 104          HD1       LYS 104 179.068  -7.317  -1.702
  803   1HE   LYS 104          HE2       LYS 104 179.128  -9.682  -0.666
  804   2HE   LYS 104          HE1       LYS 104 177.370  -9.552  -0.653
  805   1HZ   LYS 104          HZ1       LYS 104 179.197  -9.820  -2.909
  806   2HZ   LYS 104          HZ2       LYS 104 177.846  -8.830  -3.142
  807   3HZ   LYS 104          HZ3       LYS 104 177.640 -10.448  -2.695
  808    H    LYS 105           HN       LYS 105 180.319  -5.171   1.491
  809    HA   LYS 105           HA       LYS 105 182.095  -6.913   2.811
  810   1HB   LYS 105          HB2       LYS 105 182.215  -4.759   0.900
  811   2HB   LYS 105          HB1       LYS 105 183.529  -4.617   2.059
  812   1HG   LYS 105          HG2       LYS 105 184.591  -6.420   1.254
  813   2HG   LYS 105          HG1       LYS 105 183.085  -7.324   1.066
  814   1HD   LYS 105          HD2       LYS 105 182.597  -6.154  -0.989
  815   2HD   LYS 105          HD1       LYS 105 184.039  -5.155  -0.795
  816   1HE   LYS 105          HE2       LYS 105 185.242  -7.491  -0.699
  817   2HE   LYS 105          HE1       LYS 105 183.799  -8.027  -1.558
  818   1HZ   LYS 105          HZ1       LYS 105 185.922  -7.094  -2.802
  819   2HZ   LYS 105          HZ2       LYS 105 185.121  -5.626  -2.556
  820   3HZ   LYS 105          HZ3       LYS 105 184.357  -6.873  -3.406
  821    H    LEU 106           HN       LEU 106 180.685  -3.887   3.751
  822    HA   LEU 106           HA       LEU 106 182.624  -3.312   5.791
  823   1HB   LEU 106          HB2       LEU 106 180.801  -1.804   4.440
  824   2HB   LEU 106          HB1       LEU 106 179.996  -2.020   5.983
  825    HG   LEU 106           HG       LEU 106 182.439  -1.290   6.854
  826   1HD1  LEU 106          HD11      LEU 106 183.356  -0.992   4.630
  827   2HD1  LEU 106          HD12      LEU 106 183.240   0.562   5.456
  828   3HD1  LEU 106          HD13      LEU 106 182.057   0.128   4.222
  829   1HD2  LEU 106          HD21      LEU 106 180.098  -0.327   7.266
  830   2HD2  LEU 106          HD22      LEU 106 180.481   0.801   5.965
  831   3HD2  LEU 106          HD23      LEU 106 181.478   0.761   7.419
  832    H    PHE 107           HN       PHE 107 179.183  -4.125   5.877
  833    HA   PHE 107           HA       PHE 107 179.090  -4.579   8.656
  834   1HB   PHE 107          HB2       PHE 107 177.169  -4.258   6.894
  835   2HB   PHE 107          HB1       PHE 107 177.226  -6.016   6.795
  836    HD1  PHE 107           HD1      PHE 107 175.919  -3.224   8.531
  837    HD2  PHE 107           HD2      PHE 107 177.049  -7.295   9.034
  838    HE1  PHE 107           HE1      PHE 107 174.513  -3.361  10.545
  839    HE2  PHE 107           HE2      PHE 107 175.643  -7.440  11.048
  840    HZ   PHE 107           HZ       PHE 107 174.373  -5.471  11.805
  841    H    ARG 108           HN       ARG 108 180.169  -6.527   6.019
  842    HA   ARG 108           HA       ARG 108 180.020  -9.016   7.491
  843   1HB   ARG 108          HB2       ARG 108 179.722  -8.953   5.035
  844   2HB   ARG 108          HB1       ARG 108 181.381  -8.396   4.863
  845   1HG   ARG 108          HG2       ARG 108 182.267 -10.442   5.333
  846   2HG   ARG 108          HG1       ARG 108 180.905 -10.923   6.346
  847   1HD   ARG 108          HD2       ARG 108 179.730 -11.743   4.603
  848   2HD   ARG 108          HD1       ARG 108 180.278 -10.477   3.505
  849    HE   ARG 108           HE       ARG 108 181.850 -11.933   2.746
  850   1HH1  ARG 108          HH11      ARG 108 180.962 -12.898   5.980
  851   2HH1  ARG 108          HH12      ARG 108 181.968 -14.308   5.970
  852   1HH2  ARG 108          HH21      ARG 108 183.172 -13.787   2.730
  853   2HH2  ARG 108          HH22      ARG 108 183.223 -14.812   4.125
  854    H    GLU 109           HN       GLU 109 182.544  -6.768   6.408
  855    HA   GLU 109           HA       GLU 109 184.711  -8.254   7.480
  856   1HB   GLU 109          HB2       GLU 109 184.380  -5.396   6.605
  857   2HB   GLU 109          HB1       GLU 109 185.879  -5.953   7.337
  858   1HG   GLU 109          HG2       GLU 109 184.795  -7.534   5.081
  859   2HG   GLU 109          HG1       GLU 109 185.478  -5.950   4.716
  860    H    GLY 110           HN       GLY 110 182.437  -6.022   8.841
  861   1HA   GLY 110          HA2       GLY 110 182.941  -6.679  11.485
  862   2HA   GLY 110          HA1       GLY 110 183.927  -5.267  11.136
  863    H    ARG 111           HN       ARG 111 181.522  -5.706  12.884
  864    HA   ARG 111           HA       ARG 111 179.614  -3.870  11.648
  865   1HB   ARG 111          HB2       ARG 111 179.483  -5.867  13.851
  866   2HB   ARG 111          HB1       ARG 111 178.427  -4.468  13.969
  867   1HG   ARG 111          HG2       ARG 111 177.055  -5.222  12.377
  868   2HG   ARG 111          HG1       ARG 111 178.388  -5.731  11.340
  869   1HD   ARG 111          HD2       ARG 111 178.327  -7.453  13.597
  870   2HD   ARG 111          HD1       ARG 111 176.685  -7.326  12.968
  871    HE   ARG 111           HE       ARG 111 177.340  -8.482  11.100
  872   1HH1  ARG 111          HH11      ARG 111 180.176  -7.441  12.847
  873   2HH1  ARG 111          HH12      ARG 111 181.268  -8.372  11.879
  874   1HH2  ARG 111          HH21      ARG 111 178.774  -9.707   9.825
  875   2HH2  ARG 111          HH22      ARG 111 180.473  -9.659  10.163
  876    H    PHE 112           HN       PHE 112 182.013  -2.762  12.277
  877    HA   PHE 112           HA       PHE 112 181.868  -1.414  14.822
  878   1HB   PHE 112          HB2       PHE 112 184.035  -0.847  14.426
  879   2HB   PHE 112          HB1       PHE 112 183.921  -2.162  13.268
  880    HD1  PHE 112           HD1      PHE 112 183.802   1.494  13.635
  881    HD2  PHE 112           HD2      PHE 112 184.144  -1.795  10.965
  882    HE1  PHE 112           HE1      PHE 112 184.434   3.042  11.822
  883    HE2  PHE 112           HE2      PHE 112 184.778  -0.261   9.144
  884    HZ   PHE 112           HZ       PHE 112 184.922   2.162   9.572
  885    H    ASN 113           HN       ASN 113 181.241  -0.762  11.454
  886    HA   ASN 113           HA       ASN 113 180.851   2.047  11.724
  887   1HB   ASN 113          HB2       ASN 113 181.337   0.715   9.582
  888   2HB   ASN 113          HB1       ASN 113 179.617   0.338   9.571
  889   1HD2  ASN 113          HD21      ASN 113 181.964   2.945   9.477
  890   2HD2  ASN 113          HD22      ASN 113 180.939   4.090   8.688
  Start of MODEL   12
    1   1H    GLY   1          HT1       GLY   1 197.846  -0.310  -6.737
    2   2H    GLY   1          HT2       GLY   1 198.211  -0.539  -5.101
    3   3H    GLY   1          HT3       GLY   1 199.215  -1.199  -6.292
    4   1HA   GLY   1          HA1       GLY   1 200.141   0.823  -5.239
    5   2HA   GLY   1          HA2       GLY   1 199.972   0.924  -6.985
    6    H    GLY   2           HN       GLY   2 198.119   2.084  -7.843
    7   1HA   GLY   2          HA2       GLY   2 197.726   4.563  -6.541
    8   2HA   GLY   2          HA1       GLY   2 196.864   4.003  -7.966
    9    HA   PRO   3           HA       PRO   3 194.024   4.133  -4.193
   10   1HB   PRO   3          HB2       PRO   3 192.303   6.020  -5.105
   11   2HB   PRO   3          HB1       PRO   3 193.757   6.417  -4.182
   12   1HG   PRO   3          HG2       PRO   3 193.309   6.505  -7.141
   13   2HG   PRO   3          HG1       PRO   3 194.132   7.680  -6.099
   14   1HD   PRO   3          HD2       PRO   3 195.475   5.875  -7.608
   15   2HD   PRO   3          HD1       PRO   3 196.083   6.455  -6.044
   16    H    VAL   4           HN       VAL   4 193.549   4.075  -7.661
   17    HA   VAL   4           HA       VAL   4 190.949   3.356  -7.976
   18    HB   VAL   4           HB       VAL   4 193.215   2.010  -9.441
   19   1HG1  VAL   4          1HG1      VAL   4 191.274   0.935 -10.110
   20   2HG1  VAL   4          2HG1      VAL   4 191.442   2.210 -11.317
   21   3HG1  VAL   4          3HG1      VAL   4 190.299   2.399  -9.987
   22   1HG2  VAL   4          1HG2      VAL   4 193.754   4.245  -9.704
   23   2HG2  VAL   4          2HG2      VAL   4 192.068   4.763  -9.667
   24   3HG2  VAL   4          3HG2      VAL   4 192.709   3.951 -11.095
   25    HA   PRO   5           HA       PRO   5 190.986  -0.405  -5.423
   26   1HB   PRO   5          HB2       PRO   5 188.292  -0.623  -5.233
   27   2HB   PRO   5          HB1       PRO   5 189.235   0.486  -4.230
   28   1HG   PRO   5          HG2       PRO   5 187.668   1.049  -6.719
   29   2HG   PRO   5          HG1       PRO   5 187.747   1.982  -5.212
   30   1HD   PRO   5          HD2       PRO   5 189.151   2.666  -7.424
   31   2HD   PRO   5          HD1       PRO   5 189.751   2.969  -5.781
   32    HA   PRO   6           HA       PRO   6 190.410  -2.866  -9.209
   33   1HB   PRO   6          HB2       PRO   6 191.759  -5.043  -8.307
   34   2HB   PRO   6          HB1       PRO   6 192.569  -3.616  -8.964
   35   1HG   PRO   6          HG2       PRO   6 192.110  -4.388  -6.107
   36   2HG   PRO   6          HG1       PRO   6 193.570  -3.728  -6.867
   37   1HD   PRO   6          HD2       PRO   6 191.863  -2.197  -5.434
   38   2HD   PRO   6          HD1       PRO   6 192.768  -1.566  -6.825
   39    H    SER   7           HN       SER   7 190.031  -5.518  -9.174
   40    HA   SER   7           HA       SER   7 187.377  -5.839  -8.381
   41   1HB   SER   7          HB2       SER   7 188.289  -7.235 -10.118
   42   2HB   SER   7          HB1       SER   7 189.492  -7.906  -9.017
   43    HG   SER   7           HG       SER   7 187.753  -9.334  -9.257
   44    H    THR   8           HN       THR   8 190.332  -6.333  -6.627
   45    HA   THR   8           HA       THR   8 189.489  -8.088  -4.638
   46    HB   THR   8           HB       THR   8 191.444  -5.792  -4.416
   47    HG1  THR   8           1HG      THR   8 191.774  -8.517  -5.112
   48   1HG2  THR   8          1HG2      THR   8 190.657  -6.819  -2.231
   49   2HG2  THR   8          2HG2      THR   8 192.394  -6.799  -2.536
   50   3HG2  THR   8          3HG2      THR   8 191.476  -8.288  -2.762
   51    H    ALA   9           HN       ALA   9 189.053  -4.620  -4.957
   52    HA   ALA   9           HA       ALA   9 188.169  -4.000  -2.393
   53   1HB   ALA   9          HB1       ALA   9 188.683  -2.358  -4.188
   54   2HB   ALA   9          HB2       ALA   9 187.165  -2.040  -3.348
   55   3HB   ALA   9          HB3       ALA   9 187.148  -2.774  -4.951
   56    H    LEU  10           HN       LEU  10 186.544  -5.629  -5.005
   57    HA   LEU  10           HA       LEU  10 183.883  -5.311  -4.189
   58   1HB   LEU  10          HB2       LEU  10 184.426  -6.172  -6.375
   59   2HB   LEU  10          HB1       LEU  10 185.233  -7.562  -5.674
   60    HG   LEU  10           HG       LEU  10 182.350  -7.168  -5.042
   61   1HD1  LEU  10          HD11      LEU  10 182.974  -8.659  -7.520
   62   2HD1  LEU  10          HD12      LEU  10 182.976  -6.898  -7.619
   63   3HD1  LEU  10          HD13      LEU  10 181.531  -7.750  -7.073
   64   1HD2  LEU  10          HD21      LEU  10 182.649  -9.759  -5.561
   65   2HD2  LEU  10          HD22      LEU  10 183.064  -9.055  -3.998
   66   3HD2  LEU  10          HD23      LEU  10 184.328  -9.370  -5.187
   67    H    ARG  11           HN       ARG  11 186.344  -7.660  -3.243
   68    HA   ARG  11           HA       ARG  11 184.722  -9.407  -1.791
   69   1HB   ARG  11          HB2       ARG  11 186.680 -10.323  -0.932
   70   2HB   ARG  11          HB1       ARG  11 187.227  -9.592  -2.434
   71   1HG   ARG  11          HG2       ARG  11 187.720  -7.540  -0.846
   72   2HG   ARG  11          HG1       ARG  11 187.784  -8.811   0.375
   73   1HD   ARG  11          HD2       ARG  11 189.446  -8.577  -2.125
   74   2HD   ARG  11          HD1       ARG  11 189.998  -8.480  -0.454
   75    HE   ARG  11           HE       ARG  11 188.734 -10.976  -1.151
   76   1HH1  ARG  11          HH11      ARG  11 191.739  -9.204  -1.015
   77   2HH1  ARG  11          HH12      ARG  11 192.721 -10.630  -0.973
   78   1HH2  ARG  11          HH21      ARG  11 190.025 -12.849  -1.097
   79   2HH2  ARG  11          HH22      ARG  11 191.748 -12.698  -1.020
   80    H    GLU  12           HN       GLU  12 186.137  -6.322  -0.920
   81    HA   GLU  12           HA       GLU  12 185.729  -6.402   1.846
   82   1HB   GLU  12          HB2       GLU  12 186.409  -4.419  -0.147
   83   2HB   GLU  12          HB1       GLU  12 185.327  -3.741   1.061
   84   1HG   GLU  12          HG2       GLU  12 187.056  -5.002   2.672
   85   2HG   GLU  12          HG1       GLU  12 188.118  -4.655   1.308
   86    H    LEU  13           HN       LEU  13 183.645  -5.038  -0.705
   87    HA   LEU  13           HA       LEU  13 181.528  -4.302   0.994
   88   1HB   LEU  13          HB2       LEU  13 181.978  -4.580  -1.888
   89   2HB   LEU  13          HB1       LEU  13 180.315  -4.837  -1.402
   90    HG   LEU  13           HG       LEU  13 181.896  -2.356  -1.498
   91   1HD1  LEU  13          HD11      LEU  13 179.031  -3.165  -1.805
   92   2HD1  LEU  13          HD12      LEU  13 180.146  -2.576  -3.037
   93   3HD1  LEU  13          HD13      LEU  13 179.534  -1.475  -1.801
   94   1HD2  LEU  13          HD21      LEU  13 181.687  -2.355   0.866
   95   2HD2  LEU  13          HD22      LEU  13 180.024  -2.936   0.788
   96   3HD2  LEU  13          HD23      LEU  13 180.413  -1.302   0.251
   97    H    ILE  14           HN       ILE  14 182.292  -7.287  -0.666
   98    HA   ILE  14           HA       ILE  14 179.837  -8.589  -0.321
   99    HB   ILE  14           HB       ILE  14 182.565  -9.364  -1.064
  100   1HG1  ILE  14          2HG1      ILE  14 181.384 -10.619  -2.778
  101   2HG1  ILE  14          1HG1      ILE  14 179.858 -10.397  -1.929
  102   1HG2  ILE  14          1HG2      ILE  14 180.799 -11.316   0.382
  103   2HG2  ILE  14          2HG2      ILE  14 182.501 -10.950   0.663
  104   3HG2  ILE  14          3HG2      ILE  14 182.017 -11.829  -0.786
  105   1HD1  ILE  14          HD11      ILE  14 179.602  -8.277  -2.668
  106   2HD1  ILE  14          HD12      ILE  14 180.604  -8.888  -3.984
  107   3HD1  ILE  14          HD13      ILE  14 181.335  -7.952  -2.681
  108    H    GLU  15           HN       GLU  15 182.817  -8.983   1.622
  109    HA   GLU  15           HA       GLU  15 181.571 -10.569   3.600
  110   1HB   GLU  15          HB2       GLU  15 184.063  -8.906   3.952
  111   2HB   GLU  15          HB1       GLU  15 183.607 -10.349   4.848
  112   1HG   GLU  15          HG2       GLU  15 184.273 -10.252   1.915
  113   2HG   GLU  15          HG1       GLU  15 185.355 -10.790   3.198
  114    H    GLU  16           HN       GLU  16 181.986  -7.103   3.286
  115    HA   GLU  16           HA       GLU  16 181.380  -6.431   5.969
  116   1HB   GLU  16          HB2       GLU  16 182.470  -5.037   4.084
  117   2HB   GLU  16          HB1       GLU  16 180.825  -4.661   3.617
  118   1HG   GLU  16          HG2       GLU  16 180.548  -3.974   6.102
  119   2HG   GLU  16          HG1       GLU  16 182.309  -3.897   6.088
  120    H    LEU  17           HN       LEU  17 179.433  -6.481   3.015
  121    HA   LEU  17           HA       LEU  17 177.030  -5.691   4.311
  122   1HB   LEU  17          HB2       LEU  17 177.407  -7.044   1.640
  123   2HB   LEU  17          HB1       LEU  17 175.954  -6.236   2.192
  124    HG   LEU  17           HG       LEU  17 178.582  -4.806   1.853
  125   1HD1  LEU  17          HD11      LEU  17 178.194  -4.421  -0.332
  126   2HD1  LEU  17          HD12      LEU  17 176.442  -4.399  -0.129
  127   3HD1  LEU  17          HD13      LEU  17 177.300  -5.937  -0.225
  128   1HD2  LEU  17          HD21      LEU  17 176.256  -4.063   3.134
  129   2HD2  LEU  17          HD22      LEU  17 176.109  -3.318   1.542
  130   3HD2  LEU  17          HD23      LEU  17 177.517  -2.978   2.547
  131    H    VAL  18           HN       VAL  18 178.597  -8.717   3.600
  132    HA   VAL  18           HA       VAL  18 176.318 -10.322   4.093
  133    HB   VAL  18           HB       VAL  18 178.723 -10.850   2.978
  134   1HG1  VAL  18          1HG1      VAL  18 180.058 -12.281   4.281
  135   2HG1  VAL  18          2HG1      VAL  18 178.851 -12.367   5.564
  136   3HG1  VAL  18          3HG1      VAL  18 179.745 -10.872   5.293
  137   1HG2  VAL  18          1HG2      VAL  18 177.010 -12.245   2.373
  138   2HG2  VAL  18          2HG2      VAL  18 176.557 -12.588   4.043
  139   3HG2  VAL  18          3HG2      VAL  18 177.995 -13.337   3.347
  140    H    ASN  19           HN       ASN  19 178.937  -9.060   6.001
  141    HA   ASN  19           HA       ASN  19 178.450 -10.547   8.361
  142   1HB   ASN  19          HB2       ASN  19 180.577  -9.352   7.873
  143   2HB   ASN  19          HB1       ASN  19 179.737  -7.821   8.104
  144   1HD2  ASN  19          HD21      ASN  19 180.264  -6.965   9.969
  145   2HD2  ASN  19          HD22      ASN  19 180.455  -7.809  11.465
  146    H    ILE  20           HN       ILE  20 177.522  -7.212   7.427
  147    HA   ILE  20           HA       ILE  20 176.092  -6.649   9.763
  148    HB   ILE  20           HB       ILE  20 175.141  -4.815   8.547
  149   1HG1  ILE  20          2HG1      ILE  20 176.115  -6.268   6.100
  150   2HG1  ILE  20          1HG1      ILE  20 174.462  -5.787   6.479
  151   1HG2  ILE  20          1HG2      ILE  20 177.774  -4.751   7.287
  152   2HG2  ILE  20          2HG2      ILE  20 177.787  -5.189   8.995
  153   3HG2  ILE  20          3HG2      ILE  20 177.061  -3.666   8.481
  154   1HD1  ILE  20          HD11      ILE  20 176.741  -4.128   5.501
  155   2HD1  ILE  20          HD12      ILE  20 175.423  -3.381   6.404
  156   3HD1  ILE  20          HD13      ILE  20 175.087  -4.236   4.899
  157    H    THR  21           HN       THR  21 175.058  -7.993   6.655
  158    HA   THR  21           HA       THR  21 172.301  -8.162   7.455
  159    HB   THR  21           HB       THR  21 173.087  -7.842   5.083
  160    HG1  THR  21           1HG      THR  21 171.161  -8.514   4.681
  161   1HG2  THR  21          1HG2      THR  21 174.629 -10.079   5.512
  162   2HG2  THR  21          2HG2      THR  21 174.268  -9.340   3.952
  163   3HG2  THR  21          3HG2      THR  21 173.285 -10.680   4.542
  164    H    GLN  22           HN       GLN  22 174.936  -9.915   8.368
  165    HA   GLN  22           HA       GLN  22 173.628 -12.517   8.356
  166   1HB   GLN  22          HB2       GLN  22 176.373 -11.521   8.724
  167   2HB   GLN  22          HB1       GLN  22 175.943 -12.867   9.770
  168   1HG   GLN  22          HG2       GLN  22 175.213 -13.157   6.932
  169   2HG   GLN  22          HG1       GLN  22 176.938 -13.151   7.296
  170   1HE2  GLN  22          1HE2      GLN  22 177.207 -15.300   6.762
  171   2HE2  GLN  22          2HE2      GLN  22 176.598 -16.587   7.739
  172    H    ASN  23           HN       ASN  23 172.263 -10.617   9.869
  173    HA   ASN  23           HA       ASN  23 172.902 -11.305  12.648
  174   1HB   ASN  23          HB2       ASN  23 171.546  -9.011  11.329
  175   2HB   ASN  23          HB1       ASN  23 170.976  -9.471  12.928
  176   1HD2  ASN  23          HD21      ASN  23 173.802  -8.530  11.082
  177   2HD2  ASN  23          HD22      ASN  23 174.678  -7.856  12.408
  178    H    GLN  24           HN       GLN  24 171.070 -11.773  14.094
  179    HA   GLN  24           HA       GLN  24 169.544 -13.926  13.212
  180   1HB   GLN  24          HB2       GLN  24 169.558 -12.197  15.625
  181   2HB   GLN  24          HB1       GLN  24 168.111 -13.156  15.348
  182   1HG   GLN  24          HG2       GLN  24 170.074 -14.998  14.951
  183   2HG   GLN  24          HG1       GLN  24 170.783 -13.976  16.201
  184   1HE2  GLN  24          1HE2      GLN  24 170.276 -14.434  18.218
  185   2HE2  GLN  24          2HE2      GLN  24 168.916 -15.361  18.740
  186    H    LYS  25           HN       LYS  25 166.982 -13.776  13.820
  187    HA   LYS  25           HA       LYS  25 165.772 -12.573  11.620
  188   1HB   LYS  25          HB2       LYS  25 164.331 -13.165  14.198
  189   2HB   LYS  25          HB1       LYS  25 163.688 -13.212  12.562
  190   1HG   LYS  25          HG2       LYS  25 165.346 -15.102  12.145
  191   2HG   LYS  25          HG1       LYS  25 165.537 -15.156  13.899
  192   1HD   LYS  25          HD2       LYS  25 162.838 -15.151  13.684
  193   2HD   LYS  25          HD1       LYS  25 163.282 -16.010  12.208
  194   1HE   LYS  25          HE2       LYS  25 164.865 -17.323  13.852
  195   2HE   LYS  25          HE1       LYS  25 163.702 -16.773  15.057
  196   1HZ   LYS  25          HZ1       LYS  25 163.054 -18.916  14.242
  197   2HZ   LYS  25          HZ2       LYS  25 163.110 -18.387  12.636
  198   3HZ   LYS  25          HZ3       LYS  25 161.936 -17.774  13.687
  199    H    ALA  26           HN       ALA  26 166.221 -11.398  14.896
  200    HA   ALA  26           HA       ALA  26 164.566  -9.143  14.765
  201   1HB   ALA  26          HB1       ALA  26 166.972  -8.787  16.378
  202   2HB   ALA  26          HB2       ALA  26 166.139 -10.310  16.685
  203   3HB   ALA  26          HB3       ALA  26 165.274  -8.783  16.856
  204    HA   PRO  27           HA       PRO  27 166.942  -6.175  12.519
  205   1HB   PRO  27          HB2       PRO  27 166.438  -3.884  13.664
  206   2HB   PRO  27          HB1       PRO  27 165.080  -4.885  13.109
  207   1HG   PRO  27          HG2       PRO  27 166.329  -4.780  15.808
  208   2HG   PRO  27          HG1       PRO  27 164.620  -4.497  15.420
  209   1HD   PRO  27          HD2       PRO  27 165.522  -6.896  16.267
  210   2HD   PRO  27          HD1       PRO  27 164.246  -6.781  15.036
  211    H    LEU  28           HN       LEU  28 168.331  -3.960  13.103
  212    HA   LEU  28           HA       LEU  28 170.681  -5.037  14.442
  213   1HB   LEU  28          HB2       LEU  28 171.104  -4.110  12.291
  214   2HB   LEU  28          HB1       LEU  28 170.238  -2.638  12.682
  215    HG   LEU  28           HG       LEU  28 171.985  -1.923  14.173
  216   1HD1  LEU  28          HD11      LEU  28 173.214  -4.619  13.638
  217   2HD1  LEU  28          HD12      LEU  28 172.624  -3.997  15.179
  218   3HD1  LEU  28          HD13      LEU  28 174.051  -3.283  14.428
  219   1HD2  LEU  28          HD21      LEU  28 173.650  -2.896  11.935
  220   2HD2  LEU  28          HD22      LEU  28 173.432  -1.263  12.564
  221   3HD2  LEU  28          HD23      LEU  28 172.212  -1.970  11.506
  222    H    CYS  29           HN       CYS  29 169.758  -1.644  14.326
  223    HA   CYS  29           HA       CYS  29 170.538  -1.240  17.038
  224   1HB   CYS  29          HB2       CYS  29 169.078   0.618  15.152
  225   2HB   CYS  29          HB1       CYS  29 169.835   1.085  16.671
  226    H    ASN  30           HN       ASN  30 167.619  -2.202  15.564
  227    HA   ASN  30           HA       ASN  30 165.449  -2.342  16.261
  228   1HB   ASN  30          HB2       ASN  30 165.191  -3.365  18.482
  229   2HB   ASN  30          HB1       ASN  30 166.503  -4.108  17.576
  230   1HD2  ASN  30          HD21      ASN  30 165.597  -2.512  20.422
  231   2HD2  ASN  30          HD22      ASN  30 167.164  -2.388  21.137
  232    H    GLY  31           HN       GLY  31 164.974  -0.074  15.958
  233   1HA   GLY  31          HA2       GLY  31 163.404   1.336  17.291
  234   2HA   GLY  31          HA1       GLY  31 164.651   1.354  18.527
  235    H    SER  32           HN       SER  32 165.147   1.708  15.039
  236    HA   SER  32           HA       SER  32 165.357   4.554  15.143
  237   1HB   SER  32          HB2       SER  32 167.975   3.149  14.669
  238   2HB   SER  32          HB1       SER  32 167.682   4.863  14.958
  239    HG   SER  32           HG       SER  32 167.744   4.505  17.028
  240    H    MET  33           HN       MET  33 164.328   4.883  13.280
  241    HA   MET  33           HA       MET  33 164.692   3.213  10.986
  242   1HB   MET  33          HB2       MET  33 163.293   5.879  11.102
  243   2HB   MET  33          HB1       MET  33 163.014   4.558   9.990
  244   1HG   MET  33          HG2       MET  33 162.417   4.507  12.930
  245   2HG   MET  33          HG1       MET  33 161.236   4.745  11.644
  246   1HE   MET  33          HE1       MET  33 161.265   3.254   9.626
  247   2HE   MET  33          HE2       MET  33 160.026   2.267  10.401
  248   3HE   MET  33          HE3       MET  33 161.433   1.499   9.665
  249    H    VAL  34           HN       VAL  34 165.274   4.134   8.843
  250    HA   VAL  34           HA       VAL  34 167.003   6.480   8.922
  251    HB   VAL  34           HB       VAL  34 168.724   5.097   7.548
  252   1HG1  VAL  34          1HG1      VAL  34 170.063   5.003   9.401
  253   2HG1  VAL  34          2HG1      VAL  34 168.782   4.365  10.432
  254   3HG1  VAL  34          3HG1      VAL  34 168.792   6.073   9.991
  255   1HG2  VAL  34          1HG2      VAL  34 167.496   2.885   9.190
  256   2HG2  VAL  34          2HG2      VAL  34 168.900   2.766   8.129
  257   3HG2  VAL  34          3HG2      VAL  34 167.301   3.068   7.447
  258    H    TRP  35           HN       TRP  35 167.123   7.544   6.960
  259    HA   TRP  35           HA       TRP  35 165.067   7.096   5.123
  260   1HB   TRP  35          HB2       TRP  35 167.611   8.680   4.839
  261   2HB   TRP  35          HB1       TRP  35 166.355   8.616   3.614
  262    HD1  TRP  35           HD1      TRP  35 167.442  10.925   5.992
  263    HE1  TRP  35           HE1      TRP  35 165.548  12.390   6.887
  264    HE3  TRP  35           HE3      TRP  35 163.445   8.088   4.546
  265    HZ2  TRP  35           HZ2      TRP  35 162.726  12.372   6.992
  266    HZ3  TRP  35           HZ3      TRP  35 161.180   8.885   5.083
  267    HH2  TRP  35           HH2      TRP  35 160.828  10.983   6.282
  268    H    SER  36           HN       SER  36 164.869   5.385   3.974
  269    HA   SER  36           HA       SER  36 166.536   3.410   3.249
  270   1HB   SER  36          HB2       SER  36 165.041   3.635   0.942
  271   2HB   SER  36          HB1       SER  36 164.532   2.816   2.417
  272    HG   SER  36           HG       SER  36 163.348   4.546   2.989
  273    H    ILE  37           HN       ILE  37 167.882   2.863   1.499
  274    HA   ILE  37           HA       ILE  37 169.694   4.729   0.664
  275    HB   ILE  37           HB       ILE  37 169.050   2.189  -0.833
  276   1HG1  ILE  37          2HG1      ILE  37 169.190   1.608   1.530
  277   2HG1  ILE  37          1HG1      ILE  37 170.663   1.093   0.718
  278   1HG2  ILE  37          1HG2      ILE  37 170.642   3.552  -1.921
  279   2HG2  ILE  37          2HG2      ILE  37 171.517   2.237  -1.138
  280   3HG2  ILE  37          3HG2      ILE  37 171.501   3.843  -0.414
  281   1HD1  ILE  37          HD11      ILE  37 170.344   3.571   2.391
  282   2HD1  ILE  37          HD12      ILE  37 171.818   3.070   1.563
  283   3HD1  ILE  37          HD13      ILE  37 171.161   2.083   2.870
  284    H    ASN  38           HN       ASN  38 170.201   5.446  -1.492
  285    HA   ASN  38           HA       ASN  38 167.887   5.758  -3.275
  286   1HB   ASN  38          HB2       ASN  38 168.608   7.806  -1.710
  287   2HB   ASN  38          HB1       ASN  38 169.763   8.057  -3.016
  288   1HD2  ASN  38          HD21      ASN  38 166.371   7.018  -2.887
  289   2HD2  ASN  38          HD22      ASN  38 165.789   8.205  -4.000
  290    H    LEU  39           HN       LEU  39 169.131   3.939  -4.225
  291    HA   LEU  39           HA       LEU  39 171.608   3.816  -5.242
  292   1HB   LEU  39          HB2       LEU  39 169.007   3.037  -6.528
  293   2HB   LEU  39          HB1       LEU  39 170.563   2.612  -7.213
  294    HG   LEU  39           HG       LEU  39 169.461   0.822  -5.874
  295   1HD1  LEU  39          HD11      LEU  39 171.855   1.100  -4.321
  296   2HD1  LEU  39          HD12      LEU  39 172.144   1.593  -5.990
  297   3HD1  LEU  39          HD13      LEU  39 171.505  -0.013  -5.643
  298   1HD2  LEU  39          HD21      LEU  39 169.544   0.919  -3.457
  299   2HD2  LEU  39          HD22      LEU  39 168.533   2.212  -4.093
  300   3HD2  LEU  39          HD23      LEU  39 170.168   2.562  -3.529
  301    H    THR  40           HN       THR  40 169.017   5.793  -6.448
  302    HA   THR  40           HA       THR  40 170.120   6.527  -8.925
  303    HB   THR  40           HB       THR  40 167.818   6.965  -8.576
  304    HG1  THR  40           1HG      THR  40 167.866   8.829  -9.528
  305   1HG2  THR  40          1HG2      THR  40 167.618   9.080  -6.784
  306   2HG2  THR  40          2HG2      THR  40 168.640   7.886  -5.983
  307   3HG2  THR  40          3HG2      THR  40 167.038   7.430  -6.562
  308    H    ALA  41           HN       ALA  41 172.379   6.809  -8.290
  309    HA   ALA  41           HA       ALA  41 174.216   8.102  -7.937
  310   1HB   ALA  41          HB1       ALA  41 174.141  10.198  -8.796
  311   2HB   ALA  41          HB2       ALA  41 172.676  10.628  -7.913
  312   3HB   ALA  41          HB3       ALA  41 172.570   9.636  -9.368
  313    H    GLY  42           HN       GLY  42 175.379   9.165  -6.311
  314   1HA   GLY  42          HA2       GLY  42 175.883   9.568  -4.103
  315   2HA   GLY  42          HA1       GLY  42 174.456  10.590  -4.156
  316    H    MET  43           HN       MET  43 174.330   7.120  -4.609
  317    HA   MET  43           HA       MET  43 172.410   6.845  -2.521
  318   1HB   MET  43          HB2       MET  43 172.464   4.451  -3.070
  319   2HB   MET  43          HB1       MET  43 172.306   5.449  -4.504
  320   1HG   MET  43          HG2       MET  43 173.850   3.979  -5.239
  321   2HG   MET  43          HG1       MET  43 174.915   5.214  -4.568
  322   1HE   MET  43          HE1       MET  43 173.761   1.940  -4.870
  323   2HE   MET  43          HE2       MET  43 173.503   1.318  -3.240
  324   3HE   MET  43          HE3       MET  43 175.028   1.010  -4.071
  325    H    TYR  44           HN       TYR  44 175.836   6.015  -2.854
  326    HA   TYR  44           HA       TYR  44 176.144   4.590  -0.464
  327   1HB   TYR  44          HB2       TYR  44 178.198   6.422  -1.723
  328   2HB   TYR  44          HB1       TYR  44 178.511   5.054  -0.660
  329    HD1  TYR  44           HD1      TYR  44 177.722   6.100  -4.060
  330    HD2  TYR  44           HD2      TYR  44 178.256   2.755  -1.486
  331    HE1  TYR  44           HE1      TYR  44 177.910   4.629  -6.021
  332    HE2  TYR  44           HE2      TYR  44 178.446   1.274  -3.440
  333    HH   TYR  44           HH       TYR  44 179.126   2.204  -6.394
  334    H    CYS  45           HN       CYS  45 176.687   8.039  -1.136
  335    HA   CYS  45           HA       CYS  45 177.217   8.792   1.521
  336   1HB   CYS  45          HB2       CYS  45 177.615  10.129  -0.634
  337   2HB   CYS  45          HB1       CYS  45 175.924  10.600  -0.513
  338    H    ALA  46           HN       ALA  46 174.315   7.926  -0.075
  339    HA   ALA  46           HA       ALA  46 172.484   9.376   1.560
  340   1HB   ALA  46          HB1       ALA  46 172.262   7.910  -0.741
  341   2HB   ALA  46          HB2       ALA  46 170.908   8.491   0.227
  342   3HB   ALA  46          HB3       ALA  46 171.508   6.847   0.449
  343    H    ALA  47           HN       ALA  47 173.632   6.016   1.528
  344    HA   ALA  47           HA       ALA  47 172.267   5.262   3.906
  345   1HB   ALA  47          HB1       ALA  47 173.584   3.920   1.903
  346   2HB   ALA  47          HB2       ALA  47 172.957   3.202   3.387
  347   3HB   ALA  47          HB3       ALA  47 174.647   3.697   3.292
  348    H    LEU  48           HN       LEU  48 175.308   6.810   3.261
  349    HA   LEU  48           HA       LEU  48 176.485   6.233   5.804
  350   1HB   LEU  48          HB2       LEU  48 177.932   6.660   3.952
  351   2HB   LEU  48          HB1       LEU  48 177.131   8.176   3.596
  352    HG   LEU  48           HG       LEU  48 178.030   9.185   5.599
  353   1HD1  LEU  48          HD11      LEU  48 178.313   7.756   7.310
  354   2HD1  LEU  48          HD12      LEU  48 179.935   7.575   6.643
  355   3HD1  LEU  48          HD13      LEU  48 178.684   6.397   6.249
  356   1HD2  LEU  48          HD21      LEU  48 180.084   9.586   4.734
  357   2HD2  LEU  48          HD22      LEU  48 179.411   8.699   3.366
  358   3HD2  LEU  48          HD23      LEU  48 180.452   7.874   4.526
  359    H    GLU  49           HN       GLU  49 174.771   8.923   4.318
  360    HA   GLU  49           HA       GLU  49 175.033  10.664   6.516
  361   1HB   GLU  49          HB2       GLU  49 173.433  12.083   5.403
  362   2HB   GLU  49          HB1       GLU  49 174.546  11.429   4.210
  363   1HG   GLU  49          HG2       GLU  49 172.937   9.951   3.361
  364   2HG   GLU  49          HG1       GLU  49 171.878  10.176   4.751
  365    H    SER  50           HN       SER  50 172.647   8.264   5.599
  366    HA   SER  50           HA       SER  50 170.787   9.008   7.661
  367   1HB   SER  50          HB2       SER  50 169.890   6.611   7.006
  368   2HB   SER  50          HB1       SER  50 169.668   7.980   5.918
  369    HG   SER  50           HG       SER  50 171.483   5.837   5.744
  370    H    LEU  51           HN       LEU  51 173.384   6.695   7.263
  371    HA   LEU  51           HA       LEU  51 172.824   5.146   9.573
  372   1HB   LEU  51          HB2       LEU  51 175.170   5.477   7.753
  373   2HB   LEU  51          HB1       LEU  51 175.373   4.611   9.263
  374    HG   LEU  51           HG       LEU  51 173.201   3.840   7.342
  375   1HD1  LEU  51          HD11      LEU  51 175.820   2.435   7.281
  376   2HD1  LEU  51          HD12      LEU  51 175.649   3.938   6.376
  377   3HD1  LEU  51          HD13      LEU  51 174.581   2.577   6.034
  378   1HD2  LEU  51          HD21      LEU  51 174.128   1.583   8.509
  379   2HD2  LEU  51          HD22      LEU  51 172.803   2.557   9.147
  380   3HD2  LEU  51          HD23      LEU  51 174.434   2.762   9.784
  381    H    ILE  52           HN       ILE  52 174.800   8.010   8.982
  382    HA   ILE  52           HA       ILE  52 176.188   8.037  11.420
  383    HB   ILE  52           HB       ILE  52 176.800   9.461   9.505
  384   1HG1  ILE  52          2HG1      ILE  52 176.297  11.489  11.592
  385   2HG1  ILE  52          1HG1      ILE  52 177.078  10.014  12.153
  386   1HG2  ILE  52          1HG2      ILE  52 175.233  11.738   9.833
  387   2HG2  ILE  52          2HG2      ILE  52 174.090  10.396   9.822
  388   3HG2  ILE  52          3HG2      ILE  52 175.206  10.614   8.476
  389   1HD1  ILE  52          HD11      ILE  52 178.985  10.951  11.521
  390   2HD1  ILE  52          HD12      ILE  52 178.153  12.216  10.616
  391   3HD1  ILE  52          HD13      ILE  52 178.469  10.654   9.861
  392    H    ASN  53           HN       ASN  53 172.933   8.974  10.612
  393    HA   ASN  53           HA       ASN  53 172.423  10.579  12.895
  394   1HB   ASN  53          HB2       ASN  53 170.790   9.275  10.781
  395   2HB   ASN  53          HB1       ASN  53 169.963   9.700  12.276
  396   1HD2  ASN  53          HD21      ASN  53 168.937  10.977  10.351
  397   2HD2  ASN  53          HD22      ASN  53 169.510  12.598  10.189
  398    H    VAL  54           HN       VAL  54 172.502   7.159  12.332
  399    HA   VAL  54           HA       VAL  54 170.888   6.242  14.422
  400    HB   VAL  54           HB       VAL  54 173.403   4.913  13.402
  401   1HG1  VAL  54          1HG1      VAL  54 171.017   3.382  14.252
  402   2HG1  VAL  54          2HG1      VAL  54 171.972   4.147  15.521
  403   3HG1  VAL  54          3HG1      VAL  54 172.730   3.000  14.418
  404   1HG2  VAL  54          1HG2      VAL  54 172.085   5.398  11.487
  405   2HG2  VAL  54          2HG2      VAL  54 170.599   4.915  12.305
  406   3HG2  VAL  54          3HG2      VAL  54 171.805   3.701  11.878
  407    H    SER  55           HN       SER  55 171.217   5.870  16.560
  408    HA   SER  55           HA       SER  55 173.861   6.447  17.691
  409   1HB   SER  55          HB2       SER  55 171.535   7.425  19.251
  410   2HB   SER  55          HB1       SER  55 173.149   8.113  19.079
  411    HG   SER  55           HG       SER  55 170.870   8.514  17.551
  412    H    GLY  56           HN       GLY  56 174.476   4.709  18.783
  413   1HA   GLY  56          HA2       GLY  56 174.090   3.416  20.838
  414   2HA   GLY  56          HA1       GLY  56 172.425   3.226  20.309
  415    H    CYS  57           HN       CYS  57 174.866   2.993  17.887
  416    HA   CYS  57           HA       CYS  57 174.770   0.060  18.008
  417   1HB   CYS  57          HB2       CYS  57 173.891   1.869  15.857
  418   2HB   CYS  57          HB1       CYS  57 174.945   0.569  15.329
  419    H    SER  58           HN       SER  58 176.253   2.472  15.866
  420    HA   SER  58           HA       SER  58 178.397   2.828  15.216
  421   1HB   SER  58          HB2       SER  58 178.378   2.897  17.956
  422   2HB   SER  58          HB1       SER  58 179.651   1.719  17.630
  423    HG   SER  58           HG       SER  58 180.016   4.217  17.632
  424    H    ALA  59           HN       ALA  59 177.129   0.051  14.995
  425    HA   ALA  59           HA       ALA  59 179.466  -1.676  14.956
  426   1HB   ALA  59          HB1       ALA  59 177.545  -3.193  13.849
  427   2HB   ALA  59          HB2       ALA  59 176.544  -2.053  14.747
  428   3HB   ALA  59          HB3       ALA  59 177.757  -3.016  15.591
  429    H    ILE  60           HN       ILE  60 177.392   0.075  12.757
  430    HA   ILE  60           HA       ILE  60 178.501  -1.106  10.385
  431    HB   ILE  60           HB       ILE  60 177.100   0.548   9.236
  432   1HG1  ILE  60          2HG1      ILE  60 175.428   1.631  11.084
  433   2HG1  ILE  60          1HG1      ILE  60 176.958   1.673  11.951
  434   1HG2  ILE  60          1HG2      ILE  60 175.813  -1.287   9.458
  435   2HG2  ILE  60          2HG2      ILE  60 174.899  -0.248  10.551
  436   3HG2  ILE  60          3HG2      ILE  60 176.081  -1.385  11.199
  437   1HD1  ILE  60          HD11      ILE  60 176.536   2.822   9.208
  438   2HD1  ILE  60          HD12      ILE  60 177.969   2.980  10.225
  439   3HD1  ILE  60          HD13      ILE  60 176.455   3.744  10.709
  440    H    GLU  61           HN       GLU  61 179.928   0.855  12.495
  441    HA   GLU  61           HA       GLU  61 180.737   3.179  11.353
  442   1HB   GLU  61          HB2       GLU  61 181.966   1.261  13.219
  443   2HB   GLU  61          HB1       GLU  61 183.091   2.357  12.431
  444   1HG   GLU  61          HG2       GLU  61 181.125   4.066  13.201
  445   2HG   GLU  61          HG1       GLU  61 181.088   2.873  14.498
  446    H    LYS  62           HN       LYS  62 182.010  -0.027  10.639
  447    HA   LYS  62           HA       LYS  62 184.116   0.727   8.962
  448   1HB   LYS  62          HB2       LYS  62 182.933  -1.677   9.791
  449   2HB   LYS  62          HB1       LYS  62 182.838  -1.700   8.036
  450   1HG   LYS  62          HG2       LYS  62 185.300  -1.138   8.022
  451   2HG   LYS  62          HG1       LYS  62 185.290  -1.473   9.754
  452   1HD   LYS  62          HD2       LYS  62 184.341  -3.731   9.221
  453   2HD   LYS  62          HD1       LYS  62 184.614  -3.374   7.514
  454   1HE   LYS  62          HE2       LYS  62 186.439  -4.703   8.458
  455   2HE   LYS  62          HE1       LYS  62 186.997  -3.115   7.933
  456   1HZ   LYS  62          HZ1       LYS  62 187.868  -3.830  10.125
  457   2HZ   LYS  62          HZ2       LYS  62 186.293  -3.772  10.739
  458   3HZ   LYS  62          HZ3       LYS  62 187.033  -2.359  10.176
  459    H    THR  63           HN       THR  63 180.803  -0.239   8.088
  460    HA   THR  63           HA       THR  63 181.029   0.259   5.339
  461    HB   THR  63           HB       THR  63 178.626   0.282   7.173
  462    HG1  THR  63           1HG      THR  63 178.303  -1.772   6.225
  463   1HG2  THR  63          1HG2      THR  63 178.021   1.540   5.204
  464   2HG2  THR  63          2HG2      THR  63 177.248  -0.045   5.177
  465   3HG2  THR  63          3HG2      THR  63 178.659   0.266   4.165
  466    H    GLN  64           HN       GLN  64 180.303   2.363   8.044
  467    HA   GLN  64           HA       GLN  64 179.295   4.570   6.656
  468   1HB   GLN  64          HB2       GLN  64 180.381   4.034   9.314
  469   2HB   GLN  64          HB1       GLN  64 180.722   5.667   8.760
  470   1HG   GLN  64          HG2       GLN  64 178.440   6.184   8.545
  471   2HG   GLN  64          HG1       GLN  64 177.965   4.491   8.666
  472   1HE2  GLN  64          1HE2      GLN  64 176.895   6.559  10.224
  473   2HE2  GLN  64          2HE2      GLN  64 177.329   6.278  11.871
  474    H    ARG  65           HN       ARG  65 182.630   4.108   7.842
  475    HA   ARG  65           HA       ARG  65 183.748   6.290   6.599
  476   1HB   ARG  65          HB2       ARG  65 185.052   3.651   7.255
  477   2HB   ARG  65          HB1       ARG  65 185.913   5.138   6.883
  478   1HG   ARG  65          HG2       ARG  65 184.927   6.199   8.855
  479   2HG   ARG  65          HG1       ARG  65 184.079   4.698   9.231
  480   1HD   ARG  65          HD2       ARG  65 186.209   5.080  10.510
  481   2HD   ARG  65          HD1       ARG  65 186.114   3.549   9.641
  482    HE   ARG  65           HE       ARG  65 187.910   4.206   8.400
  483   1HH1  ARG  65          HH11      ARG  65 186.462   7.045   9.822
  484   2HH1  ARG  65          HH12      ARG  65 187.705   8.113   9.263
  485   1HH2  ARG  65          HH21      ARG  65 189.546   5.609   7.664
  486   2HH2  ARG  65          HH22      ARG  65 189.457   7.298   8.038
  487    H    MET  66           HN       MET  66 183.748   2.909   5.465
  488    HA   MET  66           HA       MET  66 185.068   3.315   3.063
  489   1HB   MET  66          HB2       MET  66 184.475   1.161   2.516
  490   2HB   MET  66          HB1       MET  66 184.244   1.131   4.255
  491   1HG   MET  66          HG2       MET  66 182.266   0.234   3.762
  492   2HG   MET  66          HG1       MET  66 181.780   1.890   3.414
  493   1HE   MET  66          HE1       MET  66 183.478  -1.230   1.974
  494   2HE   MET  66          HE2       MET  66 184.326  -0.062   0.962
  495   3HE   MET  66          HE3       MET  66 183.145  -1.156   0.244
  496    H    LEU  67           HN       LEU  67 181.736   3.929   3.907
  497    HA   LEU  67           HA       LEU  67 180.828   4.318   1.223
  498   1HB   LEU  67          HB2       LEU  67 179.709   4.845   3.949
  499   2HB   LEU  67          HB1       LEU  67 178.929   5.535   2.541
  500    HG   LEU  67           HG       LEU  67 179.420   2.584   2.930
  501   1HD1  LEU  67          HD11      LEU  67 177.074   2.396   3.458
  502   2HD1  LEU  67          HD12      LEU  67 176.859   4.136   3.269
  503   3HD1  LEU  67          HD13      LEU  67 177.845   3.508   4.589
  504   1HD2  LEU  67          HD21      LEU  67 177.758   4.095   0.917
  505   2HD2  LEU  67          HD22      LEU  67 177.847   2.340   1.072
  506   3HD2  LEU  67          HD23      LEU  67 179.276   3.257   0.593
  507    H    SER  68           HN       SER  68 182.057   6.366   3.802
  508    HA   SER  68           HA       SER  68 181.445   8.863   2.680
  509   1HB   SER  68          HB2       SER  68 182.104   8.890   4.945
  510   2HB   SER  68          HB1       SER  68 183.557   7.947   4.619
  511    HG   SER  68           HG       SER  68 183.073  10.669   4.255
  512    H    GLY  69           HN       GLY  69 184.260   6.777   2.353
  513   1HA   GLY  69          HA2       GLY  69 185.968   8.386   0.949
  514   2HA   GLY  69          HA1       GLY  69 185.863   6.652   0.726
  515    H    PHE  70           HN       PHE  70 182.987   7.018  -0.179
  516    HA   PHE  70           HA       PHE  70 183.639   7.875  -2.920
  517   1HB   PHE  70          HB2       PHE  70 181.799   5.738  -1.874
  518   2HB   PHE  70          HB1       PHE  70 181.626   6.378  -3.505
  519    HD1  PHE  70           HD1      PHE  70 183.931   6.461  -4.851
  520    HD2  PHE  70           HD2      PHE  70 183.055   3.844  -1.611
  521    HE1  PHE  70           HE1      PHE  70 185.662   4.904  -5.646
  522    HE2  PHE  70           HE2      PHE  70 184.786   2.283  -2.400
  523    HZ   PHE  70           HZ       PHE  70 186.092   2.812  -4.419
  524    H    CYS  71           HN       CYS  71 181.483   8.334  -0.243
  525    HA   CYS  71           HA       CYS  71 179.228   9.394  -1.378
  526   1HB   CYS  71          HB2       CYS  71 178.969   9.357   0.879
  527   2HB   CYS  71          HB1       CYS  71 180.650   9.765   1.182
  528    HA   PRO  72           HA       PRO  72 181.032  12.906  -3.538
  529   1HB   PRO  72          HB2       PRO  72 178.882  13.535  -5.016
  530   2HB   PRO  72          HB1       PRO  72 179.870  12.113  -5.373
  531   1HG   PRO  72          HG2       PRO  72 177.253  12.286  -3.930
  532   2HG   PRO  72          HG1       PRO  72 177.783  11.111  -5.147
  533   1HD   PRO  72          HD2       PRO  72 177.808  10.624  -2.453
  534   2HD   PRO  72          HD1       PRO  72 178.906   9.840  -3.606
  535    H    HIS  73           HN       HIS  73 178.041  12.889  -1.711
  536    HA   HIS  73           HA       HIS  73 177.975  15.798  -1.563
  537   1HB   HIS  73          HB2       HIS  73 175.978  13.959  -1.662
  538   2HB   HIS  73          HB1       HIS  73 176.087  14.221   0.075
  539    HD1  HIS  73           HD1      HIS  73 173.897  15.495   0.289
  540    HD2  HIS  73           HD2      HIS  73 176.517  17.182  -2.460
  541    HE1  HIS  73           HE1      HIS  73 172.915  17.738  -0.286
  542    HE2  HIS  73           HE2      HIS  73 174.562  18.775  -1.886
  543    H    LYS  74           HN       LYS  74 176.835  15.946   1.075
  544    HA   LYS  74           HA       LYS  74 179.292  15.594   2.644
  545   1HB   LYS  74          HB2       LYS  74 177.046  17.555   2.714
  546   2HB   LYS  74          HB1       LYS  74 177.872  17.189   4.222
  547   1HG   LYS  74          HG2       LYS  74 178.792  19.166   3.111
  548   2HG   LYS  74          HG1       LYS  74 179.986  17.877   3.273
  549   1HD   LYS  74          HD2       LYS  74 178.457  17.782   0.778
  550   2HD   LYS  74          HD1       LYS  74 179.434  19.239   0.967
  551   1HE   LYS  74          HE2       LYS  74 181.419  18.062   1.017
  552   2HE   LYS  74          HE1       LYS  74 180.641  16.570   1.543
  553   1HZ   LYS  74          HZ1       LYS  74 180.928  16.014  -0.601
  554   2HZ   LYS  74          HZ2       LYS  74 181.020  17.616  -1.136
  555   3HZ   LYS  74          HZ3       LYS  74 179.512  16.909  -0.843
  556    H    VAL  75           HN       VAL  75 178.892  15.210   5.044
  557    HA   VAL  75           HA       VAL  75 176.513  13.666   5.650
  558    HB   VAL  75           HB       VAL  75 179.253  12.403   5.841
  559   1HG1  VAL  75          1HG1      VAL  75 178.396  10.838   7.182
  560   2HG1  VAL  75          2HG1      VAL  75 176.944  10.676   6.196
  561   3HG1  VAL  75          3HG1      VAL  75 177.037  11.935   7.425
  562   1HG2  VAL  75          1HG2      VAL  75 178.477  12.451   3.547
  563   2HG2  VAL  75          2HG2      VAL  75 176.921  11.778   4.033
  564   3HG2  VAL  75          3HG2      VAL  75 178.386  10.807   4.177
  565    H    SER  76           HN       SER  76 176.136  15.254   7.230
  566    HA   SER  76           HA       SER  76 177.435  14.844   9.659
  567   1HB   SER  76          HB2       SER  76 177.301  17.563   9.626
  568   2HB   SER  76          HB1       SER  76 178.699  16.535   9.500
  569    HG   SER  76           HG       SER  76 177.726  18.202   7.668
  570    H    ALA  77           HN       ALA  77 175.990  14.497  10.806
  571    HA   ALA  77           HA       ALA  77 173.874  14.227  11.737
  572   1HB   ALA  77          HB1       ALA  77 173.581  17.131  12.039
  573   2HB   ALA  77          HB2       ALA  77 175.128  16.476  12.576
  574   3HB   ALA  77          HB3       ALA  77 173.624  15.856  13.257
  575    H    GLY  78           HN       GLY  78 172.457  13.515  10.183
  576   1HA   GLY  78          HA2       GLY  78 171.417  14.909   8.035
  577   2HA   GLY  78          HA1       GLY  78 170.579  13.607   8.862
  578    H    GLN  79           HN       GLN  79 170.614  15.241  11.396
  579    HA   GLN  79           HA       GLN  79 168.177  16.721  10.810
  580   1HB   GLN  79          HB2       GLN  79 168.192  15.175  12.714
  581   2HB   GLN  79          HB1       GLN  79 169.509  16.079  13.448
  582   1HG   GLN  79          HG2       GLN  79 167.609  18.009  13.029
  583   2HG   GLN  79          HG1       GLN  79 166.647  16.598  13.459
  584   1HE2  GLN  79          1HE2      GLN  79 168.499  15.375  15.173
  585   2HE2  GLN  79          2HE2      GLN  79 168.632  16.335  16.603
  586    H    PHE  80           HN       PHE  80 169.585  18.295   9.579
  587    HA   PHE  80           HA       PHE  80 170.736  20.300  11.403
  588   1HB   PHE  80          HB2       PHE  80 171.792  21.127   9.150
  589   2HB   PHE  80          HB1       PHE  80 172.501  19.763  10.006
  590    HD1  PHE  80           HD1      PHE  80 173.375  18.300   8.469
  591    HD2  PHE  80           HD2      PHE  80 169.559  20.031   7.725
  592    HE1  PHE  80           HE1      PHE  80 173.142  16.911   6.452
  593    HE2  PHE  80           HE2      PHE  80 169.319  18.645   5.708
  594    HZ   PHE  80           HZ       PHE  80 171.111  17.082   5.069
  595    H    SER  81           HN       SER  81 168.119  20.474  11.385
  596    HA   SER  81           HA       SER  81 166.415  21.958  11.103
  597   1HB   SER  81          HB2       SER  81 167.968  23.738   9.290
  598   2HB   SER  81          HB1       SER  81 166.919  24.149  10.647
  599    HG   SER  81           HG       SER  81 169.596  23.827  10.598
  600    H    SER  82           HN       SER  82 168.195  22.203   8.020
  601    HA   SER  82           HA       SER  82 165.920  22.199   6.395
  602   1HB   SER  82          HB2       SER  82 168.531  22.641   5.926
  603   2HB   SER  82          HB1       SER  82 168.402  21.003   5.286
  604    HG   SER  82           HG       SER  82 167.931  22.445   3.646
  605    H    LEU  83           HN       LEU  83 165.248  20.528   4.851
  606    HA   LEU  83           HA       LEU  83 165.770  17.781   5.712
  607   1HB   LEU  83          HB2       LEU  83 162.954  18.670   5.179
  608   2HB   LEU  83          HB1       LEU  83 163.509  17.205   5.966
  609    HG   LEU  83           HG       LEU  83 164.005  19.878   7.230
  610   1HD1  LEU  83          HD11      LEU  83 161.723  20.098   7.032
  611   2HD1  LEU  83          HD12      LEU  83 161.860  19.232   8.562
  612   3HD1  LEU  83          HD13      LEU  83 161.442  18.358   7.089
  613   1HD2  LEU  83          HD21      LEU  83 163.550  18.194   9.235
  614   2HD2  LEU  83          HD22      LEU  83 165.136  18.353   8.479
  615   3HD2  LEU  83          HD23      LEU  83 164.071  17.023   8.024
  616    H    HIS  84           HN       HIS  84 164.010  16.446   4.117
  617    HA   HIS  84           HA       HIS  84 163.927  17.419   1.449
  618   1HB   HIS  84          HB2       HIS  84 166.231  15.742   2.290
  619   2HB   HIS  84          HB1       HIS  84 165.490  15.367   0.737
  620    HD1  HIS  84           HD1      HIS  84 168.384  16.713   1.372
  621    HD2  HIS  84           HD2      HIS  84 164.983  18.563  -0.136
  622    HE1  HIS  84           HE1      HIS  84 169.212  18.748   0.148
  623    HE2  HIS  84           HE2      HIS  84 167.144  19.806  -0.826
  624    H    VAL  85           HN       VAL  85 164.016  14.574   3.519
  625    HA   VAL  85           HA       VAL  85 162.895  12.578   3.440
  626    HB   VAL  85           HB       VAL  85 161.223  13.932   4.484
  627   1HG1  VAL  85          1HG1      VAL  85 159.467  15.082   3.132
  628   2HG1  VAL  85          2HG1      VAL  85 160.449  14.780   1.700
  629   3HG1  VAL  85          3HG1      VAL  85 161.075  15.792   3.001
  630   1HG2  VAL  85          1HG2      VAL  85 159.654  12.492   2.380
  631   2HG2  VAL  85          2HG2      VAL  85 159.345  12.622   4.111
  632   3HG2  VAL  85          3HG2      VAL  85 160.657  11.600   3.524
  633    H    ARG  86           HN       ARG  86 164.056  11.933   1.466
  634    HA   ARG  86           HA       ARG  86 163.198  12.261  -1.130
  635   1HB   ARG  86          HB2       ARG  86 164.177   9.885  -1.462
  636   2HB   ARG  86          HB1       ARG  86 165.242  11.175  -0.926
  637   1HG   ARG  86          HG2       ARG  86 164.135   9.957   1.381
  638   2HG   ARG  86          HG1       ARG  86 164.706   8.678   0.310
  639   1HD   ARG  86          HD2       ARG  86 166.699   9.069   1.260
  640   2HD   ARG  86          HD1       ARG  86 166.762  10.448   0.165
  641    HE   ARG  86           HE       ARG  86 166.200  10.511   3.031
  642   1HH1  ARG  86          HH11      ARG  86 166.557  12.264   0.027
  643   2HH1  ARG  86          HH12      ARG  86 166.721  13.800   0.805
  644   1HH2  ARG  86          HH21      ARG  86 166.415  12.532   4.045
  645   2HH2  ARG  86          HH22      ARG  86 166.641  13.954   3.081
  646    H    ASP  87           HN       ASP  87 161.904  10.153   1.349
  647    HA   ASP  87           HA       ASP  87 159.435   9.873   0.000
  648   1HB   ASP  87          HB2       ASP  87 161.453   7.737  -0.370
  649   2HB   ASP  87          HB1       ASP  87 159.823   7.201   0.026
  650    H    THR  88           HN       THR  88 160.735   7.158   1.799
  651    HA   THR  88           HA       THR  88 159.549   8.141   4.277
  652    HB   THR  88           HB       THR  88 158.745   5.445   4.115
  653    HG1  THR  88           1HG      THR  88 158.795   5.399   1.929
  654   1HG2  THR  88          1HG2      THR  88 157.000   7.850   3.677
  655   2HG2  THR  88          2HG2      THR  88 157.564   7.309   5.258
  656   3HG2  THR  88          3HG2      THR  88 156.522   6.267   4.288
  657    H    LYS  89           HN       LYS  89 160.363   7.176   6.150
  658    HA   LYS  89           HA       LYS  89 162.997   6.079   5.899
  659   1HB   LYS  89          HB2       LYS  89 161.323   7.175   8.013
  660   2HB   LYS  89          HB1       LYS  89 162.216   5.760   8.554
  661   1HG   LYS  89          HG2       LYS  89 164.138   6.875   8.626
  662   2HG   LYS  89          HG1       LYS  89 163.872   7.605   7.042
  663   1HD   LYS  89          HD2       LYS  89 162.422   9.286   8.046
  664   2HD   LYS  89          HD1       LYS  89 162.636   8.541   9.631
  665   1HE   LYS  89          HE2       LYS  89 164.903   9.160   9.734
  666   2HE   LYS  89          HE1       LYS  89 164.964   9.530   8.012
  667   1HZ   LYS  89          HZ1       LYS  89 164.158  11.189  10.211
  668   2HZ   LYS  89          HZ2       LYS  89 163.039  11.197   8.943
  669   3HZ   LYS  89          HZ3       LYS  89 164.648  11.626   8.651
  670    H    ILE  90           HN       ILE  90 163.719   4.025   6.547
  671    HA   ILE  90           HA       ILE  90 161.600   1.995   6.818
  672    HB   ILE  90           HB       ILE  90 162.925   0.423   5.531
  673   1HG1  ILE  90          2HG1      ILE  90 164.855   2.714   5.095
  674   2HG1  ILE  90          1HG1      ILE  90 165.160   1.305   6.107
  675   1HG2  ILE  90          1HG2      ILE  90 161.458   2.448   4.521
  676   2HG2  ILE  90          2HG2      ILE  90 162.159   1.157   3.545
  677   3HG2  ILE  90          3HG2      ILE  90 162.986   2.709   3.680
  678   1HD1  ILE  90          HD11      ILE  90 165.944   1.527   3.544
  679   2HD1  ILE  90          HD12      ILE  90 164.391   0.719   3.334
  680   3HD1  ILE  90          HD13      ILE  90 165.633  -0.009   4.352
  681    H    GLU  91           HN       GLU  91 162.350  -0.045   7.820
  682    HA   GLU  91           HA       GLU  91 163.528   0.427  10.313
  683   1HB   GLU  91          HB2       GLU  91 162.721  -1.989   8.776
  684   2HB   GLU  91          HB1       GLU  91 163.790  -2.223  10.152
  685   1HG   GLU  91          HG2       GLU  91 161.891  -0.586  11.207
  686   2HG   GLU  91          HG1       GLU  91 160.948  -1.544  10.066
  687    H    VAL  92           HN       VAL  92 165.548   0.193  11.113
  688    HA   VAL  92           HA       VAL  92 167.768   0.540   9.506
  689    HB   VAL  92           HB       VAL  92 168.918  -0.634  11.672
  690   1HG1  VAL  92          1HG1      VAL  92 168.600   1.837  12.638
  691   2HG1  VAL  92          2HG1      VAL  92 168.081   2.109  10.974
  692   3HG1  VAL  92          3HG1      VAL  92 169.687   1.457  11.302
  693   1HG2  VAL  92          1HG2      VAL  92 167.681  -0.202  13.654
  694   2HG2  VAL  92          2HG2      VAL  92 166.631  -1.132  12.585
  695   3HG2  VAL  92          3HG2      VAL  92 166.400   0.608  12.752
  696    H    ALA  93           HN       ALA  93 166.356  -2.463  10.712
  697    HA   ALA  93           HA       ALA  93 168.440  -4.197   9.959
  698   1HB   ALA  93          HB1       ALA  93 165.644  -5.168   9.755
  699   2HB   ALA  93          HB2       ALA  93 166.182  -4.563  11.322
  700   3HB   ALA  93          HB3       ALA  93 167.042  -5.894  10.548
  701    H    GLN  94           HN       GLN  94 165.346  -3.605   8.284
  702    HA   GLN  94           HA       GLN  94 166.023  -4.907   5.903
  703   1HB   GLN  94          HB2       GLN  94 163.811  -3.507   6.903
  704   2HB   GLN  94          HB1       GLN  94 164.275  -2.638   5.448
  705   1HG   GLN  94          HG2       GLN  94 163.981  -5.611   5.418
  706   2HG   GLN  94          HG1       GLN  94 162.572  -4.560   5.280
  707   1HE2  GLN  94          1HE2      GLN  94 165.846  -4.812   3.923
  708   2HE2  GLN  94          2HE2      GLN  94 165.377  -4.503   2.290
  709    H    PHE  95           HN       PHE  95 166.803  -1.761   7.125
  710    HA   PHE  95           HA       PHE  95 167.517  -0.493   4.716
  711   1HB   PHE  95          HB2       PHE  95 167.155   0.637   6.930
  712   2HB   PHE  95          HB1       PHE  95 168.713  -0.004   7.444
  713    HD1  PHE  95           HD1      PHE  95 170.728   1.043   6.817
  714    HD2  PHE  95           HD2      PHE  95 167.059   2.224   5.023
  715    HE1  PHE  95           HE1      PHE  95 171.852   2.987   5.809
  716    HE2  PHE  95           HE2      PHE  95 168.169   4.162   4.014
  717    HZ   PHE  95           HZ       PHE  95 170.567   4.553   4.405
  718    H    VAL  96           HN       VAL  96 169.527  -2.025   7.181
  719    HA   VAL  96           HA       VAL  96 171.979  -1.852   5.889
  720    HB   VAL  96           HB       VAL  96 171.066  -4.115   7.674
  721   1HG1  VAL  96          1HG1      VAL  96 173.259  -4.700   7.969
  722   2HG1  VAL  96          2HG1      VAL  96 173.857  -3.087   7.580
  723   3HG1  VAL  96          3HG1      VAL  96 173.301  -4.157   6.293
  724   1HG2  VAL  96          1HG2      VAL  96 172.577  -2.340   9.182
  725   2HG2  VAL  96          2HG2      VAL  96 170.831  -2.567   9.260
  726   3HG2  VAL  96          3HG2      VAL  96 171.510  -1.307   8.231
  727    H    LYS  97           HN       LYS  97 169.636  -4.530   5.865
  728    HA   LYS  97           HA       LYS  97 170.995  -6.229   4.130
  729   1HB   LYS  97          HB2       LYS  97 168.002  -5.873   4.325
  730   2HB   LYS  97          HB1       LYS  97 168.846  -7.299   3.747
  731   1HG   LYS  97          HG2       LYS  97 169.693  -7.783   5.902
  732   2HG   LYS  97          HG1       LYS  97 169.117  -6.241   6.536
  733   1HD   LYS  97          HD2       LYS  97 167.773  -8.439   6.934
  734   2HD   LYS  97          HD1       LYS  97 166.934  -6.927   6.607
  735   1HE   LYS  97          HE2       LYS  97 167.667  -8.743   4.349
  736   2HE   LYS  97          HE1       LYS  97 166.272  -9.133   5.354
  737   1HZ   LYS  97          HZ1       LYS  97 166.627  -6.988   3.427
  738   2HZ   LYS  97          HZ2       LYS  97 165.801  -6.571   4.843
  739   3HZ   LYS  97          HZ3       LYS  97 165.226  -7.828   3.870
  740    H    ASP  98           HN       ASP  98 168.838  -3.508   3.420
  741    HA   ASP  98           HA       ASP  98 168.658  -3.944   0.667
  742   1HB   ASP  98          HB2       ASP  98 168.069  -1.702   2.475
  743   2HB   ASP  98          HB1       ASP  98 168.354  -1.270   0.791
  744    H    LEU  99           HN       LEU  99 170.876  -2.288   2.603
  745    HA   LEU  99           HA       LEU  99 172.407  -1.033   0.610
  746   1HB   LEU  99          HB2       LEU  99 172.998  -0.172   2.588
  747   2HB   LEU  99          HB1       LEU  99 172.337  -1.577   3.416
  748    HG   LEU  99           HG       LEU  99 174.643  -2.667   2.695
  749   1HD1  LEU  99          HD11      LEU  99 175.039  -0.223   1.597
  750   2HD1  LEU  99          HD12      LEU  99 176.334  -1.299   2.121
  751   3HD1  LEU  99          HD13      LEU  99 175.781  -0.004   3.182
  752   1HD2  LEU  99          HD21      LEU  99 174.163  -0.773   4.978
  753   2HD2  LEU  99          HD22      LEU  99 175.618  -1.761   4.844
  754   3HD2  LEU  99          HD23      LEU  99 174.037  -2.533   4.971
  755    H    LEU 100           HN       LEU 100 172.504  -4.213   2.148
  756    HA   LEU 100           HA       LEU 100 174.918  -5.129   1.043
  757   1HB   LEU 100          HB2       LEU 100 174.077  -6.397   2.818
  758   2HB   LEU 100          HB1       LEU 100 172.470  -6.473   2.131
  759    HG   LEU 100           HG       LEU 100 173.849  -8.622   2.175
  760   1HD1  LEU 100          HD11      LEU 100 172.611  -9.450   0.468
  761   2HD1  LEU 100          HD12      LEU 100 172.989  -8.107  -0.611
  762   3HD1  LEU 100          HD13      LEU 100 171.796  -7.899   0.671
  763   1HD2  LEU 100          HD21      LEU 100 175.130  -8.639  -0.190
  764   2HD2  LEU 100          HD22      LEU 100 175.926  -8.333   1.352
  765   3HD2  LEU 100          HD23      LEU 100 175.455  -6.984   0.322
  766    H    LEU 101           HN       LEU 101 171.570  -5.779  -0.016
  767    HA   LEU 101           HA       LEU 101 172.126  -7.157  -2.346
  768   1HB   LEU 101          HB2       LEU 101 169.968  -5.818  -3.182
  769   2HB   LEU 101          HB1       LEU 101 169.896  -7.152  -2.079
  770    HG   LEU 101           HG       LEU 101 170.189  -4.851  -0.485
  771   1HD1  LEU 101          HD11      LEU 101 168.690  -3.283  -1.212
  772   2HD1  LEU 101          HD12      LEU 101 167.762  -4.455  -2.150
  773   3HD1  LEU 101          HD13      LEU 101 169.299  -3.852  -2.767
  774   1HD2  LEU 101          HD21      LEU 101 168.113  -6.914  -1.015
  775   2HD2  LEU 101          HD22      LEU 101 167.683  -5.506  -0.043
  776   3HD2  LEU 101          HD23      LEU 101 169.001  -6.561   0.468
  777    H    HIS 102           HN       HIS 102 171.172  -3.792  -2.260
  778    HA   HIS 102           HA       HIS 102 171.794  -3.092  -4.835
  779   1HB   HIS 102          HB2       HIS 102 171.693  -1.541  -2.277
  780   2HB   HIS 102          HB1       HIS 102 172.126  -0.749  -3.781
  781    HD2  HIS 102           HD2      HIS 102 169.084  -1.401  -1.786
  782    HE1  HIS 102           HE1      HIS 102 167.761  -1.149  -5.797
  783    HE2  HIS 102           HE2      HIS 102 167.066  -0.996  -3.364
  784    H    LEU 103           HN       LEU 103 173.943  -2.082  -2.122
  785    HA   LEU 103           HA       LEU 103 176.026  -1.172  -3.557
  786   1HB   LEU 103          HB2       LEU 103 175.932  -2.659  -0.960
  787   2HB   LEU 103          HB1       LEU 103 177.428  -2.022  -1.597
  788    HG   LEU 103           HG       LEU 103 176.272  -0.565   0.085
  789   1HD1  LEU 103          HD11      LEU 103 176.791   1.467  -1.083
  790   2HD1  LEU 103          HD12      LEU 103 176.642   0.642  -2.635
  791   3HD1  LEU 103          HD13      LEU 103 177.961   0.228  -1.539
  792   1HD2  LEU 103          HD21      LEU 103 173.969  -0.843  -0.595
  793   2HD2  LEU 103          HD22      LEU 103 174.328  -0.151  -2.175
  794   3HD2  LEU 103          HD23      LEU 103 174.434   0.849  -0.730
  795    H    LYS 104           HN       LYS 104 175.659  -4.596  -2.554
  796    HA   LYS 104           HA       LYS 104 178.016  -5.481  -3.798
  797   1HB   LYS 104          HB2       LYS 104 177.395  -7.571  -3.142
  798   2HB   LYS 104          HB1       LYS 104 176.262  -6.663  -2.155
  799   1HG   LYS 104          HG2       LYS 104 174.735  -6.949  -4.302
  800   2HG   LYS 104          HG1       LYS 104 175.778  -8.350  -4.544
  801   1HD   LYS 104          HD2       LYS 104 174.500  -7.838  -1.886
  802   2HD   LYS 104          HD1       LYS 104 173.594  -8.624  -3.180
  803   1HE   LYS 104          HE2       LYS 104 176.207  -9.559  -1.998
  804   2HE   LYS 104          HE1       LYS 104 174.622 -10.281  -1.728
  805   1HZ   LYS 104          HZ1       LYS 104 175.498 -11.612  -3.364
  806   2HZ   LYS 104          HZ2       LYS 104 176.298 -10.343  -4.144
  807   3HZ   LYS 104          HZ3       LYS 104 174.621 -10.501  -4.291
  808    H    LYS 105           HN       LYS 105 174.794  -4.907  -5.008
  809    HA   LYS 105           HA       LYS 105 175.083  -6.233  -7.496
  810   1HB   LYS 105          HB2       LYS 105 173.118  -4.575  -6.147
  811   2HB   LYS 105          HB1       LYS 105 173.227  -4.174  -7.854
  812   1HG   LYS 105          HG2       LYS 105 172.322  -6.130  -8.507
  813   2HG   LYS 105          HG1       LYS 105 173.115  -7.045  -7.223
  814   1HD   LYS 105          HD2       LYS 105 171.470  -5.803  -5.655
  815   2HD   LYS 105          HD1       LYS 105 170.559  -5.486  -7.133
  816   1HE   LYS 105          HE2       LYS 105 169.825  -7.521  -5.895
  817   2HE   LYS 105          HE1       LYS 105 170.312  -7.825  -7.562
  818   1HZ   LYS 105          HZ1       LYS 105 171.153  -9.353  -5.661
  819   2HZ   LYS 105          HZ2       LYS 105 172.289  -8.125  -5.410
  820   3HZ   LYS 105          HZ3       LYS 105 172.207  -8.907  -6.907
  821    H    LEU 106           HN       LEU 106 176.000  -3.100  -6.311
  822    HA   LEU 106           HA       LEU 106 176.466  -1.983  -8.926
  823   1HB   LEU 106          HB2       LEU 106 176.465  -1.036  -6.176
  824   2HB   LEU 106          HB1       LEU 106 177.810  -0.393  -7.098
  825    HG   LEU 106           HG       LEU 106 175.133  -0.247  -8.367
  826   1HD1  LEU 106          HD11      LEU 106 174.677   0.382  -6.033
  827   2HD1  LEU 106          HD12      LEU 106 174.514   1.744  -7.141
  828   3HD1  LEU 106          HD13      LEU 106 175.950   1.598  -6.128
  829   1HD2  LEU 106          HD21      LEU 106 177.566   1.517  -8.201
  830   2HD2  LEU 106          HD22      LEU 106 176.067   2.002  -8.992
  831   3HD2  LEU 106          HD23      LEU 106 176.973   0.615  -9.596
  832    H    PHE 107           HN       PHE 107 178.504  -2.868  -6.180
  833    HA   PHE 107           HA       PHE 107 180.966  -2.515  -7.470
  834   1HB   PHE 107          HB2       PHE 107 180.158  -3.229  -4.920
  835   2HB   PHE 107          HB1       PHE 107 180.968  -4.680  -5.501
  836    HD1  PHE 107           HD1      PHE 107 181.390  -1.445  -4.097
  837    HD2  PHE 107           HD2      PHE 107 183.318  -4.396  -6.482
  838    HE1  PHE 107           HE1      PHE 107 183.570  -0.422  -3.593
  839    HE2  PHE 107           HE2      PHE 107 185.502  -3.379  -5.981
  840    HZ   PHE 107           HZ       PHE 107 185.629  -1.389  -4.535
  841    H    ARG 108           HN       ARG 108 178.632  -5.086  -7.574
  842    HA   ARG 108           HA       ARG 108 180.480  -6.956  -8.814
  843   1HB   ARG 108          HB2       ARG 108 177.539  -7.082  -8.165
  844   2HB   ARG 108          HB1       ARG 108 178.357  -8.344  -9.073
  845   1HG   ARG 108          HG2       ARG 108 179.564  -7.538  -6.493
  846   2HG   ARG 108          HG1       ARG 108 178.050  -8.443  -6.438
  847   1HD   ARG 108          HD2       ARG 108 180.546  -9.291  -7.905
  848   2HD   ARG 108          HD1       ARG 108 180.023  -9.910  -6.339
  849    HE   ARG 108           HE       ARG 108 178.986 -10.625  -8.924
  850   1HH1  ARG 108          HH11      ARG 108 178.304 -10.483  -5.504
  851   2HH1  ARG 108          HH12      ARG 108 177.098 -11.724  -5.567
  852   1HH2  ARG 108          HH21      ARG 108 177.400 -12.256  -9.008
  853   2HH2  ARG 108          HH22      ARG 108 176.585 -12.731  -7.555
  854    H    GLU 109           HN       GLU 109 177.786  -4.880  -9.762
  855    HA   GLU 109           HA       GLU 109 177.570  -5.801 -12.423
  856   1HB   GLU 109          HB2       GLU 109 176.671  -3.374 -10.939
  857   2HB   GLU 109          HB1       GLU 109 176.620  -3.343 -12.696
  858   1HG   GLU 109          HG2       GLU 109 175.474  -5.766 -11.564
  859   2HG   GLU 109          HG1       GLU 109 174.656  -4.295 -11.039
  860    H    GLY 110           HN       GLY 110 179.741  -3.574 -10.863
  861   1HA   GLY 110          HA2       GLY 110 181.839  -2.979 -11.772
  862   2HA   GLY 110          HA1       GLY 110 181.219  -3.333 -13.377
  863    H    ARG 111           HN       ARG 111 178.984  -1.509 -11.653
  864    HA   ARG 111           HA       ARG 111 179.919   0.937 -12.983
  865   1HB   ARG 111          HB2       ARG 111 177.236  -0.250 -12.537
  866   2HB   ARG 111          HB1       ARG 111 177.348   1.500 -12.428
  867   1HG   ARG 111          HG2       ARG 111 178.083   1.696 -14.657
  868   2HG   ARG 111          HG1       ARG 111 178.406  -0.035 -14.778
  869   1HD   ARG 111          HD2       ARG 111 176.387  -0.191 -15.719
  870   2HD   ARG 111          HD1       ARG 111 175.744   0.048 -14.095
  871    HE   ARG 111           HE       ARG 111 175.039   2.130 -14.722
  872   1HH1  ARG 111          HH11      ARG 111 177.379   0.994 -17.048
  873   2HH1  ARG 111          HH12      ARG 111 177.123   2.315 -18.138
  874   1HH2  ARG 111          HH21      ARG 111 174.701   3.868 -16.155
  875   2HH2  ARG 111          HH22      ARG 111 175.603   3.947 -17.631
  876    H    PHE 112           HN       PHE 112 181.060   0.280 -10.605
  877    HA   PHE 112           HA       PHE 112 179.745   1.659  -8.442
  878   1HB   PHE 112          HB2       PHE 112 181.273   0.632  -7.112
  879   2HB   PHE 112          HB1       PHE 112 181.498  -0.384  -8.525
  880    HD1  PHE 112           HD1      PHE 112 183.544  -0.475  -9.649
  881    HD2  PHE 112           HD2      PHE 112 182.860   2.529  -6.718
  882    HE1  PHE 112           HE1      PHE 112 185.932   0.125  -9.715
  883    HE2  PHE 112           HE2      PHE 112 185.247   3.138  -6.775
  884    HZ   PHE 112           HZ       PHE 112 186.785   1.934  -8.277
  885    H    ASN 113           HN       ASN 113 182.301   2.228 -10.748
  886    HA   ASN 113           HA       ASN 113 183.322   4.605  -9.586
  887   1HB   ASN 113          HB2       ASN 113 184.355   4.976 -11.821
  888   2HB   ASN 113          HB1       ASN 113 184.654   3.363 -11.181
  889   1HD2  ASN 113          HD21      ASN 113 184.682   1.979 -12.790
  890   2HD2  ASN 113          HD22      ASN 113 183.557   1.916 -14.100
  Start of MODEL   13
    1   1H    GLY   1          HT1       GLY   1 176.308  10.965  15.484
    2   2H    GLY   1          HT2       GLY   1 175.834   9.621  14.573
    3   3H    GLY   1          HT3       GLY   1 177.474   9.899  14.878
    4   1HA   GLY   1          HA1       GLY   1 175.976   8.202  16.285
    5   2HA   GLY   1          HA2       GLY   1 177.417   8.990  16.907
    6    H    GLY   2           HN       GLY   2 173.964   9.766  16.426
    7   1HA   GLY   2          HA2       GLY   2 173.395  10.091  19.155
    8   2HA   GLY   2          HA1       GLY   2 173.821  11.663  18.495
    9    HA   PRO   3           HA       PRO   3 169.188  10.432  17.930
   10   1HB   PRO   3          HB2       PRO   3 168.964  13.021  19.387
   11   2HB   PRO   3          HB1       PRO   3 167.980  11.560  19.530
   12   1HG   PRO   3          HG2       PRO   3 169.777  12.171  21.395
   13   2HG   PRO   3          HG1       PRO   3 169.528  10.490  20.887
   14   1HD   PRO   3          HD2       PRO   3 171.745  12.370  20.206
   15   2HD   PRO   3          HD1       PRO   3 171.796  10.618  20.487
   16    H    VAL   4           HN       VAL   4 167.514  12.273  17.169
   17    HA   VAL   4           HA       VAL   4 166.924  13.545  15.373
   18    HB   VAL   4           HB       VAL   4 169.401  15.068  16.182
   19   1HG1  VAL   4          1HG1      VAL   4 168.697  15.761  13.989
   20   2HG1  VAL   4          2HG1      VAL   4 168.233  17.005  15.150
   21   3HG1  VAL   4          3HG1      VAL   4 167.021  15.889  14.523
   22   1HG2  VAL   4          1HG2      VAL   4 167.296  14.566  17.776
   23   2HG2  VAL   4          2HG2      VAL   4 166.715  16.012  16.950
   24   3HG2  VAL   4          3HG2      VAL   4 168.235  16.058  17.843
   25    HA   PRO   5           HA       PRO   5 169.771  11.472  12.412
   26   1HB   PRO   5          HB2       PRO   5 167.816  10.791  10.654
   27   2HB   PRO   5          HB1       PRO   5 168.214   9.818  12.075
   28   1HG   PRO   5          HG2       PRO   5 166.002  11.800  11.696
   29   2HG   PRO   5          HG1       PRO   5 165.953  10.201  12.462
   30   1HD   PRO   5          HD2       PRO   5 166.088  12.491  13.894
   31   2HD   PRO   5          HD1       PRO   5 166.847  10.982  14.440
   32    HA   PRO   6           HA       PRO   6 169.716  15.425  10.156
   33   1HB   PRO   6          HB2       PRO   6 172.229  15.178   9.151
   34   2HB   PRO   6          HB1       PRO   6 171.900  15.744  10.793
   35   1HG   PRO   6          HG2       PRO   6 172.707  13.018   9.854
   36   2HG   PRO   6          HG1       PRO   6 173.291  13.938  11.254
   37   1HD   PRO   6          HD2       PRO   6 171.461  11.961  11.482
   38   2HD   PRO   6          HD1       PRO   6 171.458  13.385  12.541
   39    H    SER   7           HN       SER   7 169.021  15.777   8.137
   40    HA   SER   7           HA       SER   7 168.621  13.605   6.342
   41   1HB   SER   7          HB2       SER   7 167.048  15.491   6.474
   42   2HB   SER   7          HB1       SER   7 168.299  16.580   5.876
   43    HG   SER   7           HG       SER   7 167.532  16.054   3.992
   44    H    THR   8           HN       THR   8 171.046  16.085   6.670
   45    HA   THR   8           HA       THR   8 172.144  16.075   4.108
   46    HB   THR   8           HB       THR   8 173.594  16.410   6.741
   47    HG1  THR   8           1HG      THR   8 173.026  18.501   6.630
   48   1HG2  THR   8          1HG2      THR   8 174.909  16.148   4.495
   49   2HG2  THR   8          2HG2      THR   8 175.347  17.393   5.665
   50   3HG2  THR   8          3HG2      THR   8 174.387  17.814   4.247
   51    H    ALA   9           HN       ALA   9 172.500  13.806   6.749
   52    HA   ALA   9           HA       ALA   9 174.768  12.429   5.812
   53   1HB   ALA   9          HB1       ALA   9 172.491  11.267   7.408
   54   2HB   ALA   9          HB2       ALA   9 173.807  12.219   8.096
   55   3HB   ALA   9          HB3       ALA   9 174.149  10.672   7.322
   56    H    LEU  10           HN       LEU  10 171.387  12.255   4.959
   57    HA   LEU  10           HA       LEU  10 171.508   9.777   3.570
   58   1HB   LEU  10          HB2       LEU  10 169.392  10.652   4.356
   59   2HB   LEU  10          HB1       LEU  10 169.577  12.087   3.366
   60    HG   LEU  10           HG       LEU  10 169.495   9.400   2.054
   61   1HD1  LEU  10          HD11      LEU  10 167.528   9.969   3.769
   62   2HD1  LEU  10          HD12      LEU  10 167.258   9.127   2.242
   63   3HD1  LEU  10          HD13      LEU  10 166.944  10.858   2.362
   64   1HD2  LEU  10          HD21      LEU  10 168.150  11.036   0.452
   65   2HD2  LEU  10          HD22      LEU  10 169.911  10.938   0.430
   66   3HD2  LEU  10          HD23      LEU  10 169.111  12.244   1.305
   67    H    ARG  11           HN       ARG  11 171.644  13.166   2.509
   68    HA   ARG  11           HA       ARG  11 171.844  12.695  -0.232
   69   1HB   ARG  11          HB2       ARG  11 172.635  14.939  -0.440
   70   2HB   ARG  11          HB1       ARG  11 171.465  14.918   0.870
   71   1HG   ARG  11          HG2       ARG  11 172.979  15.522   2.406
   72   2HG   ARG  11          HG1       ARG  11 174.248  14.517   1.708
   73   1HD   ARG  11          HD2       ARG  11 174.032  16.376  -0.216
   74   2HD   ARG  11          HD1       ARG  11 173.546  17.338   1.179
   75    HE   ARG  11           HE       ARG  11 175.709  17.288   1.926
   76   1HH1  ARG  11          HH11      ARG  11 175.310  14.850  -0.539
   77   2HH1  ARG  11          HH12      ARG  11 177.001  14.488  -0.630
   78   1HH2  ARG  11          HH21      ARG  11 177.933  16.814   1.806
   79   2HH2  ARG  11          HH22      ARG  11 178.490  15.602   0.701
   80    H    GLU  12           HN       GLU  12 174.175  12.321   2.297
   81    HA   GLU  12           HA       GLU  12 176.529  12.424   0.735
   82   1HB   GLU  12          HB2       GLU  12 175.801  11.423   3.439
   83   2HB   GLU  12          HB1       GLU  12 177.294  10.821   2.732
   84   1HG   GLU  12          HG2       GLU  12 177.571  13.463   2.273
   85   2HG   GLU  12          HG1       GLU  12 176.625  13.490   3.761
   86    H    LEU  13           HN       LEU  13 174.575   9.661   1.878
   87    HA   LEU  13           HA       LEU  13 176.118   7.706   0.520
   88   1HB   LEU  13          HB2       LEU  13 173.579   7.806   2.003
   89   2HB   LEU  13          HB1       LEU  13 173.663   6.552   0.785
   90    HG   LEU  13           HG       LEU  13 175.001   6.744   3.394
   91   1HD1  LEU  13          HD11      LEU  13 173.250   5.068   2.346
   92   2HD1  LEU  13          HD12      LEU  13 174.443   4.546   3.536
   93   3HD1  LEU  13          HD13      LEU  13 174.721   4.253   1.820
   94   1HD2  LEU  13          HD21      LEU  13 176.495   5.774   0.965
   95   2HD2  LEU  13          HD22      LEU  13 176.896   5.287   2.612
   96   3HD2  LEU  13          HD23      LEU  13 177.009   6.983   2.142
   97    H    ILE  14           HN       ILE  14 173.338   9.636  -0.347
   98    HA   ILE  14           HA       ILE  14 172.607   8.216  -2.671
   99    HB   ILE  14           HB       ILE  14 171.906  10.792  -1.440
  100   1HG1  ILE  14          2HG1      ILE  14 169.644  10.054  -2.037
  101   2HG1  ILE  14          1HG1      ILE  14 170.318   8.735  -2.989
  102   1HG2  ILE  14          1HG2      ILE  14 172.475  11.779  -3.497
  103   2HG2  ILE  14          2HG2      ILE  14 170.729  11.539  -3.560
  104   3HG2  ILE  14          3HG2      ILE  14 171.803  10.437  -4.423
  105   1HD1  ILE  14          HD11      ILE  14 169.461   8.420  -0.499
  106   2HD1  ILE  14          HD12      ILE  14 171.124   8.891  -0.150
  107   3HD1  ILE  14          HD13      ILE  14 170.801   7.487  -1.167
  108    H    GLU  15           HN       GLU  15 174.443  11.262  -2.331
  109    HA   GLU  15           HA       GLU  15 175.046  11.469  -5.082
  110   1HB   GLU  15          HB2       GLU  15 176.586  12.706  -2.801
  111   2HB   GLU  15          HB1       GLU  15 176.523  13.265  -4.467
  112   1HG   GLU  15          HG2       GLU  15 173.990  13.072  -2.924
  113   2HG   GLU  15          HG1       GLU  15 175.093  14.407  -2.594
  114    H    GLU  16           HN       GLU  16 176.813  10.027  -2.389
  115    HA   GLU  16           HA       GLU  16 179.250   9.646  -3.773
  116   1HB   GLU  16          HB2       GLU  16 178.687   9.563  -1.245
  117   2HB   GLU  16          HB1       GLU  16 178.284   7.887  -1.552
  118   1HG   GLU  16          HG2       GLU  16 180.528   7.452  -2.337
  119   2HG   GLU  16          HG1       GLU  16 180.946   9.154  -2.146
  120    H    LEU  17           HN       LEU  17 176.505   7.523  -3.120
  121    HA   LEU  17           HA       LEU  17 177.585   5.281  -4.476
  122   1HB   LEU  17          HB2       LEU  17 174.760   5.935  -3.650
  123   2HB   LEU  17          HB1       LEU  17 175.277   4.383  -4.277
  124    HG   LEU  17           HG       LEU  17 176.328   5.635  -1.742
  125   1HD1  LEU  17          HD11      LEU  17 173.834   4.581  -2.094
  126   2HD1  LEU  17          HD12      LEU  17 174.713   4.636  -0.566
  127   3HD1  LEU  17          HD13      LEU  17 174.763   3.181  -1.559
  128   1HD2  LEU  17          HD21      LEU  17 177.980   4.196  -2.632
  129   2HD2  LEU  17          HD22      LEU  17 176.784   2.977  -3.073
  130   3HD2  LEU  17          HD23      LEU  17 177.150   3.279  -1.374
  131    H    VAL  18           HN       VAL  18 175.682   8.035  -5.378
  132    HA   VAL  18           HA       VAL  18 174.843   6.985  -7.873
  133    HB   VAL  18           HB       VAL  18 174.067   9.135  -6.404
  134   1HG1  VAL  18          1HG1      VAL  18 175.256  10.421  -8.827
  135   2HG1  VAL  18          2HG1      VAL  18 176.142  10.334  -7.304
  136   3HG1  VAL  18          3HG1      VAL  18 174.594  11.174  -7.375
  137   1HG2  VAL  18          1HG2      VAL  18 172.368   9.277  -7.886
  138   2HG2  VAL  18          2HG2      VAL  18 173.082   7.772  -8.466
  139   3HG2  VAL  18          3HG2      VAL  18 173.444   9.292  -9.283
  140    H    ASN  19           HN       ASN  19 177.559   8.777  -6.687
  141    HA   ASN  19           HA       ASN  19 178.667   9.546  -9.176
  142   1HB   ASN  19          HB2       ASN  19 179.258  10.524  -6.930
  143   2HB   ASN  19          HB1       ASN  19 180.169   9.053  -6.599
  144   1HD2  ASN  19          HD21      ASN  19 182.245   9.193  -6.988
  145   2HD2  ASN  19          HD22      ASN  19 183.002  10.219  -8.154
  146    H    ILE  20           HN       ILE  20 179.445   6.827  -6.966
  147    HA   ILE  20           HA       ILE  20 181.392   5.680  -8.618
  148    HB   ILE  20           HB       ILE  20 181.092   3.680  -7.293
  149   1HG1  ILE  20          2HG1      ILE  20 178.573   5.034  -6.403
  150   2HG1  ILE  20          1HG1      ILE  20 178.777   3.391  -7.015
  151   1HG2  ILE  20          1HG2      ILE  20 182.077   5.992  -6.441
  152   2HG2  ILE  20          2HG2      ILE  20 182.050   4.546  -5.432
  153   3HG2  ILE  20          3HG2      ILE  20 180.803   5.779  -5.241
  154   1HD1  ILE  20          HD11      ILE  20 178.396   3.098  -4.748
  155   2HD1  ILE  20          HD12      ILE  20 179.389   4.484  -4.296
  156   3HD1  ILE  20          HD13      ILE  20 180.152   3.004  -4.875
  157    H    THR  21           HN       THR  21 177.920   5.039  -8.313
  158    HA   THR  21           HA       THR  21 177.905   2.977 -10.290
  159    HB   THR  21           HB       THR  21 176.228   3.262  -8.412
  160    HG1  THR  21           1HG      THR  21 175.203   3.021 -11.044
  161   1HG2  THR  21          1HG2      THR  21 175.751   5.747  -9.657
  162   2HG2  THR  21          2HG2      THR  21 174.937   5.045  -8.262
  163   3HG2  THR  21          3HG2      THR  21 174.311   4.755  -9.883
  164    H    GLN  22           HN       GLN  22 177.665   6.431 -10.369
  165    HA   GLN  22           HA       GLN  22 176.250   6.917 -12.682
  166   1HB   GLN  22          HB2       GLN  22 178.242   8.331 -11.094
  167   2HB   GLN  22          HB1       GLN  22 178.324   8.756 -12.798
  168   1HG   GLN  22          HG2       GLN  22 175.606   8.697 -11.749
  169   2HG   GLN  22          HG1       GLN  22 176.649   9.869 -10.945
  170   1HE2  GLN  22          1HE2      GLN  22 174.451  10.601 -12.474
  171   2HE2  GLN  22          2HE2      GLN  22 175.002  11.438 -13.882
  172    H    ASN  23           HN       ASN  23 179.383   5.476 -12.354
  173    HA   ASN  23           HA       ASN  23 180.585   6.000 -14.773
  174   1HB   ASN  23          HB2       ASN  23 180.658   3.745 -12.846
  175   2HB   ASN  23          HB1       ASN  23 181.312   3.432 -14.450
  176   1HD2  ASN  23          HD21      ASN  23 181.559   5.469 -11.614
  177   2HD2  ASN  23          HD22      ASN  23 183.193   5.961 -11.876
  178    H    GLN  24           HN       GLN  24 180.163   5.544 -16.837
  179    HA   GLN  24           HA       GLN  24 177.754   4.493 -17.709
  180   1HB   GLN  24          HB2       GLN  24 180.285   4.435 -19.339
  181   2HB   GLN  24          HB1       GLN  24 178.636   4.651 -19.895
  182   1HG   GLN  24          HG2       GLN  24 178.975   6.832 -19.871
  183   2HG   GLN  24          HG1       GLN  24 179.074   6.745 -18.114
  184   1HE2  GLN  24          1HE2      GLN  24 180.413   8.706 -19.376
  185   2HE2  GLN  24          2HE2      GLN  24 182.115   8.410 -19.334
  186    H    LYS  25           HN       LYS  25 178.211   2.673 -19.689
  187    HA   LYS  25           HA       LYS  25 178.029   0.226 -18.406
  188   1HB   LYS  25          HB2       LYS  25 178.932   0.740 -21.246
  189   2HB   LYS  25          HB1       LYS  25 178.333  -0.791 -20.622
  190   1HG   LYS  25          HG2       LYS  25 176.729   1.755 -20.689
  191   2HG   LYS  25          HG1       LYS  25 176.665   0.497 -21.926
  192   1HD   LYS  25          HD2       LYS  25 175.428  -0.879 -20.640
  193   2HD   LYS  25          HD1       LYS  25 176.307  -0.456 -19.169
  194   1HE   LYS  25          HE2       LYS  25 174.088   1.091 -20.495
  195   2HE   LYS  25          HE1       LYS  25 174.048   0.291 -18.925
  196   1HZ   LYS  25          HZ1       LYS  25 175.330   2.813 -19.694
  197   2HZ   LYS  25          HZ2       LYS  25 176.032   1.901 -18.455
  198   3HZ   LYS  25          HZ3       LYS  25 174.436   2.438 -18.307
  199    H    ALA  26           HN       ALA  26 180.852   1.979 -19.438
  200    HA   ALA  26           HA       ALA  26 182.766   0.006 -19.605
  201   1HB   ALA  26          HB1       ALA  26 182.788   2.731 -19.675
  202   2HB   ALA  26          HB2       ALA  26 184.223   1.706 -19.713
  203   3HB   ALA  26          HB3       ALA  26 183.676   2.401 -18.187
  204    HA   PRO  27           HA       PRO  27 183.475  -1.481 -15.515
  205   1HB   PRO  27          HB2       PRO  27 186.023  -2.066 -15.460
  206   2HB   PRO  27          HB1       PRO  27 184.991  -2.797 -16.706
  207   1HG   PRO  27          HG2       PRO  27 186.631  -0.318 -16.875
  208   2HG   PRO  27          HG1       PRO  27 186.740  -1.735 -17.939
  209   1HD   PRO  27          HD2       PRO  27 185.301   0.438 -18.614
  210   2HD   PRO  27          HD1       PRO  27 184.715  -1.195 -19.000
  211    H    LEU  28           HN       LEU  28 184.998  -1.283 -13.546
  212    HA   LEU  28           HA       LEU  28 185.519   1.577 -13.081
  213   1HB   LEU  28          HB2       LEU  28 183.701   0.912 -11.707
  214   2HB   LEU  28          HB1       LEU  28 184.510  -0.568 -11.231
  215    HG   LEU  28           HG       LEU  28 186.038   0.615  -9.826
  216   1HD1  LEU  28          HD11      LEU  28 184.875   3.109 -11.047
  217   2HD1  LEU  28          HD12      LEU  28 186.540   2.535 -11.145
  218   3HD1  LEU  28          HD13      LEU  28 185.891   3.101  -9.606
  219   1HD2  LEU  28          HD21      LEU  28 184.559   1.546  -8.193
  220   2HD2  LEU  28          HD22      LEU  28 183.733   0.197  -8.975
  221   3HD2  LEU  28          HD23      LEU  28 183.324   1.856  -9.414
  222    H    CYS  29           HN       CYS  29 186.397  -1.248 -11.170
  223    HA   CYS  29           HA       CYS  29 189.093  -0.285 -10.886
  224   1HB   CYS  29          HB2       CYS  29 187.849  -2.874  -9.934
  225   2HB   CYS  29          HB1       CYS  29 189.409  -2.233  -9.430
  226    H    ASN  30           HN       ASN  30 187.935  -3.528 -11.807
  227    HA   ASN  30           HA       ASN  30 189.427  -3.564 -14.241
  228   1HB   ASN  30          HB2       ASN  30 191.031  -3.995 -12.119
  229   2HB   ASN  30          HB1       ASN  30 190.466  -5.640 -12.396
  230   1HD2  ASN  30          HD21      ASN  30 190.451  -6.169 -14.867
  231   2HD2  ASN  30          HD22      ASN  30 191.930  -5.806 -15.682
  232    H    GLY  31           HN       GLY  31 186.736  -4.114 -13.277
  233   1HA   GLY  31          HA2       GLY  31 185.048  -5.628 -13.623
  234   2HA   GLY  31          HA1       GLY  31 186.109  -6.349 -14.823
  235    H    SER  32           HN       SER  32 187.070  -6.147 -11.484
  236    HA   SER  32           HA       SER  32 187.129  -9.055 -11.353
  237   1HB   SER  32          HB2       SER  32 188.154  -7.014  -9.368
  238   2HB   SER  32          HB1       SER  32 188.475  -8.748  -9.341
  239    HG   SER  32           HG       SER  32 189.716  -6.799 -10.743
  240    H    MET  33           HN       MET  33 185.295 -10.005 -10.742
  241    HA   MET  33           HA       MET  33 183.221  -8.826  -9.306
  242   1HB   MET  33          HB2       MET  33 183.812 -11.779  -9.355
  243   2HB   MET  33          HB1       MET  33 182.254 -10.988  -9.228
  244   1HG   MET  33          HG2       MET  33 182.005 -10.990 -11.419
  245   2HG   MET  33          HG1       MET  33 183.538 -10.149 -11.633
  246   1HE   MET  33          HE1       MET  33 182.119 -13.983 -12.746
  247   2HE   MET  33          HE2       MET  33 181.559 -13.132 -11.306
  248   3HE   MET  33          HE3       MET  33 182.683 -14.482 -11.151
  249    H    VAL  34           HN       VAL  34 182.391  -9.586  -7.173
  250    HA   VAL  34           HA       VAL  34 184.413 -10.453  -5.271
  251    HB   VAL  34           HB       VAL  34 183.738  -8.559  -3.708
  252   1HG1  VAL  34          1HG1      VAL  34 185.833  -8.818  -5.382
  253   2HG1  VAL  34          2HG1      VAL  34 185.643  -7.479  -4.250
  254   3HG1  VAL  34          3HG1      VAL  34 185.175  -7.280  -5.939
  255   1HG2  VAL  34          1HG2      VAL  34 181.817  -7.928  -5.340
  256   2HG2  VAL  34          2HG2      VAL  34 183.071  -7.019  -6.182
  257   3HG2  VAL  34          3HG2      VAL  34 182.696  -6.651  -4.499
  258    H    TRP  35           HN       TRP  35 183.269 -10.459  -2.966
  259    HA   TRP  35           HA       TRP  35 181.030 -12.182  -3.268
  260   1HB   TRP  35          HB2       TRP  35 181.697 -10.919  -0.643
  261   2HB   TRP  35          HB1       TRP  35 181.088 -12.526  -0.997
  262    HD1  TRP  35           HD1      TRP  35 183.946 -11.232   0.464
  263    HE1  TRP  35           HE1      TRP  35 186.048 -12.606  -0.014
  264    HE3  TRP  35           HE3      TRP  35 182.292 -13.898  -3.570
  265    HZ2  TRP  35           HZ2      TRP  35 186.926 -14.561  -1.852
  266    HZ3  TRP  35           HZ3      TRP  35 183.830 -15.502  -4.629
  267    HH2  TRP  35           HH2      TRP  35 186.097 -15.825  -3.788
  268    H    SER  36           HN       SER  36 179.158 -11.512  -3.827
  269    HA   SER  36           HA       SER  36 178.025  -9.084  -3.996
  270   1HB   SER  36          HB2       SER  36 175.846 -10.579  -3.180
  271   2HB   SER  36          HB1       SER  36 176.476 -10.486  -4.823
  272    HG   SER  36           HG       SER  36 177.498 -12.382  -4.559
  273    H    ILE  37           HN       ILE  37 176.774  -7.684  -2.745
  274    HA   ILE  37           HA       ILE  37 177.511  -7.315  -0.115
  275    HB   ILE  37           HB       ILE  37 174.980  -6.259  -1.374
  276   1HG1  ILE  37          2HG1      ILE  37 176.896  -5.914  -2.921
  277   2HG1  ILE  37          1HG1      ILE  37 176.314  -4.400  -2.240
  278   1HG2  ILE  37          1HG2      ILE  37 175.744  -4.284   0.051
  279   2HG2  ILE  37          2HG2      ILE  37 176.793  -5.459   0.840
  280   3HG2  ILE  37          3HG2      ILE  37 175.047  -5.687   0.857
  281   1HD1  ILE  37          HD11      ILE  37 178.676  -5.909  -1.160
  282   2HD1  ILE  37          HD12      ILE  37 178.155  -4.277  -0.744
  283   3HD1  ILE  37          HD13      ILE  37 178.790  -4.616  -2.355
  284    H    ASN  38           HN       ASN  38 176.146  -7.291   1.773
  285    HA   ASN  38           HA       ASN  38 174.176  -9.481   1.782
  286   1HB   ASN  38          HB2       ASN  38 176.491  -9.507   3.160
  287   2HB   ASN  38          HB1       ASN  38 175.473  -8.671   4.329
  288   1HD2  ASN  38          HD21      ASN  38 175.608 -10.407   5.757
  289   2HD2  ASN  38          HD22      ASN  38 174.730 -11.872   5.498
  290    H    LEU  39           HN       LEU  39 172.985  -7.384   1.037
  291    HA   LEU  39           HA       LEU  39 172.292  -5.236   2.487
  292   1HB   LEU  39          HB2       LEU  39 170.179  -6.913   1.168
  293   2HB   LEU  39          HB1       LEU  39 170.246  -5.167   1.312
  294    HG   LEU  39           HG       LEU  39 171.979  -6.907  -0.439
  295   1HD1  LEU  39          HD11      LEU  39 170.152  -6.645  -1.714
  296   2HD1  LEU  39          HD12      LEU  39 170.909  -5.091  -2.065
  297   3HD1  LEU  39          HD13      LEU  39 169.622  -5.195  -0.863
  298   1HD2  LEU  39          HD21      LEU  39 172.361  -4.172  -1.012
  299   2HD2  LEU  39          HD22      LEU  39 173.536  -5.333  -0.399
  300   3HD2  LEU  39          HD23      LEU  39 172.580  -4.371   0.726
  301    H    THR  40           HN       THR  40 171.510  -8.493   3.356
  302    HA   THR  40           HA       THR  40 169.359  -7.952   5.112
  303    HB   THR  40           HB       THR  40 169.610 -10.189   4.363
  304    HG1  THR  40           1HG      THR  40 168.906 -10.387   6.384
  305   1HG2  THR  40          1HG2      THR  40 172.441  -9.831   5.076
  306   2HG2  THR  40          2HG2      THR  40 171.700 -10.759   3.772
  307   3HG2  THR  40          3HG2      THR  40 171.746 -11.418   5.407
  308    H    ALA  41           HN       ALA  41 170.100  -6.103   6.282
  309    HA   ALA  41           HA       ALA  41 170.863  -5.072   8.155
  310   1HB   ALA  41          HB1       ALA  41 171.859  -6.860   9.906
  311   2HB   ALA  41          HB2       ALA  41 170.870  -7.921   8.902
  312   3HB   ALA  41          HB3       ALA  41 170.137  -6.534   9.707
  313    H    GLY  42           HN       GLY  42 173.214  -7.691   8.479
  314   1HA   GLY  42          HA2       GLY  42 175.387  -5.853   8.577
  315   2HA   GLY  42          HA1       GLY  42 175.511  -7.600   8.547
  316    H    MET  43           HN       MET  43 174.660  -4.930   6.400
  317    HA   MET  43           HA       MET  43 175.809  -6.397   4.149
  318   1HB   MET  43          HB2       MET  43 174.724  -4.709   2.737
  319   2HB   MET  43          HB1       MET  43 173.585  -5.485   3.820
  320   1HG   MET  43          HG2       MET  43 172.922  -3.349   4.063
  321   2HG   MET  43          HG1       MET  43 174.124  -3.427   5.347
  322   1HE   MET  43          HE1       MET  43 174.282  -1.553   1.280
  323   2HE   MET  43          HE2       MET  43 173.906  -3.232   1.670
  324   3HE   MET  43          HE3       MET  43 175.572  -2.753   1.346
  325    H    TYR  44           HN       TYR  44 176.169  -3.351   5.905
  326    HA   TYR  44           HA       TYR  44 178.004  -2.049   4.310
  327   1HB   TYR  44          HB2       TYR  44 178.188  -2.098   7.323
  328   2HB   TYR  44          HB1       TYR  44 178.644  -0.792   6.234
  329    HD1  TYR  44           HD1      TYR  44 175.945  -2.346   8.082
  330    HD2  TYR  44           HD2      TYR  44 176.871   0.530   5.085
  331    HE1  TYR  44           HE1      TYR  44 173.713  -1.353   8.353
  332    HE2  TYR  44           HE2      TYR  44 174.641   1.531   5.349
  333    HH   TYR  44           HH       TYR  44 172.849   1.464   7.606
  334    H    CYS  45           HN       CYS  45 178.781  -4.208   7.044
  335    HA   CYS  45           HA       CYS  45 181.543  -4.267   6.631
  336   1HB   CYS  45          HB2       CYS  45 179.787  -5.391   8.448
  337   2HB   CYS  45          HB1       CYS  45 180.465  -6.792   7.628
  338    H    ALA  46           HN       ALA  46 178.983  -5.785   4.902
  339    HA   ALA  46           HA       ALA  46 180.471  -7.937   3.781
  340   1HB   ALA  46          HB1       ALA  46 178.167  -6.733   2.328
  341   2HB   ALA  46          HB2       ALA  46 177.879  -7.495   3.893
  342   3HB   ALA  46          HB3       ALA  46 178.585  -8.429   2.574
  343    H    ALA  47           HN       ALA  47 179.388  -4.828   2.421
  344    HA   ALA  47           HA       ALA  47 180.878  -5.032   0.037
  345   1HB   ALA  47          HB1       ALA  47 180.327  -2.324   1.062
  346   2HB   ALA  47          HB2       ALA  47 178.927  -3.382   0.888
  347   3HB   ALA  47          HB3       ALA  47 179.956  -3.045  -0.504
  348    H    LEU  48           HN       LEU  48 181.742  -4.086   3.257
  349    HA   LEU  48           HA       LEU  48 184.088  -2.616   2.532
  350   1HB   LEU  48          HB2       LEU  48 183.011  -2.091   4.600
  351   2HB   LEU  48          HB1       LEU  48 183.059  -3.762   5.121
  352    HG   LEU  48           HG       LEU  48 185.536  -3.620   5.234
  353   1HD1  LEU  48          HD11      LEU  48 186.310  -1.121   5.408
  354   2HD1  LEU  48          HD12      LEU  48 184.952  -0.847   4.317
  355   3HD1  LEU  48          HD13      LEU  48 186.254  -1.942   3.848
  356   1HD2  LEU  48          HD21      LEU  48 184.435  -3.398   7.291
  357   2HD2  LEU  48          HD22      LEU  48 183.828  -1.791   6.893
  358   3HD2  LEU  48          HD23      LEU  48 185.543  -2.027   7.230
  359    H    GLU  49           HN       GLU  49 183.340  -5.869   3.666
  360    HA   GLU  49           HA       GLU  49 186.009  -6.716   3.879
  361   1HB   GLU  49          HB2       GLU  49 185.136  -8.964   4.078
  362   2HB   GLU  49          HB1       GLU  49 184.140  -7.857   5.011
  363   1HG   GLU  49          HG2       GLU  49 182.354  -8.037   3.577
  364   2HG   GLU  49          HG1       GLU  49 183.354  -8.554   2.222
  365    H    SER  50           HN       SER  50 183.700  -6.733   1.234
  366    HA   SER  50           HA       SER  50 185.424  -8.301  -0.473
  367   1HB   SER  50          HB2       SER  50 183.310  -6.827  -1.841
  368   2HB   SER  50          HB1       SER  50 183.592  -8.565  -1.748
  369    HG   SER  50           HG       SER  50 181.795  -8.416  -0.616
  370    H    LEU  51           HN       LEU  51 184.716  -4.917   0.074
  371    HA   LEU  51           HA       LEU  51 185.990  -3.955  -2.287
  372   1HB   LEU  51          HB2       LEU  51 185.014  -2.718   0.255
  373   2HB   LEU  51          HB1       LEU  51 186.027  -1.786  -0.827
  374    HG   LEU  51           HG       LEU  51 183.498  -3.109  -1.774
  375   1HD1  LEU  51          HD11      LEU  51 182.848  -0.484  -1.558
  376   2HD1  LEU  51          HD12      LEU  51 183.830  -0.714  -0.112
  377   3HD1  LEU  51          HD13      LEU  51 182.410  -1.724  -0.383
  378   1HD2  LEU  51          HD21      LEU  51 185.524  -1.993  -3.180
  379   2HD2  LEU  51          HD22      LEU  51 184.477  -0.594  -2.938
  380   3HD2  LEU  51          HD23      LEU  51 183.847  -2.043  -3.723
  381    H    ILE  52           HN       ILE  52 187.026  -4.576   1.016
  382    HA   ILE  52           HA       ILE  52 189.482  -3.244   0.969
  383    HB   ILE  52           HB       ILE  52 188.477  -4.149   3.023
  384   1HG1  ILE  52          2HG1      ILE  52 190.980  -5.624   3.156
  385   2HG1  ILE  52          1HG1      ILE  52 191.181  -4.079   2.336
  386   1HG2  ILE  52          1HG2      ILE  52 187.645  -6.215   2.895
  387   2HG2  ILE  52          2HG2      ILE  52 189.294  -6.762   3.195
  388   3HG2  ILE  52          3HG2      ILE  52 188.690  -6.650   1.543
  389   1HD1  ILE  52          HD11      ILE  52 189.687  -4.129   4.900
  390   2HD1  ILE  52          HD12      ILE  52 190.710  -2.871   4.207
  391   3HD1  ILE  52          HD13      ILE  52 191.442  -4.300   4.936
  392    H    ASN  53           HN       ASN  53 188.491  -6.177  -0.562
  393    HA   ASN  53           HA       ASN  53 191.251  -6.993  -1.063
  394   1HB   ASN  53          HB2       ASN  53 188.596  -8.313  -1.233
  395   2HB   ASN  53          HB1       ASN  53 189.824  -8.849  -2.375
  396   1HD2  ASN  53          HD21      ASN  53 190.266  -7.706   0.929
  397   2HD2  ASN  53          HD22      ASN  53 190.915  -9.183   1.545
  398    H    VAL  54           HN       VAL  54 189.827  -4.596  -2.285
  399    HA   VAL  54           HA       VAL  54 189.853  -5.320  -5.116
  400    HB   VAL  54           HB       VAL  54 189.154  -2.682  -3.814
  401   1HG1  VAL  54          1HG1      VAL  54 189.689  -2.062  -5.960
  402   2HG1  VAL  54          2HG1      VAL  54 187.982  -2.466  -6.150
  403   3HG1  VAL  54          3HG1      VAL  54 189.221  -3.620  -6.643
  404   1HG2  VAL  54          1HG2      VAL  54 187.637  -4.618  -3.288
  405   2HG2  VAL  54          2HG2      VAL  54 187.272  -4.705  -5.011
  406   3HG2  VAL  54          3HG2      VAL  54 186.864  -3.253  -4.096
  407    H    SER  55           HN       SER  55 191.407  -4.704  -6.520
  408    HA   SER  55           HA       SER  55 193.516  -2.901  -5.538
  409   1HB   SER  55          HB2       SER  55 194.219  -5.161  -7.370
  410   2HB   SER  55          HB1       SER  55 195.227  -4.318  -6.194
  411    HG   SER  55           HG       SER  55 194.781  -6.261  -5.288
  412    H    GLY  56           HN       GLY  56 193.890  -1.230  -6.837
  413   1HA   GLY  56          HA2       GLY  56 194.420  -0.343  -9.009
  414   2HA   GLY  56          HA1       GLY  56 193.327  -1.524  -9.713
  415    H    CYS  57           HN       CYS  57 192.374   0.229  -6.869
  416    HA   CYS  57           HA       CYS  57 190.770   2.075  -8.485
  417   1HB   CYS  57          HB2       CYS  57 189.784  -0.133  -6.865
  418   2HB   CYS  57          HB1       CYS  57 189.111   1.409  -6.351
  419    H    SER  58           HN       SER  58 190.730   1.338  -5.020
  420    HA   SER  58           HA       SER  58 191.186   2.587  -3.181
  421   1HB   SER  58          HB2       SER  58 193.395   2.841  -4.769
  422   2HB   SER  58          HB1       SER  58 192.946   4.530  -4.524
  423    HG   SER  58           HG       SER  58 194.381   3.420  -2.908
  424    H    ALA  59           HN       ALA  59 189.226   3.515  -5.403
  425    HA   ALA  59           HA       ALA  59 189.054   6.359  -4.779
  426   1HB   ALA  59          HB1       ALA  59 188.700   5.296  -7.112
  427   2HB   ALA  59          HB2       ALA  59 187.608   6.574  -6.581
  428   3HB   ALA  59          HB3       ALA  59 187.097   4.888  -6.502
  429    H    ILE  60           HN       ILE  60 187.446   3.332  -4.118
  430    HA   ILE  60           HA       ILE  60 185.145   4.508  -2.888
  431    HB   ILE  60           HB       ILE  60 184.659   2.176  -2.231
  432   1HG1  ILE  60          2HG1      ILE  60 186.358   0.623  -3.716
  433   2HG1  ILE  60          1HG1      ILE  60 187.449   1.837  -3.060
  434   1HG2  ILE  60          1HG2      ILE  60 184.644   1.314  -4.692
  435   2HG2  ILE  60          2HG2      ILE  60 185.203   2.947  -5.051
  436   3HG2  ILE  60          3HG2      ILE  60 183.661   2.704  -4.231
  437   1HD1  ILE  60          HD11      ILE  60 186.743   1.292  -0.813
  438   2HD1  ILE  60          HD12      ILE  60 187.326  -0.146  -1.651
  439   3HD1  ILE  60          HD13      ILE  60 185.593   0.112  -1.442
  440    H    GLU  61           HN       GLU  61 188.239   4.492  -1.870
  441    HA   GLU  61           HA       GLU  61 188.444   3.390   0.604
  442   1HB   GLU  61          HB2       GLU  61 189.595   5.768  -0.698
  443   2HB   GLU  61          HB1       GLU  61 189.677   5.767   1.058
  444   1HG   GLU  61          HG2       GLU  61 190.521   3.249   0.467
  445   2HG   GLU  61          HG1       GLU  61 191.146   4.171  -0.899
  446    H    LYS  62           HN       LYS  62 187.003   6.529  -0.127
  447    HA   LYS  62           HA       LYS  62 186.337   7.256   2.493
  448   1HB   LYS  62          HB2       LYS  62 185.436   8.057  -0.222
  449   2HB   LYS  62          HB1       LYS  62 184.382   8.480   1.120
  450   1HG   LYS  62          HG2       LYS  62 185.646  10.335   1.167
  451   2HG   LYS  62          HG1       LYS  62 186.737   9.315   2.106
  452   1HD   LYS  62          HD2       LYS  62 187.506   8.702  -0.421
  453   2HD   LYS  62          HD1       LYS  62 187.020  10.387  -0.619
  454   1HE   LYS  62          HE2       LYS  62 189.131  10.803   0.050
  455   2HE   LYS  62          HE1       LYS  62 188.452  10.562   1.659
  456   1HZ   LYS  62          HZ1       LYS  62 189.051   8.074   1.094
  457   2HZ   LYS  62          HZ2       LYS  62 190.192   9.131   1.759
  458   3HZ   LYS  62          HZ3       LYS  62 190.199   8.817   0.097
  459    H    THR  63           HN       THR  63 184.416   5.592   0.014
  460    HA   THR  63           HA       THR  63 182.105   5.239   1.578
  461    HB   THR  63           HB       THR  63 183.191   3.756  -0.816
  462    HG1  THR  63           1HG      THR  63 181.066   5.596  -0.464
  463   1HG2  THR  63          1HG2      THR  63 181.046   2.700  -1.116
  464   2HG2  THR  63          2HG2      THR  63 180.456   3.410   0.387
  465   3HG2  THR  63          3HG2      THR  63 181.750   2.211   0.426
  466    H    GLN  64           HN       GLN  64 185.111   3.497   1.395
  467    HA   GLN  64           HA       GLN  64 184.263   1.098   2.631
  468   1HB   GLN  64          HB2       GLN  64 186.800   2.340   1.862
  469   2HB   GLN  64          HB1       GLN  64 186.924   1.365   3.319
  470   1HG   GLN  64          HG2       GLN  64 186.122  -0.570   2.174
  471   2HG   GLN  64          HG1       GLN  64 185.740   0.378   0.738
  472   1HE2  GLN  64          1HE2      GLN  64 187.385  -1.915   0.800
  473   2HE2  GLN  64          2HE2      GLN  64 188.978  -1.437   0.337
  474    H    ARG  65           HN       ARG  65 185.877   3.990   3.938
  475    HA   ARG  65           HA       ARG  65 185.954   3.148   6.571
  476   1HB   ARG  65          HB2       ARG  65 186.882   5.184   7.013
  477   2HB   ARG  65          HB1       ARG  65 187.069   5.144   5.271
  478   1HG   ARG  65          HG2       ARG  65 186.195   7.187   5.381
  479   2HG   ARG  65          HG1       ARG  65 184.665   6.326   5.441
  480   1HD   ARG  65          HD2       ARG  65 184.567   6.500   7.817
  481   2HD   ARG  65          HD1       ARG  65 186.221   7.105   7.895
  482    HE   ARG  65           HE       ARG  65 184.729   8.858   6.315
  483   1HH1  ARG  65          HH11      ARG  65 184.899   7.801   9.636
  484   2HH1  ARG  65          HH12      ARG  65 184.306   9.298  10.274
  485   1HH2  ARG  65          HH21      ARG  65 183.950  10.828   7.151
  486   2HH2  ARG  65          HH22      ARG  65 183.767  11.017   8.863
  487    H    MET  66           HN       MET  66 183.556   5.040   4.816
  488    HA   MET  66           HA       MET  66 181.921   5.617   7.038
  489   1HB   MET  66          HB2       MET  66 180.399   6.485   5.480
  490   2HB   MET  66          HB1       MET  66 181.970   6.751   4.751
  491   1HG   MET  66          HG2       MET  66 181.672   4.882   3.296
  492   2HG   MET  66          HG1       MET  66 180.161   4.453   4.080
  493   1HE   MET  66          HE1       MET  66 178.318   8.019   3.176
  494   2HE   MET  66          HE2       MET  66 179.588   7.903   4.393
  495   3HE   MET  66          HE3       MET  66 178.298   6.702   4.349
  496    H    LEU  67           HN       LEU  67 182.062   2.946   4.775
  497    HA   LEU  67           HA       LEU  67 179.605   1.740   5.537
  498   1HB   LEU  67          HB2       LEU  67 182.025   0.863   4.017
  499   2HB   LEU  67          HB1       LEU  67 180.860  -0.339   4.531
  500    HG   LEU  67           HG       LEU  67 180.345   2.002   2.700
  501   1HD1  LEU  67          HD11      LEU  67 181.213   0.485   1.269
  502   2HD1  LEU  67          HD12      LEU  67 179.579  -0.175   1.343
  503   3HD1  LEU  67          HD13      LEU  67 180.860  -0.880   2.328
  504   1HD2  LEU  67          HD21      LEU  67 178.364   1.808   3.931
  505   2HD2  LEU  67          HD22      LEU  67 178.472   0.048   3.997
  506   3HD2  LEU  67          HD23      LEU  67 178.076   0.851   2.478
  507    H    SER  68           HN       SER  68 182.982   1.248   6.487
  508    HA   SER  68           HA       SER  68 182.574  -0.937   8.191
  509   1HB   SER  68          HB2       SER  68 184.795  -0.042   7.340
  510   2HB   SER  68          HB1       SER  68 184.674   1.193   8.592
  511    HG   SER  68           HG       SER  68 184.402  -0.682  10.066
  512    H    GLY  69           HN       GLY  69 182.544   2.532   8.807
  513   1HA   GLY  69          HA2       GLY  69 182.327   2.591  11.533
  514   2HA   GLY  69          HA1       GLY  69 181.558   3.755  10.472
  515    H    PHE  70           HN       PHE  70 179.945   1.524   9.247
  516    HA   PHE  70           HA       PHE  70 177.876   1.484  11.322
  517   1HB   PHE  70          HB2       PHE  70 177.765   1.172   8.326
  518   2HB   PHE  70          HB1       PHE  70 176.387   0.820   9.363
  519    HD1  PHE  70           HD1      PHE  70 175.726   2.741  11.021
  520    HD2  PHE  70           HD2      PHE  70 178.001   3.291   7.467
  521    HE1  PHE  70           HE1      PHE  70 175.092   5.118  10.988
  522    HE2  PHE  70           HE2      PHE  70 177.372   5.670   7.428
  523    HZ   PHE  70           HZ       PHE  70 175.916   6.586   9.190
  524    H    CYS  71           HN       CYS  71 180.051  -0.584   9.644
  525    HA   CYS  71           HA       CYS  71 178.798  -3.008   9.518
  526   1HB   CYS  71          HB2       CYS  71 180.958  -3.077   8.705
  527   2HB   CYS  71          HB1       CYS  71 181.618  -2.194  10.074
  528    HA   PRO  72           HA       PRO  72 177.502  -4.014  13.631
  529   1HB   PRO  72          HB2       PRO  72 177.547  -6.758  13.373
  530   2HB   PRO  72          HB1       PRO  72 176.217  -5.723  12.846
  531   1HG   PRO  72          HG2       PRO  72 178.456  -6.896  11.249
  532   2HG   PRO  72          HG1       PRO  72 176.742  -6.724  10.822
  533   1HD   PRO  72          HD2       PRO  72 178.598  -5.054   9.847
  534   2HD   PRO  72          HD1       PRO  72 176.975  -4.480  10.280
  535    H    HIS  73           HN       HIS  73 180.133  -5.947  12.280
  536    HA   HIS  73           HA       HIS  73 181.419  -5.914  14.928
  537   1HB   HIS  73          HB2       HIS  73 181.361  -8.015  12.784
  538   2HB   HIS  73          HB1       HIS  73 182.685  -7.964  13.943
  539    HD1  HIS  73           HD1      HIS  73 179.515  -9.495  13.466
  540    HD2  HIS  73           HD2      HIS  73 181.537  -7.948  16.750
  541    HE1  HIS  73           HE1      HIS  73 178.416 -10.528  15.479
  542    HE2  HIS  73           HE2      HIS  73 179.600  -9.510  17.457
  543    H    LYS  74           HN       LYS  74 183.044  -6.971  12.009
  544    HA   LYS  74           HA       LYS  74 184.236  -4.627  11.157
  545   1HB   LYS  74          HB2       LYS  74 185.322  -5.628  13.661
  546   2HB   LYS  74          HB1       LYS  74 186.553  -5.536  12.408
  547   1HG   LYS  74          HG2       LYS  74 184.741  -3.213  12.863
  548   2HG   LYS  74          HG1       LYS  74 186.098  -3.500  13.952
  549   1HD   LYS  74          HD2       LYS  74 187.674  -3.180  12.274
  550   2HD   LYS  74          HD1       LYS  74 186.507  -3.500  10.989
  551   1HE   LYS  74          HE2       LYS  74 185.338  -1.377  11.692
  552   2HE   LYS  74          HE1       LYS  74 186.734  -1.043  12.715
  553   1HZ   LYS  74          HZ1       LYS  74 186.935   0.071  10.593
  554   2HZ   LYS  74          HZ2       LYS  74 186.785  -1.398   9.767
  555   3HZ   LYS  74          HZ3       LYS  74 188.138  -1.110  10.740
  556    H    VAL  75           HN       VAL  75 185.762  -4.972   9.516
  557    HA   VAL  75           HA       VAL  75 186.910  -7.547   9.045
  558    HB   VAL  75           HB       VAL  75 184.629  -8.002   8.267
  559   1HG1  VAL  75          1HG1      VAL  75 184.469  -5.443   7.520
  560   2HG1  VAL  75          2HG1      VAL  75 183.443  -6.705   6.839
  561   3HG1  VAL  75          3HG1      VAL  75 184.875  -6.164   5.963
  562   1HG2  VAL  75          1HG2      VAL  75 185.228  -9.060   6.284
  563   2HG2  VAL  75          2HG2      VAL  75 186.770  -8.866   7.117
  564   3HG2  VAL  75          3HG2      VAL  75 186.328  -7.766   5.810
  565    H    SER  76           HN       SER  76 188.865  -6.484   8.827
  566    HA   SER  76           HA       SER  76 189.177  -4.479   6.794
  567   1HB   SER  76          HB2       SER  76 191.157  -5.372   8.855
  568   2HB   SER  76          HB1       SER  76 191.093  -3.847   7.984
  569    HG   SER  76           HG       SER  76 189.636  -4.693  10.195
  570    H    ALA  77           HN       ALA  77 191.912  -5.314   7.128
  571    HA   ALA  77           HA       ALA  77 192.006  -7.480   5.138
  572   1HB   ALA  77          HB1       ALA  77 192.887  -5.823   3.874
  573   2HB   ALA  77          HB2       ALA  77 194.366  -6.283   4.717
  574   3HB   ALA  77          HB3       ALA  77 193.430  -4.895   5.272
  575    H    GLY  78           HN       GLY  78 192.471  -9.267   6.298
  576   1HA   GLY  78          HA2       GLY  78 195.086  -9.439   7.514
  577   2HA   GLY  78          HA1       GLY  78 193.758  -9.591   8.654
  578    H    GLN  79           HN       GLN  79 192.858 -11.536   8.935
  579    HA   GLN  79           HA       GLN  79 193.908 -13.758   7.394
  580   1HB   GLN  79          HB2       GLN  79 191.939 -13.874   9.677
  581   2HB   GLN  79          HB1       GLN  79 192.957 -15.173   9.073
  582   1HG   GLN  79          HG2       GLN  79 194.691 -14.545  10.319
  583   2HG   GLN  79          HG1       GLN  79 194.476 -12.841   9.920
  584   1HE2  GLN  79          1HE2      GLN  79 193.438 -11.523  11.324
  585   2HE2  GLN  79          2HE2      GLN  79 192.851 -12.025  12.870
  586    H    PHE  80           HN       PHE  80 191.931 -15.597   7.400
  587    HA   PHE  80           HA       PHE  80 189.863 -14.382   5.687
  588   1HB   PHE  80          HB2       PHE  80 189.771 -16.746   4.665
  589   2HB   PHE  80          HB1       PHE  80 191.141 -15.723   4.247
  590    HD1  PHE  80           HD1      PHE  80 190.222 -18.167   6.919
  591    HD2  PHE  80           HD2      PHE  80 193.186 -16.743   4.217
  592    HE1  PHE  80           HE1      PHE  80 191.763 -19.924   7.690
  593    HE2  PHE  80           HE2      PHE  80 194.732 -18.498   4.982
  594    HZ   PHE  80           HZ       PHE  80 194.021 -20.091   6.720
  595    H    SER  81           HN       SER  81 189.639 -14.647   8.521
  596    HA   SER  81           HA       SER  81 188.262 -16.921   9.372
  597   1HB   SER  81          HB2       SER  81 187.395 -14.329  10.519
  598   2HB   SER  81          HB1       SER  81 187.956 -15.792  11.329
  599    HG   SER  81           HG       SER  81 189.319 -13.600  10.904
  600    H    SER  82           HN       SER  82 185.907 -16.888  10.083
  601    HA   SER  82           HA       SER  82 183.704 -16.926   9.522
  602   1HB   SER  82          HB2       SER  82 184.605 -14.235   8.641
  603   2HB   SER  82          HB1       SER  82 183.055 -14.797   8.013
  604    HG   SER  82           HG       SER  82 183.702 -14.889  10.765
  605    H    LEU  83           HN       LEU  83 183.789 -18.762   8.238
  606    HA   LEU  83           HA       LEU  83 184.206 -18.394   5.363
  607   1HB   LEU  83          HB2       LEU  83 183.733 -21.028   6.721
  608   2HB   LEU  83          HB1       LEU  83 184.548 -20.711   5.201
  609    HG   LEU  83           HG       LEU  83 185.710 -19.704   7.775
  610   1HD1  LEU  83          HD11      LEU  83 185.724 -21.858   8.461
  611   2HD1  LEU  83          HD12      LEU  83 187.128 -21.938   7.396
  612   3HD1  LEU  83          HD13      LEU  83 185.555 -22.497   6.826
  613   1HD2  LEU  83          HD21      LEU  83 187.786 -20.359   6.265
  614   2HD2  LEU  83          HD22      LEU  83 186.956 -18.813   6.089
  615   3HD2  LEU  83          HD23      LEU  83 186.602 -20.135   4.977
  616    H    HIS  84           HN       HIS  84 181.827 -17.374   6.612
  617    HA   HIS  84           HA       HIS  84 179.863 -18.801   4.997
  618   1HB   HIS  84          HB2       HIS  84 178.206 -18.588   6.936
  619   2HB   HIS  84          HB1       HIS  84 179.418 -19.859   7.058
  620    HD1  HIS  84           HD1      HIS  84 180.545 -16.411   7.805
  621    HD2  HIS  84           HD2      HIS  84 179.131 -19.718   9.886
  622    HE1  HIS  84           HE1      HIS  84 181.062 -15.955  10.224
  623    HE2  HIS  84           HE2      HIS  84 180.120 -17.930  11.472
  624    H    VAL  85           HN       VAL  85 181.235 -16.255   4.762
  625    HA   VAL  85           HA       VAL  85 178.985 -14.388   5.089
  626    HB   VAL  85           HB       VAL  85 181.055 -12.752   4.495
  627   1HG1  VAL  85          1HG1      VAL  85 179.360 -12.896   6.476
  628   2HG1  VAL  85          2HG1      VAL  85 180.851 -11.968   6.646
  629   3HG1  VAL  85          3HG1      VAL  85 180.735 -13.586   7.338
  630   1HG2  VAL  85          1HG2      VAL  85 182.257 -14.981   6.131
  631   2HG2  VAL  85          2HG2      VAL  85 183.015 -13.427   5.785
  632   3HG2  VAL  85          3HG2      VAL  85 182.693 -14.562   4.474
  633    H    ARG  86           HN       ARG  86 181.297 -15.743   2.841
  634    HA   ARG  86           HA       ARG  86 180.539 -14.013   0.668
  635   1HB   ARG  86          HB2       ARG  86 182.034 -16.619   0.435
  636   2HB   ARG  86          HB1       ARG  86 182.087 -15.238  -0.652
  637   1HG   ARG  86          HG2       ARG  86 183.274 -13.932   0.978
  638   2HG   ARG  86          HG1       ARG  86 183.104 -15.213   2.181
  639   1HD   ARG  86          HD2       ARG  86 184.557 -16.650   0.996
  640   2HD   ARG  86          HD1       ARG  86 184.500 -15.639  -0.447
  641    HE   ARG  86           HE       ARG  86 185.545 -14.145   1.692
  642   1HH1  ARG  86          HH11      ARG  86 186.406 -16.795  -0.408
  643   2HH1  ARG  86          HH12      ARG  86 188.107 -16.487  -0.306
  644   1HH2  ARG  86          HH21      ARG  86 187.781 -13.737   1.827
  645   2HH2  ARG  86          HH22      ARG  86 188.888 -14.751   0.963
  646    H    ASP  87           HN       ASP  87 178.719 -14.218  -0.441
  647    HA   ASP  87           HA       ASP  87 177.298 -16.766  -0.420
  648   1HB   ASP  87          HB2       ASP  87 176.533 -13.930  -0.879
  649   2HB   ASP  87          HB1       ASP  87 175.592 -15.166  -1.710
  650    H    THR  88           HN       THR  88 177.344 -14.329  -2.964
  651    HA   THR  88           HA       THR  88 178.312 -16.378  -4.840
  652    HB   THR  88           HB       THR  88 176.085 -16.309  -5.458
  653    HG1  THR  88           1HG      THR  88 177.232 -15.787  -7.290
  654   1HG2  THR  88          1HG2      THR  88 174.598 -14.517  -5.382
  655   2HG2  THR  88          2HG2      THR  88 175.896 -13.328  -5.277
  656   3HG2  THR  88          3HG2      THR  88 175.542 -14.371  -3.900
  657    H    LYS  89           HN       LYS  89 179.189 -15.466  -6.865
  658    HA   LYS  89           HA       LYS  89 180.771 -13.084  -6.264
  659   1HB   LYS  89          HB2       LYS  89 181.082 -15.422  -8.107
  660   2HB   LYS  89          HB1       LYS  89 181.955 -13.937  -8.431
  661   1HG   LYS  89          HG2       LYS  89 183.507 -14.485  -6.954
  662   2HG   LYS  89          HG1       LYS  89 182.289 -14.615  -5.684
  663   1HD   LYS  89          HD2       LYS  89 182.322 -16.876  -7.546
  664   2HD   LYS  89          HD1       LYS  89 183.814 -16.681  -6.625
  665   1HE   LYS  89          HE2       LYS  89 181.993 -16.335  -4.668
  666   2HE   LYS  89          HE1       LYS  89 181.107 -17.433  -5.725
  667   1HZ   LYS  89          HZ1       LYS  89 183.640 -17.886  -4.292
  668   2HZ   LYS  89          HZ2       LYS  89 183.287 -18.778  -5.684
  669   3HZ   LYS  89          HZ3       LYS  89 182.256 -18.857  -4.346
  670    H    ILE  90           HN       ILE  90 180.278 -11.186  -7.177
  671    HA   ILE  90           HA       ILE  90 178.889 -11.219  -9.773
  672    HB   ILE  90           HB       ILE  90 177.460  -9.384  -9.131
  673   1HG1  ILE  90          2HG1      ILE  90 178.723  -9.596  -6.388
  674   2HG1  ILE  90          1HG1      ILE  90 178.982  -8.283  -7.533
  675   1HG2  ILE  90          1HG2      ILE  90 177.132 -11.947  -8.368
  676   2HG2  ILE  90          2HG2      ILE  90 175.919 -10.689  -8.138
  677   3HG2  ILE  90          3HG2      ILE  90 176.993 -11.131  -6.811
  678   1HD1  ILE  90          HD11      ILE  90 177.205  -8.164  -5.552
  679   2HD1  ILE  90          HD12      ILE  90 176.183  -8.867  -6.805
  680   3HD1  ILE  90          HD13      ILE  90 176.989  -7.324  -7.088
  681    H    GLU  91           HN       GLU  91 179.296  -9.460 -11.151
  682    HA   GLU  91           HA       GLU  91 181.888  -8.534 -11.252
  683   1HB   GLU  91          HB2       GLU  91 179.551  -7.058 -12.447
  684   2HB   GLU  91          HB1       GLU  91 181.193  -7.163 -13.052
  685   1HG   GLU  91          HG2       GLU  91 180.721  -9.687 -13.259
  686   2HG   GLU  91          HG1       GLU  91 179.027  -9.211 -13.140
  687    H    VAL  92           HN       VAL  92 182.952  -6.731 -10.605
  688    HA   VAL  92           HA       VAL  92 182.241  -5.419  -8.281
  689    HB   VAL  92           HB       VAL  92 183.843  -3.537  -9.455
  690   1HG1  VAL  92          1HG1      VAL  92 184.650  -4.210  -7.462
  691   2HG1  VAL  92          2HG1      VAL  92 185.701  -5.207  -8.468
  692   3HG1  VAL  92          3HG1      VAL  92 184.249  -5.904  -7.748
  693   1HG2  VAL  92          1HG2      VAL  92 183.886  -5.002 -11.519
  694   2HG2  VAL  92          2HG2      VAL  92 184.814  -6.157 -10.563
  695   3HG2  VAL  92          3HG2      VAL  92 185.454  -4.540 -10.858
  696    H    ALA  93           HN       ALA  93 181.578  -4.490 -11.623
  697    HA   ALA  93           HA       ALA  93 180.653  -1.885 -11.145
  698   1HB   ALA  93          HB1       ALA  93 179.982  -1.875 -13.326
  699   2HB   ALA  93          HB2       ALA  93 179.319  -3.507 -13.245
  700   3HB   ALA  93          HB3       ALA  93 181.061  -3.269 -13.375
  701    H    GLN  94           HN       GLN  94 178.732  -4.849 -11.624
  702    HA   GLN  94           HA       GLN  94 176.285  -3.744 -10.790
  703   1HB   GLN  94          HB2       GLN  94 177.190  -6.223 -11.757
  704   2HB   GLN  94          HB1       GLN  94 176.466  -6.570 -10.193
  705   1HG   GLN  94          HG2       GLN  94 175.043  -4.923 -12.250
  706   2HG   GLN  94          HG1       GLN  94 174.979  -6.685 -12.263
  707   1HE2  GLN  94          1HE2      GLN  94 174.350  -3.850 -10.263
  708   2HE2  GLN  94          2HE2      GLN  94 173.077  -4.561  -9.337
  709    H    PHE  95           HN       PHE  95 179.011  -5.006  -9.070
  710    HA   PHE  95           HA       PHE  95 177.828  -5.590  -6.598
  711   1HB   PHE  95          HB2       PHE  95 180.181  -6.158  -7.353
  712   2HB   PHE  95          HB1       PHE  95 180.607  -4.487  -6.999
  713    HD1  PHE  95           HD1      PHE  95 181.372  -3.942  -4.891
  714    HD2  PHE  95           HD2      PHE  95 179.052  -7.463  -5.422
  715    HE1  PHE  95           HE1      PHE  95 181.761  -4.547  -2.537
  716    HE2  PHE  95           HE2      PHE  95 179.430  -8.077  -3.081
  717    HZ   PHE  95           HZ       PHE  95 180.789  -6.622  -1.627
  718    H    VAL  96           HN       VAL  96 179.610  -2.708  -7.589
  719    HA   VAL  96           HA       VAL  96 179.092  -1.136  -5.351
  720    HB   VAL  96           HB       VAL  96 179.369  -0.085  -8.169
  721   1HG1  VAL  96          1HG1      VAL  96 178.727   1.471  -6.284
  722   2HG1  VAL  96          2HG1      VAL  96 180.180   1.902  -7.187
  723   3HG1  VAL  96          3HG1      VAL  96 180.320   1.148  -5.598
  724   1HG2  VAL  96          1HG2      VAL  96 181.832  -0.114  -6.681
  725   2HG2  VAL  96          2HG2      VAL  96 181.476  -0.793  -8.269
  726   3HG2  VAL  96          3HG2      VAL  96 181.177  -1.746  -6.815
  727    H    LYS  97           HN       LYS  97 177.383  -1.222  -8.468
  728    HA   LYS  97           HA       LYS  97 175.395   0.622  -7.955
  729   1HB   LYS  97          HB2       LYS  97 175.387  -1.899  -9.600
  730   2HB   LYS  97          HB1       LYS  97 173.990  -0.833  -9.534
  731   1HG   LYS  97          HG2       LYS  97 174.910   0.638 -10.930
  732   2HG   LYS  97          HG1       LYS  97 176.466   0.585 -10.101
  733   1HD   LYS  97          HD2       LYS  97 176.526  -1.819 -11.273
  734   2HD   LYS  97          HD1       LYS  97 175.492  -0.971 -12.425
  735   1HE   LYS  97          HE2       LYS  97 177.416   0.870 -12.112
  736   2HE   LYS  97          HE1       LYS  97 178.356  -0.587 -11.793
  737   1HZ   LYS  97          HZ1       LYS  97 176.868   0.123 -14.251
  738   2HZ   LYS  97          HZ2       LYS  97 177.380  -1.458 -13.938
  739   3HZ   LYS  97          HZ3       LYS  97 178.518  -0.215 -14.086
  740    H    ASP  98           HN       ASP  98 175.529  -2.790  -6.991
  741    HA   ASP  98           HA       ASP  98 172.903  -2.898  -5.986
  742   1HB   ASP  98          HB2       ASP  98 175.288  -4.627  -5.814
  743   2HB   ASP  98          HB1       ASP  98 174.073  -4.839  -4.558
  744    H    LEU  99           HN       LEU  99 175.923  -2.141  -4.633
  745    HA   LEU  99           HA       LEU  99 175.256  -1.942  -1.933
  746   1HB   LEU  99          HB2       LEU  99 177.477  -1.721  -2.123
  747   2HB   LEU  99          HB1       LEU  99 177.299  -1.268  -3.812
  748    HG   LEU  99           HG       LEU  99 176.641   1.072  -2.490
  749   1HD1  LEU  99          HD11      LEU  99 177.413  -0.070  -0.376
  750   2HD1  LEU  99          HD12      LEU  99 178.202   1.460  -0.760
  751   3HD1  LEU  99          HD13      LEU  99 179.034  -0.064  -1.071
  752   1HD2  LEU  99          HD21      LEU  99 179.074   1.673  -3.078
  753   2HD2  LEU  99          HD22      LEU  99 177.987   1.191  -4.380
  754   3HD2  LEU  99          HD23      LEU  99 179.158   0.040  -3.738
  755    H    LEU 100           HN       LEU 100 174.933   0.243  -4.659
  756    HA   LEU 100           HA       LEU 100 174.009   2.518  -3.209
  757   1HB   LEU 100          HB2       LEU 100 174.910   2.983  -5.330
  758   2HB   LEU 100          HB1       LEU 100 174.022   1.682  -6.091
  759    HG   LEU 100           HG       LEU 100 171.918   3.014  -5.713
  760   1HD1  LEU 100          HD11      LEU 100 171.963   5.222  -5.027
  761   2HD1  LEU 100          HD12      LEU 100 173.692   5.389  -5.333
  762   3HD1  LEU 100          HD13      LEU 100 173.128   4.460  -3.944
  763   1HD2  LEU 100          HD21      LEU 100 172.269   3.395  -7.869
  764   2HD2  LEU 100          HD22      LEU 100 174.018   3.393  -7.643
  765   3HD2  LEU 100          HD23      LEU 100 173.100   4.882  -7.416
  766    H    LEU 101           HN       LEU 101 172.564  -0.261  -4.729
  767    HA   LEU 101           HA       LEU 101 169.888   0.456  -4.838
  768   1HB   LEU 101          HB2       LEU 101 170.517  -1.532  -5.887
  769   2HB   LEU 101          HB1       LEU 101 171.355  -2.128  -4.495
  770    HG   LEU 101           HG       LEU 101 169.061  -3.156  -5.297
  771   1HD1  LEU 101          HD11      LEU 101 169.137  -4.335  -3.387
  772   2HD1  LEU 101          HD12      LEU 101 169.158  -2.897  -2.367
  773   3HD1  LEU 101          HD13      LEU 101 170.645  -3.452  -3.141
  774   1HD2  LEU 101          HD21      LEU 101 168.114  -0.705  -4.740
  775   2HD2  LEU 101          HD22      LEU 101 167.887  -1.483  -3.173
  776   3HD2  LEU 101          HD23      LEU 101 167.149  -2.176  -4.617
  777    H    HIS 102           HN       HIS 102 171.285  -1.665  -2.411
  778    HA   HIS 102           HA       HIS 102 169.121  -1.394  -0.614
  779   1HB   HIS 102          HB2       HIS 102 170.535  -3.339  -0.501
  780   2HB   HIS 102          HB1       HIS 102 171.946  -2.351  -0.133
  781    HD2  HIS 102           HD2      HIS 102 172.346  -1.792   2.483
  782    HE1  HIS 102           HE1      HIS 102 168.727  -3.469   3.897
  783    HE2  HIS 102           HE2      HIS 102 171.021  -2.614   4.557
  784    H    LEU 103           HN       LEU 103 172.278   0.268  -0.676
  785    HA   LEU 103           HA       LEU 103 172.054   1.542   1.785
  786   1HB   LEU 103          HB2       LEU 103 173.469   2.191  -0.758
  787   2HB   LEU 103          HB1       LEU 103 173.491   3.330   0.569
  788    HG   LEU 103           HG       LEU 103 174.399   0.471   0.831
  789   1HD1  LEU 103          HD11      LEU 103 176.003   2.954   0.269
  790   2HD1  LEU 103          HD12      LEU 103 175.822   1.542  -0.772
  791   3HD1  LEU 103          HD13      LEU 103 176.686   1.404   0.760
  792   1HD2  LEU 103          HD21      LEU 103 174.880   0.928   2.975
  793   2HD2  LEU 103          HD22      LEU 103 173.704   2.228   2.780
  794   3HD2  LEU 103          HD23      LEU 103 175.427   2.565   2.610
  795    H    LYS 104           HN       LYS 104 171.156   2.822  -1.430
  796    HA   LYS 104           HA       LYS 104 170.086   5.230  -0.444
  797   1HB   LYS 104          HB2       LYS 104 169.307   5.641  -2.618
  798   2HB   LYS 104          HB1       LYS 104 170.742   4.654  -2.849
  799   1HG   LYS 104          HG2       LYS 104 168.983   2.695  -2.843
  800   2HG   LYS 104          HG1       LYS 104 167.886   3.993  -3.316
  801   1HD   LYS 104          HD2       LYS 104 170.487   3.807  -4.726
  802   2HD   LYS 104          HD1       LYS 104 169.272   2.582  -5.095
  803   1HE   LYS 104          HE2       LYS 104 167.766   4.823  -5.195
  804   2HE   LYS 104          HE1       LYS 104 169.322   5.462  -5.722
  805   1HZ   LYS 104          HZ1       LYS 104 167.578   4.338  -7.370
  806   2HZ   LYS 104          HZ2       LYS 104 168.477   2.967  -6.952
  807   3HZ   LYS 104          HZ3       LYS 104 169.248   4.306  -7.639
  808    H    LYS 105           HN       LYS 105 168.620   2.055  -1.000
  809    HA   LYS 105           HA       LYS 105 165.954   2.911  -0.588
  810   1HB   LYS 105          HB2       LYS 105 167.364   0.429  -1.052
  811   2HB   LYS 105          HB1       LYS 105 166.089   0.215   0.141
  812   1HG   LYS 105          HG2       LYS 105 164.469   0.448  -1.380
  813   2HG   LYS 105          HG1       LYS 105 165.291   1.803  -2.159
  814   1HD   LYS 105          HD2       LYS 105 166.736   0.283  -3.362
  815   2HD   LYS 105          HD1       LYS 105 166.030  -1.099  -2.521
  816   1HE   LYS 105          HE2       LYS 105 164.937  -1.098  -4.576
  817   2HE   LYS 105          HE1       LYS 105 163.796  -0.289  -3.503
  818   1HZ   LYS 105          HZ1       LYS 105 165.694   1.428  -4.881
  819   2HZ   LYS 105          HZ2       LYS 105 164.051   1.667  -4.562
  820   3HZ   LYS 105          HZ3       LYS 105 164.526   0.688  -5.856
  821    H    LEU 106           HN       LEU 106 168.529   2.104   1.590
  822    HA   LEU 106           HA       LEU 106 166.775   1.738   3.858
  823   1HB   LEU 106          HB2       LEU 106 169.160   0.699   3.346
  824   2HB   LEU 106          HB1       LEU 106 169.704   2.145   4.175
  825    HG   LEU 106           HG       LEU 106 169.595   0.367   5.771
  826   1HD1  LEU 106          HD11      LEU 106 168.714   2.689   6.356
  827   2HD1  LEU 106          HD12      LEU 106 168.291   1.363   7.439
  828   3HD1  LEU 106          HD13      LEU 106 167.108   1.965   6.278
  829   1HD2  LEU 106          HD21      LEU 106 167.972  -1.195   5.921
  830   2HD2  LEU 106          HD22      LEU 106 167.673  -0.728   4.247
  831   3HD2  LEU 106          HD23      LEU 106 166.685  -0.051   5.541
  832    H    PHE 107           HN       PHE 107 169.164   4.098   2.792
  833    HA   PHE 107           HA       PHE 107 168.762   5.882   4.964
  834   1HB   PHE 107          HB2       PHE 107 170.584   5.662   2.894
  835   2HB   PHE 107          HB1       PHE 107 169.694   7.123   2.484
  836    HD1  PHE 107           HD1      PHE 107 172.586   6.157   3.877
  837    HD2  PHE 107           HD2      PHE 107 169.164   8.466   4.906
  838    HE1  PHE 107           HE1      PHE 107 173.931   7.414   5.509
  839    HE2  PHE 107           HE2      PHE 107 170.503   9.729   6.540
  840    HZ   PHE 107           HZ       PHE 107 172.889   9.202   6.843
  841    H    ARG 108           HN       ARG 108 167.116   5.309   1.985
  842    HA   ARG 108           HA       ARG 108 165.726   7.867   2.058
  843   1HB   ARG 108          HB2       ARG 108 166.491   6.840  -0.089
  844   2HB   ARG 108          HB1       ARG 108 165.325   5.549   0.165
  845   1HG   ARG 108          HG2       ARG 108 163.552   6.853  -0.372
  846   2HG   ARG 108          HG1       ARG 108 164.299   8.322   0.261
  847   1HD   ARG 108          HD2       ARG 108 165.354   8.792  -1.694
  848   2HD   ARG 108          HD1       ARG 108 165.571   7.093  -2.110
  849    HE   ARG 108           HE       ARG 108 163.374   8.791  -2.843
  850   1HH1  ARG 108          HH11      ARG 108 164.376   5.491  -2.311
  851   2HH1  ARG 108          HH12      ARG 108 163.150   4.822  -3.334
  852   1HH2  ARG 108          HH21      ARG 108 161.761   7.914  -4.189
  853   2HH2  ARG 108          HH22      ARG 108 161.665   6.197  -4.401
  854    H    GLU 109           HN       GLU 109 164.929   4.405   2.327
  855    HA   GLU 109           HA       GLU 109 162.164   4.920   2.872
  856   1HB   GLU 109          HB2       GLU 109 163.807   2.422   3.305
  857   2HB   GLU 109          HB1       GLU 109 162.058   2.514   3.447
  858   1HG   GLU 109          HG2       GLU 109 163.245   3.448   0.907
  859   2HG   GLU 109          HG1       GLU 109 163.291   1.716   1.230
  860    H    GLY 110           HN       GLY 110 165.007   4.930   4.794
  861   1HA   GLY 110          HA2       GLY 110 163.980   4.157   7.286
  862   2HA   GLY 110          HA1       GLY 110 165.362   5.209   7.038
  863    H    ARG 111           HN       ARG 111 165.131   6.962   8.233
  864    HA   ARG 111           HA       ARG 111 162.485   8.085   8.688
  865   1HB   ARG 111          HB2       ARG 111 165.141   8.299  10.057
  866   2HB   ARG 111          HB1       ARG 111 163.917   9.527  10.324
  867   1HG   ARG 111          HG2       ARG 111 162.743   6.935  10.604
  868   2HG   ARG 111          HG1       ARG 111 164.190   7.049  11.608
  869   1HD   ARG 111          HD2       ARG 111 162.460   9.410  11.697
  870   2HD   ARG 111          HD1       ARG 111 161.709   7.940  12.316
  871    HE   ARG 111           HE       ARG 111 163.848   9.436  13.519
  872   1HH1  ARG 111          HH11      ARG 111 162.316   6.308  13.302
  873   2HH1  ARG 111          HH12      ARG 111 162.895   5.778  14.845
  874   1HH2  ARG 111          HH21      ARG 111 164.611   8.741  15.549
  875   2HH2  ARG 111          HH22      ARG 111 164.197   7.159  16.122
  876    H    PHE 112           HN       PHE 112 163.404   8.443   6.157
  877    HA   PHE 112           HA       PHE 112 164.792  10.841   5.669
  878   1HB   PHE 112          HB2       PHE 112 164.298  10.474   3.455
  879   2HB   PHE 112          HB1       PHE 112 164.095   8.858   4.121
  880    HD1  PHE 112           HD1      PHE 112 161.938   7.871   4.370
  881    HD2  PHE 112           HD2      PHE 112 162.425  11.767   2.788
  882    HE1  PHE 112           HE1      PHE 112 159.615   7.801   3.527
  883    HE2  PHE 112           HE2      PHE 112 160.106  11.729   1.927
  884    HZ   PHE 112           HZ       PHE 112 158.698   9.737   2.302
  885    H    ASN 113           HN       ASN 113 161.389  10.092   6.026
  886    HA   ASN 113           HA       ASN 113 160.663  12.909   5.763
  887   1HB   ASN 113          HB2       ASN 113 158.334  12.089   5.868
  888   2HB   ASN 113          HB1       ASN 113 159.260  11.288   4.602
  889   1HD2  ASN 113          HD21      ASN 113 157.572   9.677   4.736
  890   2HD2  ASN 113          HD22      ASN 113 157.675   8.439   5.937
  Start of MODEL   14
    1   1H    GLY   1          HT1       GLY   1 169.445  -8.860  21.010
    2   2H    GLY   1          HT2       GLY   1 170.130 -10.237  20.306
    3   3H    GLY   1          HT3       GLY   1 169.265 -10.369  21.754
    4   1HA   GLY   1          HA1       GLY   1 167.280  -9.478  20.474
    5   2HA   GLY   1          HA2       GLY   1 168.227  -9.834  19.037
    6    H    GLY   2           HN       GLY   2 169.481 -12.178  20.402
    7   1HA   GLY   2          HA2       GLY   2 168.771 -14.326  21.188
    8   2HA   GLY   2          HA1       GLY   2 167.159 -13.975  20.581
    9    HA   PRO   3           HA       PRO   3 170.084 -16.509  17.604
   10   1HB   PRO   3          HB2       PRO   3 168.112 -18.614  18.345
   11   2HB   PRO   3          HB1       PRO   3 169.843 -18.759  18.021
   12   1HG   PRO   3          HG2       PRO   3 168.917 -18.862  20.515
   13   2HG   PRO   3          HG1       PRO   3 170.436 -18.026  20.140
   14   1HD   PRO   3          HD2       PRO   3 167.743 -16.889  20.742
   15   2HD   PRO   3          HD1       PRO   3 169.352 -16.273  21.172
   16    H    VAL   4           HN       VAL   4 166.638 -16.239  18.209
   17    HA   VAL   4           HA       VAL   4 165.533 -17.092  15.870
   18    HB   VAL   4           HB       VAL   4 164.656 -14.591  17.310
   19   1HG1  VAL   4          1HG1      VAL   4 162.513 -14.981  16.413
   20   2HG1  VAL   4          2HG1      VAL   4 162.946 -16.604  15.875
   21   3HG1  VAL   4          3HG1      VAL   4 163.632 -15.196  15.066
   22   1HG2  VAL   4          1HG2      VAL   4 164.293 -17.490  17.984
   23   2HG2  VAL   4          2HG2      VAL   4 163.124 -16.276  18.504
   24   3HG2  VAL   4          3HG2      VAL   4 164.804 -16.163  19.027
   25    HA   PRO   5           HA       PRO   5 167.204 -14.371  12.770
   26   1HB   PRO   5          HB2       PRO   5 165.494 -14.941  10.751
   27   2HB   PRO   5          HB1       PRO   5 166.761 -16.059  11.270
   28   1HG   PRO   5          HG2       PRO   5 163.844 -16.055  11.948
   29   2HG   PRO   5          HG1       PRO   5 164.888 -17.419  11.506
   30   1HD   PRO   5          HD2       PRO   5 164.219 -16.860  14.073
   31   2HD   PRO   5          HD1       PRO   5 165.773 -17.591  13.626
   32    HA   PRO   6           HA       PRO   6 164.267 -10.983  13.516
   33   1HB   PRO   6          HB2       PRO   6 166.031  -8.975  13.188
   34   2HB   PRO   6          HB1       PRO   6 165.969  -9.935  14.671
   35   1HG   PRO   6          HG2       PRO   6 167.839 -10.164  12.343
   36   2HG   PRO   6          HG1       PRO   6 168.199 -10.239  14.078
   37   1HD   PRO   6          HD2       PRO   6 167.956 -12.452  12.505
   38   2HD   PRO   6          HD1       PRO   6 167.575 -12.443  14.238
   39    H    SER   7           HN       SER   7 163.061 -11.345  11.609
   40    HA   SER   7           HA       SER   7 163.954 -10.836   9.002
   41   1HB   SER   7          HB2       SER   7 161.802 -12.028   9.795
   42   2HB   SER   7          HB1       SER   7 161.099 -10.412   9.862
   43    HG   SER   7           HG       SER   7 161.764 -11.966   7.684
   44    H    THR   8           HN       THR   8 162.721  -8.721  11.490
   45    HA   THR   8           HA       THR   8 162.061  -6.482   9.965
   46    HB   THR   8           HB       THR   8 163.238  -6.562  12.751
   47    HG1  THR   8           1HG      THR   8 160.526  -6.507  11.930
   48   1HG2  THR   8          1HG2      THR   8 161.704  -4.416  11.317
   49   2HG2  THR   8          2HG2      THR   8 163.310  -4.308  12.038
   50   3HG2  THR   8          3HG2      THR   8 161.889  -4.481  13.069
   51    H    ALA   9           HN       ALA   9 165.166  -7.699  11.018
   52    HA   ALA   9           HA       ALA   9 166.747  -5.435  10.651
   53   1HB   ALA   9          HB1       ALA   9 168.606  -7.063  10.245
   54   2HB   ALA   9          HB2       ALA   9 167.402  -8.352  10.279
   55   3HB   ALA   9          HB3       ALA   9 167.674  -7.361  11.712
   56    H    LEU  10           HN       LEU  10 165.534  -7.781   8.326
   57    HA   LEU  10           HA       LEU  10 167.068  -6.808   6.126
   58   1HB   LEU  10          HB2       LEU  10 166.149  -9.095   6.223
   59   2HB   LEU  10          HB1       LEU  10 164.526  -8.439   6.145
   60    HG   LEU  10           HG       LEU  10 165.481  -9.394   3.994
   61   1HD1  LEU  10          HD11      LEU  10 163.569  -7.664   4.322
   62   2HD1  LEU  10          HD12      LEU  10 164.216  -7.964   2.709
   63   3HD1  LEU  10          HD13      LEU  10 164.721  -6.534   3.610
   64   1HD2  LEU  10          HD21      LEU  10 167.720  -8.491   4.135
   65   2HD2  LEU  10          HD22      LEU  10 167.087  -6.845   4.115
   66   3HD2  LEU  10          HD23      LEU  10 166.916  -7.873   2.692
   67    H    ARG  11           HN       ARG  11 163.634  -6.464   7.023
   68    HA   ARG  11           HA       ARG  11 162.894  -4.752   4.958
   69   1HB   ARG  11          HB2       ARG  11 160.929  -4.352   6.144
   70   2HB   ARG  11          HB1       ARG  11 161.443  -5.915   6.761
   71   1HG   ARG  11          HG2       ARG  11 161.256  -5.083   8.803
   72   2HG   ARG  11          HG1       ARG  11 162.637  -4.045   8.451
   73   1HD   ARG  11          HD2       ARG  11 160.750  -2.738   9.268
   74   2HD   ARG  11          HD1       ARG  11 161.130  -2.322   7.597
   75    HE   ARG  11           HE       ARG  11 159.061  -3.073   6.984
   76   1HH1  ARG  11          HH11      ARG  11 159.808  -4.333  10.151
   77   2HH1  ARG  11          HH12      ARG  11 158.230  -5.002  10.395
   78   1HH2  ARG  11          HH21      ARG  11 156.984  -3.952   7.303
   79   2HH2  ARG  11          HH22      ARG  11 156.626  -4.786   8.778
   80    H    GLU  12           HN       GLU  12 164.792  -4.164   7.776
   81    HA   GLU  12           HA       GLU  12 164.464  -1.363   7.960
   82   1HB   GLU  12          HB2       GLU  12 166.430  -3.352   8.992
   83   2HB   GLU  12          HB1       GLU  12 166.874  -1.651   9.035
   84   1HG   GLU  12          HG2       GLU  12 164.405  -1.524  10.098
   85   2HG   GLU  12          HG1       GLU  12 164.895  -3.135  10.623
   86    H    LEU  13           HN       LEU  13 167.098  -3.317   6.508
   87    HA   LEU  13           HA       LEU  13 168.396  -1.051   5.389
   88   1HB   LEU  13          HB2       LEU  13 168.693  -3.979   5.307
   89   2HB   LEU  13          HB1       LEU  13 169.268  -3.143   3.876
   90    HG   LEU  13           HG       LEU  13 170.237  -1.779   6.201
   91   1HD1  LEU  13          HD11      LEU  13 170.521  -3.451   7.644
   92   2HD1  LEU  13          HD12      LEU  13 171.787  -4.019   6.556
   93   3HD1  LEU  13          HD13      LEU  13 170.157  -4.678   6.431
   94   1HD2  LEU  13          HD21      LEU  13 172.393  -2.200   5.167
   95   2HD2  LEU  13          HD22      LEU  13 171.216  -1.706   3.951
   96   3HD2  LEU  13          HD23      LEU  13 171.668  -3.404   4.102
   97    H    ILE  14           HN       ILE  14 165.876  -3.198   4.299
   98    HA   ILE  14           HA       ILE  14 166.006  -2.566   1.546
   99    HB   ILE  14           HB       ILE  14 164.157  -4.014   3.318
  100   1HG1  ILE  14          2HG1      ILE  14 164.187  -5.610   1.462
  101   2HG1  ILE  14          1HG1      ILE  14 165.023  -4.436   0.450
  102   1HG2  ILE  14          1HG2      ILE  14 162.378  -4.044   1.504
  103   2HG2  ILE  14          2HG2      ILE  14 163.143  -2.583   0.877
  104   3HG2  ILE  14          3HG2      ILE  14 162.468  -2.596   2.506
  105   1HD1  ILE  14          HD11      ILE  14 166.377  -6.308   1.575
  106   2HD1  ILE  14          HD12      ILE  14 166.215  -5.336   3.038
  107   3HD1  ILE  14          HD13      ILE  14 167.010  -4.663   1.614
  108    H    GLU  15           HN       GLU  15 163.782  -1.423   4.098
  109    HA   GLU  15           HA       GLU  15 162.495   0.466   2.425
  110   1HB   GLU  15          HB2       GLU  15 162.624   0.544   5.437
  111   2HB   GLU  15          HB1       GLU  15 161.383   1.235   4.401
  112   1HG   GLU  15          HG2       GLU  15 161.844  -1.678   4.197
  113   2HG   GLU  15          HG1       GLU  15 161.080  -1.078   5.668
  114    H    GLU  16           HN       GLU  16 165.225   0.716   4.639
  115    HA   GLU  16           HA       GLU  16 165.382   3.538   4.662
  116   1HB   GLU  16          HB2       GLU  16 166.465   1.759   6.198
  117   2HB   GLU  16          HB1       GLU  16 167.736   1.717   4.995
  118   1HG   GLU  16          HG2       GLU  16 168.563   3.717   5.598
  119   2HG   GLU  16          HG1       GLU  16 166.969   4.394   5.926
  120    H    LEU  17           HN       LEU  17 167.082   1.064   2.794
  121    HA   LEU  17           HA       LEU  17 168.636   2.911   1.299
  122   1HB   LEU  17          HB2       LEU  17 167.966   0.012   0.799
  123   2HB   LEU  17          HB1       LEU  17 169.149   0.931  -0.109
  124    HG   LEU  17           HG       LEU  17 169.324   0.422   2.857
  125   1HD1  LEU  17          HD11      LEU  17 169.913  -1.300   0.635
  126   2HD1  LEU  17          HD12      LEU  17 170.032  -1.620   2.365
  127   3HD1  LEU  17          HD13      LEU  17 171.390  -0.892   1.507
  128   1HD2  LEU  17          HD21      LEU  17 170.564   2.343   2.435
  129   2HD2  LEU  17          HD22      LEU  17 171.090   1.774   0.851
  130   3HD2  LEU  17          HD23      LEU  17 171.762   1.054   2.314
  131    H    VAL  18           HN       VAL  18 165.521   1.410   0.932
  132    HA   VAL  18           HA       VAL  18 165.192   2.075  -1.793
  133    HB   VAL  18           HB       VAL  18 163.813   0.480  -0.077
  134   1HG1  VAL  18          1HG1      VAL  18 161.819   2.614  -0.713
  135   2HG1  VAL  18          2HG1      VAL  18 162.707   2.607   0.810
  136   3HG1  VAL  18          3HG1      VAL  18 161.671   1.244   0.389
  137   1HG2  VAL  18          1HG2      VAL  18 162.261   1.333  -2.418
  138   2HG2  VAL  18          2HG2      VAL  18 162.817  -0.272  -1.943
  139   3HG2  VAL  18          3HG2      VAL  18 163.926   0.847  -2.736
  140    H    ASN  19           HN       ASN  19 164.594   3.653   1.233
  141    HA   ASN  19           HA       ASN  19 163.011   5.794   0.259
  142   1HB   ASN  19          HB2       ASN  19 163.104   5.141   2.646
  143   2HB   ASN  19          HB1       ASN  19 164.771   5.704   2.719
  144   1HD2  ASN  19          HD21      ASN  19 165.179   7.825   2.986
  145   2HD2  ASN  19          HD22      ASN  19 163.960   9.039   3.146
  146    H    ILE  20           HN       ILE  20 166.497   5.604   1.100
  147    HA   ILE  20           HA       ILE  20 167.144   8.203   0.343
  148    HB   ILE  20           HB       ILE  20 169.429   7.435   0.223
  149   1HG1  ILE  20          2HG1      ILE  20 168.196   4.700   0.221
  150   2HG1  ILE  20          1HG1      ILE  20 169.329   5.379  -0.949
  151   1HG2  ILE  20          1HG2      ILE  20 169.638   6.523   2.485
  152   2HG2  ILE  20          2HG2      ILE  20 167.911   6.167   2.482
  153   3HG2  ILE  20          3HG2      ILE  20 168.467   7.839   2.408
  154   1HD1  ILE  20          HD11      ILE  20 170.999   5.438   0.975
  155   2HD1  ILE  20          HD12      ILE  20 170.576   3.861   0.308
  156   3HD1  ILE  20          HD13      ILE  20 169.866   4.394   1.831
  157    H    THR  21           HN       THR  21 167.224   5.192  -1.532
  158    HA   THR  21           HA       THR  21 168.195   6.425  -3.909
  159    HB   THR  21           HB       THR  21 168.499   4.031  -3.472
  160    HG1  THR  21           1HG      THR  21 168.176   4.980  -5.692
  161   1HG2  THR  21          1HG2      THR  21 165.714   3.395  -4.234
  162   2HG2  THR  21          2HG2      THR  21 166.020   3.870  -2.564
  163   3HG2  THR  21          3HG2      THR  21 166.863   2.484  -3.255
  164    H    GLN  22           HN       GLN  22 165.027   5.938  -2.547
  165    HA   GLN  22           HA       GLN  22 163.539   6.314  -4.936
  166   1HB   GLN  22          HB2       GLN  22 162.939   6.259  -2.029
  167   2HB   GLN  22          HB1       GLN  22 161.776   7.075  -3.064
  168   1HG   GLN  22          HG2       GLN  22 162.647   4.445  -4.025
  169   2HG   GLN  22          HG1       GLN  22 161.755   4.429  -2.505
  170   1HE2  GLN  22          1HE2      GLN  22 159.612   4.551  -2.576
  171   2HE2  GLN  22          2HE2      GLN  22 158.675   4.925  -3.978
  172    H    ASN  23           HN       ASN  23 165.048   8.486  -2.685
  173    HA   ASN  23           HA       ASN  23 163.611  10.817  -3.043
  174   1HB   ASN  23          HB2       ASN  23 166.416  10.167  -2.339
  175   2HB   ASN  23          HB1       ASN  23 166.111  11.816  -2.876
  176   1HD2  ASN  23          HD21      ASN  23 165.424   9.414  -0.455
  177   2HD2  ASN  23          HD22      ASN  23 164.774  10.499   0.722
  178    H    GLN  24           HN       GLN  24 162.854  11.131  -5.113
  179    HA   GLN  24           HA       GLN  24 162.852  11.537  -7.347
  180   1HB   GLN  24          HB2       GLN  24 165.070  13.392  -7.321
  181   2HB   GLN  24          HB1       GLN  24 163.357  13.679  -7.541
  182   1HG   GLN  24          HG2       GLN  24 163.189  14.592  -5.542
  183   2HG   GLN  24          HG1       GLN  24 163.875  13.165  -4.777
  184   1HE2  GLN  24          1HE2      GLN  24 164.745  16.126  -6.487
  185   2HE2  GLN  24          2HE2      GLN  24 166.248  16.369  -5.670
  186    H    LYS  25           HN       LYS  25 164.740  12.357  -9.144
  187    HA   LYS  25           HA       LYS  25 166.327   9.914  -9.461
  188   1HB   LYS  25          HB2       LYS  25 165.119  11.886 -11.343
  189   2HB   LYS  25          HB1       LYS  25 166.586  11.060 -11.848
  190   1HG   LYS  25          HG2       LYS  25 165.069   9.599 -12.671
  191   2HG   LYS  25          HG1       LYS  25 165.209   8.939 -11.041
  192   1HD   LYS  25          HD2       LYS  25 163.228  11.092 -11.360
  193   2HD   LYS  25          HD1       LYS  25 162.863   9.599 -12.227
  194   1HE   LYS  25          HE2       LYS  25 163.535   8.520  -9.906
  195   2HE   LYS  25          HE1       LYS  25 163.060  10.108  -9.304
  196   1HZ   LYS  25          HZ1       LYS  25 160.989   9.619 -10.830
  197   2HZ   LYS  25          HZ2       LYS  25 161.065   9.057  -9.237
  198   3HZ   LYS  25          HZ3       LYS  25 161.423   8.014 -10.519
  199    H    ALA  26           HN       ALA  26 166.585  13.297  -8.882
  200    HA   ALA  26           HA       ALA  26 169.131  13.845  -9.882
  201   1HB   ALA  26          HB1       ALA  26 168.809  15.858  -8.963
  202   2HB   ALA  26          HB2       ALA  26 168.526  15.181  -7.359
  203   3HB   ALA  26          HB3       ALA  26 167.209  15.257  -8.530
  204    HA   PRO  27           HA       PRO  27 171.916  12.003  -6.995
  205   1HB   PRO  27          HB2       PRO  27 173.919  13.665  -6.810
  206   2HB   PRO  27          HB1       PRO  27 173.429  13.081  -8.413
  207   1HG   PRO  27          HG2       PRO  27 172.595  15.568  -7.007
  208   2HG   PRO  27          HG1       PRO  27 173.349  15.458  -8.610
  209   1HD   PRO  27          HD2       PRO  27 170.675  15.658  -8.292
  210   2HD   PRO  27          HD1       PRO  27 171.372  14.646  -9.576
  211    H    LEU  28           HN       LEU  28 173.323  12.445  -4.968
  212    HA   LEU  28           HA       LEU  28 171.545  13.271  -2.887
  213   1HB   LEU  28          HB2       LEU  28 173.382  11.437  -2.860
  214   2HB   LEU  28          HB1       LEU  28 174.473  12.759  -2.493
  215    HG   LEU  28           HG       LEU  28 173.233  13.266  -0.461
  216   1HD1  LEU  28          HD11      LEU  28 171.362  11.215  -1.550
  217   2HD1  LEU  28          HD12      LEU  28 171.014  12.780  -0.814
  218   3HD1  LEU  28          HD13      LEU  28 171.509  11.421   0.196
  219   1HD2  LEU  28          HD21      LEU  28 173.653  10.302  -0.424
  220   2HD2  LEU  28          HD22      LEU  28 174.021  11.498   0.819
  221   3HD2  LEU  28          HD23      LEU  28 175.014  11.404  -0.635
  222    H    CYS  29           HN       CYS  29 171.559  15.086  -1.654
  223    HA   CYS  29           HA       CYS  29 171.983  17.221  -1.001
  224   1HB   CYS  29          HB2       CYS  29 174.634  16.144  -1.649
  225   2HB   CYS  29          HB1       CYS  29 174.535  17.897  -1.778
  226    H    ASN  30           HN       ASN  30 174.083  17.146  -3.872
  227    HA   ASN  30           HA       ASN  30 172.166  18.569  -5.473
  228   1HB   ASN  30          HB2       ASN  30 173.545  20.579  -5.802
  229   2HB   ASN  30          HB1       ASN  30 173.037  20.413  -4.124
  230   1HD2  ASN  30          HD21      ASN  30 175.497  21.402  -5.875
  231   2HD2  ASN  30          HD22      ASN  30 176.830  20.958  -4.872
  232    H    GLY  31           HN       GLY  31 175.553  17.668  -5.085
  233   1HA   GLY  31          HA2       GLY  31 175.765  15.992  -7.246
  234   2HA   GLY  31          HA1       GLY  31 176.077  17.593  -7.901
  235    H    SER  32           HN       SER  32 177.092  15.414  -5.285
  236    HA   SER  32           HA       SER  32 179.823  16.481  -5.591
  237   1HB   SER  32          HB2       SER  32 178.551  15.396  -3.068
  238   2HB   SER  32          HB1       SER  32 180.194  16.021  -3.216
  239    HG   SER  32           HG       SER  32 177.751  17.394  -3.233
  240    H    MET  33           HN       MET  33 180.983  15.006  -6.671
  241    HA   MET  33           HA       MET  33 180.374  12.282  -6.849
  242   1HB   MET  33          HB2       MET  33 183.097  13.505  -7.259
  243   2HB   MET  33          HB1       MET  33 182.439  12.065  -8.007
  244   1HG   MET  33          HG2       MET  33 180.752  13.497  -9.139
  245   2HG   MET  33          HG1       MET  33 181.603  14.900  -8.500
  246   1HE   MET  33          HE1       MET  33 182.181  11.563  -9.925
  247   2HE   MET  33          HE2       MET  33 183.876  11.693 -10.396
  248   3HE   MET  33          HE3       MET  33 182.607  11.902 -11.603
  249    H    VAL  34           HN       VAL  34 181.723  10.488  -6.126
  250    HA   VAL  34           HA       VAL  34 183.149  10.977  -3.612
  251    HB   VAL  34           HB       VAL  34 182.032   8.713  -2.868
  252   1HG1  VAL  34          1HG1      VAL  34 180.140  10.968  -2.607
  253   2HG1  VAL  34          2HG1      VAL  34 181.797  11.260  -2.078
  254   3HG1  VAL  34          3HG1      VAL  34 180.864   9.942  -1.369
  255   1HG2  VAL  34          1HG2      VAL  34 179.605   8.727  -3.562
  256   2HG2  VAL  34          2HG2      VAL  34 180.751   8.203  -4.796
  257   3HG2  VAL  34          3HG2      VAL  34 180.068   9.827  -4.859
  258    H    TRP  35           HN       TRP  35 184.008   8.651  -2.862
  259    HA   TRP  35           HA       TRP  35 185.911   7.894  -4.842
  260   1HB   TRP  35          HB2       TRP  35 185.234   6.813  -2.109
  261   2HB   TRP  35          HB1       TRP  35 186.526   6.156  -3.094
  262    HD1  TRP  35           HD1      TRP  35 186.327   8.145  -0.268
  263    HE1  TRP  35           HE1      TRP  35 188.177   9.901  -0.128
  264    HE3  TRP  35           HE3      TRP  35 187.835   8.144  -5.152
  265    HZ2  TRP  35           HZ2      TRP  35 190.044  11.151  -1.844
  266    HZ3  TRP  35           HZ3      TRP  35 189.661   9.652  -5.821
  267    HH2  TRP  35           HH2      TRP  35 190.742  11.124  -4.200
  268    H    SER  36           HN       SER  36 183.043   6.417  -3.511
  269    HA   SER  36           HA       SER  36 181.573   5.090  -4.847
  270   1HB   SER  36          HB2       SER  36 183.192   4.927  -6.699
  271   2HB   SER  36          HB1       SER  36 184.123   3.797  -5.729
  272    HG   SER  36           HG       SER  36 182.878   2.296  -6.490
  273    H    ILE  37           HN       ILE  37 181.024   2.741  -4.438
  274    HA   ILE  37           HA       ILE  37 181.737   2.074  -1.757
  275    HB   ILE  37           HB       ILE  37 179.884   0.687  -3.691
  276   1HG1  ILE  37          2HG1      ILE  37 179.310   3.092  -3.252
  277   2HG1  ILE  37          1HG1      ILE  37 178.089   1.953  -2.692
  278   1HG2  ILE  37          1HG2      ILE  37 180.373  -0.788  -2.001
  279   2HG2  ILE  37          2HG2      ILE  37 178.862  -0.035  -1.494
  280   3HG2  ILE  37          3HG2      ILE  37 180.389   0.473  -0.776
  281   1HD1  ILE  37          HD11      ILE  37 180.148   3.338  -0.989
  282   2HD1  ILE  37          HD12      ILE  37 178.971   2.159  -0.412
  283   3HD1  ILE  37          HD13      ILE  37 178.425   3.705  -1.064
  284    H    ASN  38           HN       ASN  38 182.230  -0.175  -1.201
  285    HA   ASN  38           HA       ASN  38 184.045  -1.407  -3.163
  286   1HB   ASN  38          HB2       ASN  38 184.755  -0.488  -0.725
  287   2HB   ASN  38          HB1       ASN  38 184.285  -2.129  -0.295
  288   1HD2  ASN  38          HD21      ASN  38 186.032  -0.564  -2.962
  289   2HD2  ASN  38          HD22      ASN  38 187.378  -1.646  -2.938
  290    H    LEU  39           HN       LEU  39 181.448  -1.968  -3.460
  291    HA   LEU  39           HA       LEU  39 180.081  -3.862  -2.135
  292   1HB   LEU  39          HB2       LEU  39 180.462  -4.020  -5.115
  293   2HB   LEU  39          HB1       LEU  39 179.060  -4.518  -4.189
  294    HG   LEU  39           HG       LEU  39 179.987  -1.662  -4.523
  295   1HD1  LEU  39          HD11      LEU  39 177.596  -1.734  -5.704
  296   2HD1  LEU  39          HD12      LEU  39 178.137  -3.376  -6.055
  297   3HD1  LEU  39          HD13      LEU  39 179.108  -1.999  -6.574
  298   1HD2  LEU  39          HD21      LEU  39 178.306  -0.995  -3.158
  299   2HD2  LEU  39          HD22      LEU  39 178.601  -2.577  -2.437
  300   3HD2  LEU  39          HD23      LEU  39 177.273  -2.360  -3.578
  301    H    THR  40           HN       THR  40 183.120  -4.396  -3.664
  302    HA   THR  40           HA       THR  40 183.049  -7.137  -4.141
  303    HB   THR  40           HB       THR  40 185.484  -7.072  -4.014
  304    HG1  THR  40           1HG      THR  40 186.537  -5.549  -2.973
  305   1HG2  THR  40          1HG2      THR  40 184.243  -5.910  -5.927
  306   2HG2  THR  40          2HG2      THR  40 185.953  -5.546  -5.696
  307   3HG2  THR  40          3HG2      THR  40 184.727  -4.408  -5.139
  308    H    ALA  41           HN       ALA  41 184.688  -5.644  -1.345
  309    HA   ALA  41           HA       ALA  41 183.718  -7.883   0.305
  310   1HB   ALA  41          HB1       ALA  41 186.507  -6.772   0.143
  311   2HB   ALA  41          HB2       ALA  41 185.972  -8.434  -0.103
  312   3HB   ALA  41          HB3       ALA  41 185.944  -7.729   1.513
  313    H    GLY  42           HN       GLY  42 185.817  -5.171   1.199
  314   1HA   GLY  42          HA2       GLY  42 184.110  -4.527   3.423
  315   2HA   GLY  42          HA1       GLY  42 185.584  -3.696   2.965
  316    H    MET  43           HN       MET  43 182.341  -4.210   1.666
  317    HA   MET  43           HA       MET  43 182.323  -1.663   0.351
  318   1HB   MET  43          HB2       MET  43 180.045  -2.269  -0.321
  319   2HB   MET  43          HB1       MET  43 181.172  -3.574  -0.620
  320   1HG   MET  43          HG2       MET  43 179.402  -4.700   0.247
  321   2HG   MET  43          HG1       MET  43 180.402  -4.456   1.676
  322   1HE   MET  43          HE1       MET  43 176.593  -2.525   0.356
  323   2HE   MET  43          HE2       MET  43 178.103  -2.630  -0.548
  324   3HE   MET  43          HE3       MET  43 177.786  -1.232   0.479
  325    H    TYR  44           HN       TYR  44 181.056  -2.960   3.353
  326    HA   TYR  44           HA       TYR  44 179.260  -0.866   3.948
  327   1HB   TYR  44          HB2       TYR  44 180.779  -2.699   5.816
  328   2HB   TYR  44          HB1       TYR  44 179.431  -1.670   6.288
  329    HD1  TYR  44           HD1      TYR  44 177.181  -2.325   5.873
  330    HD2  TYR  44           HD2      TYR  44 180.391  -4.609   4.267
  331    HE1  TYR  44           HE1      TYR  44 175.603  -4.116   5.283
  332    HE2  TYR  44           HE2      TYR  44 178.821  -6.406   3.670
  333    HH   TYR  44           HH       TYR  44 175.947  -6.822   4.907
  334    H    CYS  45           HN       CYS  45 182.475  -1.482   5.368
  335    HA   CYS  45           HA       CYS  45 182.731   1.006   6.608
  336   1HB   CYS  45          HB2       CYS  45 184.159  -1.163   6.840
  337   2HB   CYS  45          HB1       CYS  45 185.125  -0.458   5.550
  338    H    ALA  46           HN       ALA  46 183.091   0.091   3.305
  339    HA   ALA  46           HA       ALA  46 184.753   2.252   2.477
  340   1HB   ALA  46          HB1       ALA  46 184.013   1.655   0.202
  341   2HB   ALA  46          HB2       ALA  46 182.835   0.540   0.896
  342   3HB   ALA  46          HB3       ALA  46 184.561   0.252   1.119
  343    H    ALA  47           HN       ALA  47 181.258   1.657   2.325
  344    HA   ALA  47           HA       ALA  47 180.582   4.190   1.265
  345   1HB   ALA  47          HB1       ALA  47 178.440   3.457   1.309
  346   2HB   ALA  47          HB2       ALA  47 178.591   2.778   2.930
  347   3HB   ALA  47          HB3       ALA  47 179.232   1.898   1.542
  348    H    LEU  48           HN       LEU  48 181.254   3.059   4.479
  349    HA   LEU  48           HA       LEU  48 179.981   5.225   5.844
  350   1HB   LEU  48          HB2       LEU  48 180.250   3.153   7.002
  351   2HB   LEU  48          HB1       LEU  48 181.968   3.115   6.664
  352    HG   LEU  48           HG       LEU  48 182.070   5.282   8.081
  353   1HD1  LEU  48          HD11      LEU  48 179.428   4.124   8.953
  354   2HD1  LEU  48          HD12      LEU  48 179.716   5.721   8.261
  355   3HD1  LEU  48          HD13      LEU  48 180.345   5.327   9.861
  356   1HD2  LEU  48          HD21      LEU  48 183.184   3.736   9.241
  357   2HD2  LEU  48          HD22      LEU  48 182.049   2.462   8.799
  358   3HD2  LEU  48          HD23      LEU  48 181.696   3.522  10.163
  359    H    GLU  49           HN       GLU  49 183.276   4.378   4.908
  360    HA   GLU  49           HA       GLU  49 184.507   6.577   6.103
  361   1HB   GLU  49          HB2       GLU  49 186.443   6.074   4.681
  362   2HB   GLU  49          HB1       GLU  49 185.789   4.626   5.431
  363   1HG   GLU  49          HG2       GLU  49 184.825   3.896   3.415
  364   2HG   GLU  49          HG1       GLU  49 185.076   5.457   2.638
  365    H    SER  50           HN       SER  50 183.179   6.119   2.859
  366    HA   SER  50           HA       SER  50 184.038   8.720   1.978
  367   1HB   SER  50          HB2       SER  50 181.875   7.500   0.428
  368   2HB   SER  50          HB1       SER  50 183.490   7.996  -0.081
  369    HG   SER  50           HG       SER  50 183.326   5.773  -0.267
  370    H    LEU  51           HN       LEU  51 181.121   7.349   3.367
  371    HA   LEU  51           HA       LEU  51 179.409   9.529   2.756
  372   1HB   LEU  51          HB2       LEU  51 179.311   7.217   4.640
  373   2HB   LEU  51          HB1       LEU  51 178.171   8.529   4.855
  374    HG   LEU  51           HG       LEU  51 178.468   7.127   2.214
  375   1HD1  LEU  51          HD11      LEU  51 177.257   6.136   4.684
  376   2HD1  LEU  51          HD12      LEU  51 177.718   5.273   3.217
  377   3HD1  LEU  51          HD13      LEU  51 176.174   6.121   3.292
  378   1HD2  LEU  51          HD21      LEU  51 177.162   9.410   2.870
  379   2HD2  LEU  51          HD22      LEU  51 175.894   8.210   3.120
  380   3HD2  LEU  51          HD23      LEU  51 176.692   8.335   1.553
  381    H    ILE  52           HN       ILE  52 181.414   8.723   5.557
  382    HA   ILE  52           HA       ILE  52 180.569  10.761   7.270
  383    HB   ILE  52           HB       ILE  52 181.974   8.897   8.016
  384   1HG1  ILE  52          2HG1      ILE  52 183.718  11.213   8.627
  385   2HG1  ILE  52          1HG1      ILE  52 182.003  11.427   8.965
  386   1HG2  ILE  52          1HG2      ILE  52 184.571   9.599   7.502
  387   2HG2  ILE  52          2HG2      ILE  52 183.768   9.951   5.972
  388   3HG2  ILE  52          3HG2      ILE  52 183.666   8.335   6.670
  389   1HD1  ILE  52          HD11      ILE  52 183.495   9.031   9.958
  390   2HD1  ILE  52          HD12      ILE  52 181.983   9.723  10.547
  391   3HD1  ILE  52          HD13      ILE  52 183.508  10.561  10.836
  392    H    ASN  53           HN       ASN  53 182.605  10.873   4.471
  393    HA   ASN  53           HA       ASN  53 183.826  13.394   5.116
  394   1HB   ASN  53          HB2       ASN  53 183.898  11.488   2.847
  395   2HB   ASN  53          HB1       ASN  53 184.229  13.174   2.457
  396   1HD2  ASN  53          HD21      ASN  53 184.986  11.431   5.426
  397   2HD2  ASN  53          HD22      ASN  53 186.701  11.589   5.294
  398    H    VAL  54           HN       VAL  54 180.895  12.349   3.603
  399    HA   VAL  54           HA       VAL  54 180.319  14.563   1.990
  400    HB   VAL  54           HB       VAL  54 178.326  12.880   3.517
  401   1HG1  VAL  54          1HG1      VAL  54 176.937  14.439   2.670
  402   2HG1  VAL  54          2HG1      VAL  54 177.134  13.520   1.178
  403   3HG1  VAL  54          3HG1      VAL  54 178.100  14.969   1.455
  404   1HG2  VAL  54          1HG2      VAL  54 178.206  11.543   1.426
  405   2HG2  VAL  54          2HG2      VAL  54 179.761  11.424   2.250
  406   3HG2  VAL  54          3HG2      VAL  54 179.597  12.440   0.818
  407    H    SER  55           HN       SER  55 179.724  16.593   2.422
  408    HA   SER  55           HA       SER  55 178.742  17.235   5.118
  409   1HB   SER  55          HB2       SER  55 180.080  19.358   5.003
  410   2HB   SER  55          HB1       SER  55 181.059  17.896   5.120
  411    HG   SER  55           HG       SER  55 180.434  19.192   2.676
  412    H    GLY  56           HN       GLY  56 176.869  18.280   5.070
  413   1HA   GLY  56          HA2       GLY  56 175.675  20.280   4.280
  414   2HA   GLY  56          HA1       GLY  56 176.221  19.868   2.663
  415    H    CYS  57           HN       CYS  57 175.306  17.164   4.527
  416    HA   CYS  57           HA       CYS  57 172.593  17.197   3.412
  417   1HB   CYS  57          HB2       CYS  57 174.789  15.315   2.871
  418   2HB   CYS  57          HB1       CYS  57 173.272  14.550   3.310
  419    H    SER  58           HN       SER  58 174.549  14.885   5.266
  420    HA   SER  58           HA       SER  58 174.220  13.857   7.262
  421   1HB   SER  58          HB2       SER  58 174.013  16.548   7.732
  422   2HB   SER  58          HB1       SER  58 172.504  15.943   8.420
  423    HG   SER  58           HG       SER  58 173.615  15.190  10.024
  424    H    ALA  59           HN       ALA  59 172.082  13.793   5.069
  425    HA   ALA  59           HA       ALA  59 169.675  13.230   6.597
  426   1HB   ALA  59          HB1       ALA  59 169.696  14.379   4.331
  427   2HB   ALA  59          HB2       ALA  59 168.553  13.051   4.531
  428   3HB   ALA  59          HB3       ALA  59 170.057  12.794   3.647
  429    H    ILE  60           HN       ILE  60 172.293  11.551   5.036
  430    HA   ILE  60           HA       ILE  60 171.034   8.970   5.160
  431    HB   ILE  60           HB       ILE  60 173.167   8.173   4.289
  432   1HG1  ILE  60          2HG1      ILE  60 174.717  10.224   3.565
  433   2HG1  ILE  60          1HG1      ILE  60 174.031  10.911   5.031
  434   1HG2  ILE  60          1HG2      ILE  60 173.053   9.219   2.131
  435   2HG2  ILE  60          2HG2      ILE  60 172.249  10.628   2.824
  436   3HG2  ILE  60          3HG2      ILE  60 171.423   9.070   2.786
  437   1HD1  ILE  60          HD11      ILE  60 174.978   9.270   6.384
  438   2HD1  ILE  60          HD12      ILE  60 176.242   9.669   5.220
  439   3HD1  ILE  60          HD13      ILE  60 175.291   8.198   5.019
  440    H    GLU  61           HN       GLU  61 171.857  10.698   7.639
  441    HA   GLU  61           HA       GLU  61 173.910   9.624   9.070
  442   1HB   GLU  61          HB2       GLU  61 171.323  10.860   9.768
  443   2HB   GLU  61          HB1       GLU  61 172.080   9.920  11.047
  444   1HG   GLU  61          HG2       GLU  61 174.181  11.389  10.163
  445   2HG   GLU  61          HG1       GLU  61 172.841  12.503   9.897
  446    H    LYS  62           HN       LYS  62 170.692   8.261   8.659
  447    HA   LYS  62           HA       LYS  62 170.949   6.131  10.477
  448   1HB   LYS  62          HB2       LYS  62 169.180   6.749   8.165
  449   2HB   LYS  62          HB1       LYS  62 169.232   5.081   8.719
  450   1HG   LYS  62          HG2       LYS  62 168.593   7.456  10.456
  451   2HG   LYS  62          HG1       LYS  62 167.402   6.374   9.731
  452   1HD   LYS  62          HD2       LYS  62 167.569   5.235  11.659
  453   2HD   LYS  62          HD1       LYS  62 169.070   4.609  10.974
  454   1HE   LYS  62          HE2       LYS  62 169.966   6.915  12.029
  455   2HE   LYS  62          HE1       LYS  62 168.637   6.573  13.136
  456   1HZ   LYS  62          HZ1       LYS  62 170.299   5.426  14.146
  457   2HZ   LYS  62          HZ2       LYS  62 171.126   5.099  12.707
  458   3HZ   LYS  62          HZ3       LYS  62 169.747   4.206  13.112
  459    H    THR  63           HN       THR  63 171.409   6.203   6.946
  460    HA   THR  63           HA       THR  63 172.252   3.555   6.655
  461    HB   THR  63           HB       THR  63 171.733   5.582   4.940
  462    HG1  THR  63           1HG      THR  63 171.596   3.688   4.020
  463   1HG2  THR  63          1HG2      THR  63 173.587   6.258   3.685
  464   2HG2  THR  63          2HG2      THR  63 174.664   5.132   4.510
  465   3HG2  THR  63          3HG2      THR  63 174.039   6.542   5.365
  466    H    GLN  64           HN       GLN  64 174.038   6.484   7.430
  467    HA   GLN  64           HA       GLN  64 176.640   5.498   7.196
  468   1HB   GLN  64          HB2       GLN  64 175.338   7.801   8.394
  469   2HB   GLN  64          HB1       GLN  64 176.701   7.258   9.363
  470   1HG   GLN  64          HG2       GLN  64 178.220   7.581   7.604
  471   2HG   GLN  64          HG1       GLN  64 176.931   7.718   6.410
  472   1HE2  GLN  64          1HE2      GLN  64 179.057   9.567   6.862
  473   2HE2  GLN  64          2HE2      GLN  64 178.343  11.068   7.331
  474    H    ARG  65           HN       ARG  65 174.577   5.669  10.094
  475    HA   ARG  65           HA       ARG  65 176.287   4.446  11.865
  476   1HB   ARG  65          HB2       ARG  65 173.328   4.763  11.724
  477   2HB   ARG  65          HB1       ARG  65 174.002   3.694  12.946
  478   1HG   ARG  65          HG2       ARG  65 174.829   6.565  12.602
  479   2HG   ARG  65          HG1       ARG  65 173.566   6.028  13.710
  480   1HD   ARG  65          HD2       ARG  65 175.397   4.409  14.594
  481   2HD   ARG  65          HD1       ARG  65 176.513   5.523  13.806
  482    HE   ARG  65           HE       ARG  65 175.045   5.970  16.227
  483   1HH1  ARG  65          HH11      ARG  65 176.551   7.528  13.491
  484   2HH1  ARG  65          HH12      ARG  65 176.796   9.028  14.321
  485   1HH2  ARG  65          HH21      ARG  65 175.366   7.942  17.320
  486   2HH2  ARG  65          HH22      ARG  65 176.124   9.263  16.495
  487    H    MET  66           HN       MET  66 173.701   2.937   9.928
  488    HA   MET  66           HA       MET  66 174.097   0.323  10.796
  489   1HB   MET  66          HB2       MET  66 172.657  -0.317   9.081
  490   2HB   MET  66          HB1       MET  66 172.194   1.346   9.387
  491   1HG   MET  66          HG2       MET  66 173.096   2.104   7.411
  492   2HG   MET  66          HG1       MET  66 174.175   0.726   7.245
  493   1HE   MET  66          HE1       MET  66 170.254  -0.362   7.995
  494   2HE   MET  66          HE2       MET  66 169.656   0.670   6.696
  495   3HE   MET  66          HE3       MET  66 170.587   1.370   8.020
  496    H    LEU  67           HN       LEU  67 175.741   2.181   8.324
  497    HA   LEU  67           HA       LEU  67 177.112   0.010   7.127
  498   1HB   LEU  67          HB2       LEU  67 177.527   2.986   7.145
  499   2HB   LEU  67          HB1       LEU  67 178.620   1.907   6.308
  500    HG   LEU  67           HG       LEU  67 175.665   2.011   5.742
  501   1HD1  LEU  67          HD11      LEU  67 177.926   3.622   4.642
  502   2HD1  LEU  67          HD12      LEU  67 176.299   4.132   5.092
  503   3HD1  LEU  67          HD13      LEU  67 176.554   3.201   3.617
  504   1HD2  LEU  67          HD21      LEU  67 177.410   0.063   5.120
  505   2HD2  LEU  67          HD22      LEU  67 177.629   1.129   3.732
  506   3HD2  LEU  67          HD23      LEU  67 176.027   0.497   4.115
  507    H    SER  68           HN       SER  68 178.026   2.404   9.588
  508    HA   SER  68           HA       SER  68 180.673   1.609   9.941
  509   1HB   SER  68          HB2       SER  68 180.673   2.895  11.911
  510   2HB   SER  68          HB1       SER  68 179.435   3.656  10.912
  511    HG   SER  68           HG       SER  68 179.196   2.320  13.297
  512    H    GLY  69           HN       GLY  69 177.757   0.542  11.615
  513   1HA   GLY  69          HA2       GLY  69 178.856  -1.173  13.452
  514   2HA   GLY  69          HA1       GLY  69 177.272  -1.389  12.734
  515    H    PHE  70           HN       PHE  70 178.615  -1.586  10.025
  516    HA   PHE  70           HA       PHE  70 179.226  -4.439  10.233
  517   1HB   PHE  70          HB2       PHE  70 178.471  -2.705   7.878
  518   2HB   PHE  70          HB1       PHE  70 178.903  -4.407   7.740
  519    HD1  PHE  70           HD1      PHE  70 176.222  -2.380   7.621
  520    HD2  PHE  70           HD2      PHE  70 177.572  -5.783   9.790
  521    HE1  PHE  70           HE1      PHE  70 173.888  -3.003   8.087
  522    HE2  PHE  70           HE2      PHE  70 175.240  -6.413  10.260
  523    HZ   PHE  70           HZ       PHE  70 173.395  -5.022   9.409
  524    H    CYS  71           HN       CYS  71 180.730  -1.406   9.541
  525    HA   CYS  71           HA       CYS  71 182.819  -2.087   7.882
  526   1HB   CYS  71          HB2       CYS  71 182.671   0.185   8.384
  527   2HB   CYS  71          HB1       CYS  71 182.557  -0.102  10.115
  528    HA   PRO  72           HA       PRO  72 184.762  -5.241  10.457
  529   1HB   PRO  72          HB2       PRO  72 186.714  -5.881   8.663
  530   2HB   PRO  72          HB1       PRO  72 185.063  -6.503   8.571
  531   1HG   PRO  72          HG2       PRO  72 186.313  -4.223   7.085
  532   2HG   PRO  72          HG1       PRO  72 185.241  -5.500   6.480
  533   1HD   PRO  72          HD2       PRO  72 184.333  -3.028   7.033
  534   2HD   PRO  72          HD1       PRO  72 183.342  -4.475   7.313
  535    H    HIS  73           HN       HIS  73 186.169  -2.356   9.154
  536    HA   HIS  73           HA       HIS  73 188.435  -2.628  11.019
  537   1HB   HIS  73          HB2       HIS  73 188.399  -0.862   8.571
  538   2HB   HIS  73          HB1       HIS  73 189.788  -1.338   9.542
  539    HD1  HIS  73           HD1      HIS  73 188.828  -4.442   9.541
  540    HD2  HIS  73           HD2      HIS  73 189.516  -1.987   6.260
  541    HE1  HIS  73           HE1      HIS  73 189.320  -5.999   7.628
  542    HE2  HIS  73           HE2      HIS  73 189.652  -4.493   5.635
  543    H    LYS  74           HN       LYS  74 189.089   0.263  10.439
  544    HA   LYS  74           HA       LYS  74 186.872   1.609  11.796
  545   1HB   LYS  74          HB2       LYS  74 189.226   0.811  13.109
  546   2HB   LYS  74          HB1       LYS  74 189.401   2.540  12.842
  547   1HG   LYS  74          HG2       LYS  74 186.829   1.539  13.943
  548   2HG   LYS  74          HG1       LYS  74 188.241   1.585  15.001
  549   1HD   LYS  74          HD2       LYS  74 188.457   3.908  14.802
  550   2HD   LYS  74          HD1       LYS  74 187.437   3.968  13.363
  551   1HE   LYS  74          HE2       LYS  74 186.408   3.127  16.062
  552   2HE   LYS  74          HE1       LYS  74 186.399   4.804  15.517
  553   1HZ   LYS  74          HZ1       LYS  74 184.334   4.115  14.871
  554   2HZ   LYS  74          HZ2       LYS  74 184.820   2.527  14.552
  555   3HZ   LYS  74          HZ3       LYS  74 185.204   3.763  13.463
  556    H    VAL  75           HN       VAL  75 186.450   3.555  10.934
  557    HA   VAL  75           HA       VAL  75 188.456   5.286   9.914
  558    HB   VAL  75           HB       VAL  75 188.396   3.726   8.029
  559   1HG1  VAL  75          1HG1      VAL  75 185.589   4.511   7.397
  560   2HG1  VAL  75          2HG1      VAL  75 185.889   3.195   8.532
  561   3HG1  VAL  75          3HG1      VAL  75 186.505   3.094   6.883
  562   1HG2  VAL  75          1HG2      VAL  75 188.528   5.355   6.462
  563   2HG2  VAL  75          2HG2      VAL  75 188.389   6.400   7.877
  564   3HG2  VAL  75          3HG2      VAL  75 186.966   6.051   6.895
  565    H    SER  76           HN       SER  76 187.536   6.910  11.086
  566    HA   SER  76           HA       SER  76 184.778   7.636  10.587
  567   1HB   SER  76          HB2       SER  76 185.462   7.166  12.937
  568   2HB   SER  76          HB1       SER  76 186.620   8.489  12.804
  569    HG   SER  76           HG       SER  76 183.887   8.558  13.123
  570    H    ALA  77           HN       ALA  77 185.770  10.033  11.859
  571    HA   ALA  77           HA       ALA  77 186.354  11.545   9.430
  572   1HB   ALA  77          HB1       ALA  77 185.015  12.161  11.973
  573   2HB   ALA  77          HB2       ALA  77 184.702  12.765  10.346
  574   3HB   ALA  77          HB3       ALA  77 186.004  13.462  11.310
  575    H    GLY  78           HN       GLY  78 188.568  10.368   9.771
  576   1HA   GLY  78          HA2       GLY  78 190.404  12.402  10.667
  577   2HA   GLY  78          HA1       GLY  78 190.438  10.942  11.643
  578    H    GLN  79           HN       GLN  79 191.127   8.977  10.697
  579    HA   GLN  79           HA       GLN  79 192.507   7.695   9.423
  580   1HB   GLN  79          HB2       GLN  79 191.705   9.513   7.149
  581   2HB   GLN  79          HB1       GLN  79 192.326   7.873   7.024
  582   1HG   GLN  79          HG2       GLN  79 190.344   6.923   7.698
  583   2HG   GLN  79          HG1       GLN  79 189.814   8.375   8.545
  584   1HE2  GLN  79          1HE2      GLN  79 188.173   9.336   7.610
  585   2HE2  GLN  79          2HE2      GLN  79 187.851   9.398   5.913
  586    H    PHE  80           HN       PHE  80 194.339   7.973   7.588
  587    HA   PHE  80           HA       PHE  80 195.869  10.412   8.002
  588   1HB   PHE  80          HB2       PHE  80 197.916   9.025   8.594
  589   2HB   PHE  80          HB1       PHE  80 196.696   9.179   9.853
  590    HD1  PHE  80           HD1      PHE  80 195.087   7.272  10.212
  591    HD2  PHE  80           HD2      PHE  80 198.575   6.926   7.798
  592    HE1  PHE  80           HE1      PHE  80 194.970   4.821  10.400
  593    HE2  PHE  80           HE2      PHE  80 198.463   4.475   7.980
  594    HZ   PHE  80           HZ       PHE  80 196.659   3.420   9.282
  595    H    SER  81           HN       SER  81 194.648   9.596   5.690
  596    HA   SER  81           HA       SER  81 195.024   9.286   3.469
  597   1HB   SER  81          HB2       SER  81 196.688  10.965   3.532
  598   2HB   SER  81          HB1       SER  81 197.814   9.931   4.411
  599    HG   SER  81           HG       SER  81 198.099   8.711   2.559
  600    H    SER  82           HN       SER  82 194.352   7.128   3.462
  601    HA   SER  82           HA       SER  82 196.172   5.263   2.449
  602   1HB   SER  82          HB2       SER  82 197.135   4.954   4.582
  603   2HB   SER  82          HB1       SER  82 195.568   5.009   5.389
  604    HG   SER  82           HG       SER  82 196.613   2.867   5.040
  605    H    LEU  83           HN       LEU  83 193.184   5.741   4.235
  606    HA   LEU  83           HA       LEU  83 191.930   3.409   3.083
  607   1HB   LEU  83          HB2       LEU  83 191.102   5.553   4.988
  608   2HB   LEU  83          HB1       LEU  83 189.860   4.610   4.188
  609    HG   LEU  83           HG       LEU  83 190.448   3.754   6.437
  610   1HD1  LEU  83          HD11      LEU  83 189.575   2.310   4.574
  611   2HD1  LEU  83          HD12      LEU  83 190.465   1.461   5.837
  612   3HD1  LEU  83          HD13      LEU  83 191.240   1.802   4.290
  613   1HD2  LEU  83          HD21      LEU  83 192.571   2.683   6.824
  614   2HD2  LEU  83          HD22      LEU  83 192.846   4.357   6.343
  615   3HD2  LEU  83          HD23      LEU  83 193.098   3.054   5.182
  616    H    HIS  84           HN       HIS  84 192.531   4.354   0.874
  617    HA   HIS  84           HA       HIS  84 190.182   5.131  -0.445
  618   1HB   HIS  84          HB2       HIS  84 190.965   7.412  -1.217
  619   2HB   HIS  84          HB1       HIS  84 190.436   7.320   0.459
  620    HD1  HIS  84           HD1      HIS  84 192.097   9.648   0.046
  621    HD2  HIS  84           HD2      HIS  84 193.824   5.919   0.665
  622    HE1  HIS  84           HE1      HIS  84 194.436  10.114   0.844
  623    HE2  HIS  84           HE2      HIS  84 195.487   7.843   1.139
  624    H    VAL  85           HN       VAL  85 191.931   3.122  -0.909
  625    HA   VAL  85           HA       VAL  85 194.006   3.628  -2.709
  626    HB   VAL  85           HB       VAL  85 193.566   1.217  -3.414
  627   1HG1  VAL  85          1HG1      VAL  85 194.791   0.427  -1.634
  628   2HG1  VAL  85          2HG1      VAL  85 193.901   1.398  -0.461
  629   3HG1  VAL  85          3HG1      VAL  85 195.085   2.162  -1.520
  630   1HG2  VAL  85          1HG2      VAL  85 191.773   1.126  -1.020
  631   2HG2  VAL  85          2HG2      VAL  85 192.012  -0.094  -2.272
  632   3HG2  VAL  85          3HG2      VAL  85 191.129   1.387  -2.641
  633    H    ARG  86           HN       ARG  86 190.554   3.263  -3.163
  634    HA   ARG  86           HA       ARG  86 190.533   2.847  -5.943
  635   1HB   ARG  86          HB2       ARG  86 188.190   3.681  -5.831
  636   2HB   ARG  86          HB1       ARG  86 188.548   2.435  -4.644
  637   1HG   ARG  86          HG2       ARG  86 189.074   4.592  -3.160
  638   2HG   ARG  86          HG1       ARG  86 187.887   5.287  -4.265
  639   1HD   ARG  86          HD2       ARG  86 186.907   4.350  -2.175
  640   2HD   ARG  86          HD1       ARG  86 186.258   3.645  -3.655
  641    HE   ARG  86           HE       ARG  86 187.145   1.622  -3.044
  642   1HH1  ARG  86          HH11      ARG  86 188.564   4.125  -1.069
  643   2HH1  ARG  86          HH12      ARG  86 189.355   3.011  -0.006
  644   1HH2  ARG  86          HH21      ARG  86 188.185   0.155  -1.646
  645   2HH2  ARG  86          HH22      ARG  86 189.140   0.757  -0.333
  646    H    ASP  87           HN       ASP  87 190.604   4.195  -7.663
  647    HA   ASP  87           HA       ASP  87 191.157   7.029  -7.096
  648   1HB   ASP  87          HB2       ASP  87 192.187   5.120  -9.150
  649   2HB   ASP  87          HB1       ASP  87 192.097   6.830  -9.562
  650    H    THR  88           HN       THR  88 189.038   4.850  -8.721
  651    HA   THR  88           HA       THR  88 187.945   6.835 -10.509
  652    HB   THR  88           HB       THR  88 186.131   4.768 -10.478
  653    HG1  THR  88           1HG      THR  88 188.679   3.578 -10.185
  654   1HG2  THR  88          1HG2      THR  88 186.783   5.256 -12.585
  655   2HG2  THR  88          2HG2      THR  88 187.768   3.815 -12.333
  656   3HG2  THR  88          3HG2      THR  88 188.483   5.416 -12.145
  657    H    LYS  89           HN       LYS  89 186.383   8.232 -10.045
  658    HA   LYS  89           HA       LYS  89 184.954   7.937  -7.504
  659   1HB   LYS  89          HB2       LYS  89 185.757  10.242  -9.204
  660   2HB   LYS  89          HB1       LYS  89 184.276  10.402  -8.271
  661   1HG   LYS  89          HG2       LYS  89 185.576  11.090  -6.605
  662   2HG   LYS  89          HG1       LYS  89 186.054   9.400  -6.431
  663   1HD   LYS  89          HD2       LYS  89 188.089   9.737  -7.384
  664   2HD   LYS  89          HD1       LYS  89 187.489  10.985  -8.478
  665   1HE   LYS  89          HE2       LYS  89 187.642  11.518  -5.540
  666   2HE   LYS  89          HE1       LYS  89 189.097  11.625  -6.531
  667   1HZ   LYS  89          HZ1       LYS  89 186.585  13.158  -6.935
  668   2HZ   LYS  89          HZ2       LYS  89 187.938  13.229  -7.949
  669   3HZ   LYS  89          HZ3       LYS  89 188.050  13.772  -6.351
  670    H    ILE  90           HN       ILE  90 182.694   8.239  -7.378
  671    HA   ILE  90           HA       ILE  90 181.267   7.881  -9.930
  672    HB   ILE  90           HB       ILE  90 179.749   6.351  -8.963
  673   1HG1  ILE  90          2HG1      ILE  90 181.046   6.864  -6.274
  674   2HG1  ILE  90          1HG1      ILE  90 179.475   7.482  -6.777
  675   1HG2  ILE  90          1HG2      ILE  90 181.502   4.736  -7.724
  676   2HG2  ILE  90          2HG2      ILE  90 182.619   5.846  -8.516
  677   3HG2  ILE  90          3HG2      ILE  90 181.440   4.950  -9.474
  678   1HD1  ILE  90          HD11      ILE  90 178.449   5.484  -6.507
  679   2HD1  ILE  90          HD12      ILE  90 179.747   5.280  -5.331
  680   3HD1  ILE  90          HD13      ILE  90 179.889   4.560  -6.933
  681    H    GLU  91           HN       GLU  91 178.796   8.311  -9.527
  682    HA   GLU  91           HA       GLU  91 178.638  11.020  -8.515
  683   1HB   GLU  91          HB2       GLU  91 176.921   9.256 -10.188
  684   2HB   GLU  91          HB1       GLU  91 176.128  10.548  -9.297
  685   1HG   GLU  91          HG2       GLU  91 178.537  11.277 -10.844
  686   2HG   GLU  91          HG1       GLU  91 177.091  10.853 -11.760
  687    H    VAL  92           HN       VAL  92 177.541  11.700  -6.730
  688    HA   VAL  92           HA       VAL  92 177.283  10.179  -4.494
  689    HB   VAL  92           HB       VAL  92 175.145  11.912  -4.173
  690   1HG1  VAL  92          1HG1      VAL  92 178.025  11.913  -3.500
  691   2HG1  VAL  92          2HG1      VAL  92 176.611  11.952  -2.447
  692   3HG1  VAL  92          3HG1      VAL  92 177.140  13.421  -3.268
  693   1HG2  VAL  92          1HG2      VAL  92 175.661  13.988  -5.179
  694   2HG2  VAL  92          2HG2      VAL  92 175.705  12.792  -6.475
  695   3HG2  VAL  92          3HG2      VAL  92 177.210  13.394  -5.780
  696    H    ALA  93           HN       ALA  93 174.772  10.688  -6.946
  697    HA   ALA  93           HA       ALA  93 172.719   9.267  -5.653
  698   1HB   ALA  93          HB1       ALA  93 172.641   9.015  -8.546
  699   2HB   ALA  93          HB2       ALA  93 172.978  10.667  -8.027
  700   3HB   ALA  93          HB3       ALA  93 171.530   9.841  -7.453
  701    H    GLN  94           HN       GLN  94 175.230   8.254  -7.927
  702    HA   GLN  94           HA       GLN  94 174.383   5.555  -8.127
  703   1HB   GLN  94          HB2       GLN  94 176.374   7.184  -9.287
  704   2HB   GLN  94          HB1       GLN  94 177.220   5.838  -8.536
  705   1HG   GLN  94          HG2       GLN  94 174.869   5.437 -10.353
  706   2HG   GLN  94          HG1       GLN  94 176.520   5.571 -10.957
  707   1HE2  GLN  94          1HE2      GLN  94 174.310   3.663  -9.048
  708   2HE2  GLN  94          2HE2      GLN  94 175.244   2.209  -9.058
  709    H    PHE  95           HN       PHE  95 176.381   7.319  -5.888
  710    HA   PHE  95           HA       PHE  95 177.706   5.144  -4.685
  711   1HB   PHE  95          HB2       PHE  95 178.211   7.644  -4.450
  712   2HB   PHE  95          HB1       PHE  95 176.921   7.673  -3.253
  713    HD1  PHE  95           HD1      PHE  95 177.220   6.692  -1.083
  714    HD2  PHE  95           HD2      PHE  95 180.283   6.441  -4.023
  715    HE1  PHE  95           HE1      PHE  95 178.817   5.972   0.645
  716    HE2  PHE  95           HE2      PHE  95 181.880   5.715  -2.306
  717    HZ   PHE  95           HZ       PHE  95 181.153   5.485   0.033
  718    H    VAL  96           HN       VAL  96 174.828   6.933  -3.694
  719    HA   VAL  96           HA       VAL  96 174.167   5.328  -1.485
  720    HB   VAL  96           HB       VAL  96 172.233   6.862  -3.229
  721   1HG1  VAL  96          1HG1      VAL  96 171.897   6.608  -0.300
  722   2HG1  VAL  96          2HG1      VAL  96 171.578   5.173  -1.275
  723   3HG1  VAL  96          3HG1      VAL  96 170.687   6.664  -1.581
  724   1HG2  VAL  96          1HG2      VAL  96 174.424   7.943  -2.018
  725   2HG2  VAL  96          2HG2      VAL  96 173.197   8.125  -0.765
  726   3HG2  VAL  96          3HG2      VAL  96 172.931   8.814  -2.367
  727    H    LYS  97           HN       LYS  97 172.664   5.379  -4.715
  728    HA   LYS  97           HA       LYS  97 171.021   3.197  -4.501
  729   1HB   LYS  97          HB2       LYS  97 172.544   4.325  -6.831
  730   2HB   LYS  97          HB1       LYS  97 171.531   2.901  -7.026
  731   1HG   LYS  97          HG2       LYS  97 169.594   4.067  -6.755
  732   2HG   LYS  97          HG1       LYS  97 170.342   5.285  -5.719
  733   1HD   LYS  97          HD2       LYS  97 171.427   6.299  -7.624
  734   2HD   LYS  97          HD1       LYS  97 170.827   5.022  -8.685
  735   1HE   LYS  97          HE2       LYS  97 168.515   5.730  -8.162
  736   2HE   LYS  97          HE1       LYS  97 169.167   7.056  -7.198
  737   1HZ   LYS  97          HZ1       LYS  97 168.596   7.854  -9.369
  738   2HZ   LYS  97          HZ2       LYS  97 169.520   6.652 -10.119
  739   3HZ   LYS  97          HZ3       LYS  97 170.281   7.868  -9.223
  740    H    ASP  98           HN       ASP  98 174.504   3.212  -5.158
  741    HA   ASP  98           HA       ASP  98 174.688   0.459  -5.719
  742   1HB   ASP  98          HB2       ASP  98 176.624   2.622  -5.170
  743   2HB   ASP  98          HB1       ASP  98 177.187   0.971  -4.934
  744    H    LEU  99           HN       LEU  99 174.992   2.333  -2.903
  745    HA   LEU  99           HA       LEU  99 175.897   0.431  -1.086
  746   1HB   LEU  99          HB2       LEU  99 175.874   2.405  -0.039
  747   2HB   LEU  99          HB1       LEU  99 174.749   3.031  -1.236
  748    HG   LEU  99           HG       LEU  99 173.128   1.529   0.463
  749   1HD1  LEU  99          HD11      LEU  99 174.826   3.217   2.251
  750   2HD1  LEU  99          HD12      LEU  99 175.250   1.532   1.947
  751   3HD1  LEU  99          HD13      LEU  99 173.692   1.933   2.668
  752   1HD2  LEU  99          HD21      LEU  99 173.744   4.457   0.252
  753   2HD2  LEU  99          HD22      LEU  99 172.499   3.839   1.337
  754   3HD2  LEU  99          HD23      LEU  99 172.368   3.569  -0.400
  755    H    LEU 100           HN       LEU 100 172.700   1.220  -2.312
  756    HA   LEU 100           HA       LEU 100 171.244  -0.597  -0.663
  757   1HB   LEU 100          HB2       LEU 100 170.038   1.230  -1.595
  758   2HB   LEU 100          HB1       LEU 100 170.618   0.881  -3.210
  759    HG   LEU 100           HG       LEU 100 169.078  -1.317  -2.048
  760   1HD1  LEU 100          HD11      LEU 100 168.012   1.403  -1.948
  761   2HD1  LEU 100          HD12      LEU 100 167.476  -0.063  -1.128
  762   3HD1  LEU 100          HD13      LEU 100 166.984   0.246  -2.793
  763   1HD2  LEU 100          HD21      LEU 100 167.887  -0.959  -4.292
  764   2HD2  LEU 100          HD22      LEU 100 169.573  -1.475  -4.321
  765   3HD2  LEU 100          HD23      LEU 100 169.163   0.213  -4.624
  766    H    LEU 101           HN       LEU 101 172.778  -0.707  -3.790
  767    HA   LEU 101           HA       LEU 101 171.729  -3.021  -4.882
  768   1HB   LEU 101          HB2       LEU 101 173.129  -1.667  -6.205
  769   2HB   LEU 101          HB1       LEU 101 174.418  -1.706  -5.045
  770    HG   LEU 101           HG       LEU 101 174.512  -3.065  -7.315
  771   1HD1  LEU 101          HD11      LEU 101 175.569  -4.546  -4.974
  772   2HD1  LEU 101          HD12      LEU 101 176.085  -2.872  -5.195
  773   3HD1  LEU 101          HD13      LEU 101 176.368  -4.061  -6.469
  774   1HD2  LEU 101          HD21      LEU 101 172.421  -4.372  -6.303
  775   2HD2  LEU 101          HD22      LEU 101 173.717  -5.329  -5.586
  776   3HD2  LEU 101          HD23      LEU 101 173.621  -5.149  -7.337
  777    H    HIS 102           HN       HIS 102 174.879  -2.820  -3.334
  778    HA   HIS 102           HA       HIS 102 175.089  -5.622  -2.960
  779   1HB   HIS 102          HB2       HIS 102 177.076  -4.236  -3.113
  780   2HB   HIS 102          HB1       HIS 102 176.630  -3.382  -1.639
  781    HD2  HIS 102           HD2      HIS 102 176.428  -5.345   0.631
  782    HE1  HIS 102           HE1      HIS 102 179.663  -7.515  -1.023
  783    HE2  HIS 102           HE2      HIS 102 178.368  -7.004   1.095
  784    H    LEU 103           HN       LEU 103 174.135  -3.035  -0.692
  785    HA   LEU 103           HA       LEU 103 174.097  -4.571   1.616
  786   1HB   LEU 103          HB2       LEU 103 172.539  -2.184   0.719
  787   2HB   LEU 103          HB1       LEU 103 172.227  -2.925   2.271
  788    HG   LEU 103           HG       LEU 103 174.931  -1.908   1.422
  789   1HD1  LEU 103          HD11      LEU 103 173.407  -0.055   1.532
  790   2HD1  LEU 103          HD12      LEU 103 174.469  -0.026   2.940
  791   3HD1  LEU 103          HD13      LEU 103 172.806  -0.593   3.099
  792   1HD2  LEU 103          HD21      LEU 103 175.157  -1.945   4.003
  793   2HD2  LEU 103          HD22      LEU 103 175.320  -3.451   3.100
  794   3HD2  LEU 103          HD23      LEU 103 173.810  -3.082   3.934
  795    H    LYS 104           HN       LYS 104 171.377  -3.941  -0.627
  796    HA   LYS 104           HA       LYS 104 169.574  -5.622   0.754
  797   1HB   LYS 104          HB2       LYS 104 168.088  -5.299  -1.050
  798   2HB   LYS 104          HB1       LYS 104 169.012  -3.808  -0.939
  799   1HG   LYS 104          HG2       LYS 104 170.524  -4.912  -2.733
  800   2HG   LYS 104          HG1       LYS 104 169.129  -5.956  -3.009
  801   1HD   LYS 104          HD2       LYS 104 169.066  -2.944  -3.071
  802   2HD   LYS 104          HD1       LYS 104 169.190  -3.974  -4.498
  803   1HE   LYS 104          HE2       LYS 104 167.004  -4.459  -4.473
  804   2HE   LYS 104          HE1       LYS 104 166.992  -4.713  -2.728
  805   1HZ   LYS 104          HZ1       LYS 104 167.219  -2.089  -2.786
  806   2HZ   LYS 104          HZ2       LYS 104 165.717  -2.865  -2.825
  807   3HZ   LYS 104          HZ3       LYS 104 166.414  -2.300  -4.259
  808    H    LYS 105           HN       LYS 105 171.762  -6.223  -1.994
  809    HA   LYS 105           HA       LYS 105 170.828  -8.800  -2.585
  810   1HB   LYS 105          HB2       LYS 105 173.045  -7.111  -3.337
  811   2HB   LYS 105          HB1       LYS 105 173.571  -8.780  -3.162
  812   1HG   LYS 105          HG2       LYS 105 172.479  -9.441  -4.999
  813   2HG   LYS 105          HG1       LYS 105 171.055  -8.476  -4.604
  814   1HD   LYS 105          HD2       LYS 105 172.098  -6.490  -5.473
  815   2HD   LYS 105          HD1       LYS 105 173.611  -7.358  -5.745
  816   1HE   LYS 105          HE2       LYS 105 172.831  -8.412  -7.606
  817   2HE   LYS 105          HE1       LYS 105 171.169  -8.453  -7.018
  818   1HZ   LYS 105          HZ1       LYS 105 170.940  -6.875  -8.599
  819   2HZ   LYS 105          HZ2       LYS 105 172.555  -6.380  -8.526
  820   3HZ   LYS 105          HZ3       LYS 105 171.457  -5.853  -7.353
  821    H    LEU 106           HN       LEU 106 173.036  -7.665  -0.122
  822    HA   LEU 106           HA       LEU 106 173.951 -10.317   0.550
  823   1HB   LEU 106          HB2       LEU 106 175.070  -7.888   0.853
  824   2HB   LEU 106          HB1       LEU 106 174.362  -8.087   2.444
  825    HG   LEU 106           HG       LEU 106 175.602 -10.200   2.725
  826   1HD1  LEU 106          HD11      LEU 106 175.909 -11.051   0.579
  827   2HD1  LEU 106          HD12      LEU 106 177.523 -10.521   1.054
  828   3HD1  LEU 106          HD13      LEU 106 176.555  -9.529  -0.036
  829   1HD2  LEU 106          HD21      LEU 106 176.834  -8.602   3.747
  830   2HD2  LEU 106          HD22      LEU 106 176.894  -7.576   2.315
  831   3HD2  LEU 106          HD23      LEU 106 177.966  -8.970   2.445
  832    H    PHE 107           HN       PHE 107 172.247  -7.801   2.352
  833    HA   PHE 107           HA       PHE 107 171.456  -9.323   4.516
  834   1HB   PHE 107          HB2       PHE 107 170.991  -6.719   3.620
  835   2HB   PHE 107          HB1       PHE 107 169.383  -7.419   3.767
  836    HD1  PHE 107           HD1      PHE 107 168.518  -8.100   5.921
  837    HD2  PHE 107           HD2      PHE 107 172.406  -6.412   5.551
  838    HE1  PHE 107           HE1      PHE 107 168.590  -7.744   8.354
  839    HE2  PHE 107           HE2      PHE 107 172.486  -6.053   7.984
  840    HZ   PHE 107           HZ       PHE 107 170.576  -6.720   9.389
  841    H    ARG 108           HN       ARG 108 170.252  -9.313   1.275
  842    HA   ARG 108           HA       ARG 108 167.851 -10.801   2.008
  843   1HB   ARG 108          HB2       ARG 108 167.765  -9.018   0.272
  844   2HB   ARG 108          HB1       ARG 108 168.837  -9.987  -0.730
  845   1HG   ARG 108          HG2       ARG 108 167.204 -11.662  -1.032
  846   2HG   ARG 108          HG1       ARG 108 166.186 -11.001   0.249
  847   1HD   ARG 108          HD2       ARG 108 165.153 -10.318  -1.739
  848   2HD   ARG 108          HD1       ARG 108 166.040  -8.898  -1.186
  849    HE   ARG 108           HE       ARG 108 167.345  -9.031  -3.059
  850   1HH1  ARG 108          HH11      ARG 108 165.675 -12.067  -2.640
  851   2HH1  ARG 108          HH12      ARG 108 166.190 -12.704  -4.165
  852   1HH2  ARG 108          HH21      ARG 108 168.023  -9.867  -5.066
  853   2HH2  ARG 108          HH22      ARG 108 167.523 -11.455  -5.543
  854    H    GLU 109           HN       GLU 109 170.929 -11.282   0.328
  855    HA   GLU 109           HA       GLU 109 170.421 -13.850  -0.676
  856   1HB   GLU 109          HB2       GLU 109 172.841 -12.230  -0.128
  857   2HB   GLU 109          HB1       GLU 109 173.079 -13.964  -0.283
  858   1HG   GLU 109          HG2       GLU 109 171.398 -12.846  -2.381
  859   2HG   GLU 109          HG1       GLU 109 173.021 -12.159  -2.340
  860    H    GLY 110           HN       GLY 110 171.333 -12.783   2.531
  861   1HA   GLY 110          HA2       GLY 110 170.553 -15.190   3.743
  862   2HA   GLY 110          HA1       GLY 110 172.290 -15.250   3.510
  863    H    ARG 111           HN       ARG 111 172.261 -12.186   3.917
  864    HA   ARG 111           HA       ARG 111 172.571 -12.352   6.793
  865   1HB   ARG 111          HB2       ARG 111 173.411 -10.423   4.669
  866   2HB   ARG 111          HB1       ARG 111 173.336  -9.874   6.335
  867   1HG   ARG 111          HG2       ARG 111 174.717 -12.383   6.192
  868   2HG   ARG 111          HG1       ARG 111 175.429 -11.227   5.065
  869   1HD   ARG 111          HD2       ARG 111 174.786 -10.210   7.761
  870   2HD   ARG 111          HD1       ARG 111 176.100 -11.381   7.664
  871    HE   ARG 111           HE       ARG 111 176.203  -8.667   6.881
  872   1HH1  ARG 111          HH11      ARG 111 177.321 -11.829   5.915
  873   2HH1  ARG 111          HH12      ARG 111 178.727 -11.222   5.108
  874   1HH2  ARG 111          HH21      ARG 111 178.052  -7.867   5.820
  875   2HH2  ARG 111          HH22      ARG 111 179.143  -8.973   5.054
  876    H    PHE 112           HN       PHE 112 169.966 -12.581   6.045
  877    HA   PHE 112           HA       PHE 112 168.652 -10.024   6.390
  878   1HB   PHE 112          HB2       PHE 112 166.829 -11.054   5.513
  879   2HB   PHE 112          HB1       PHE 112 168.027 -12.204   4.949
  880    HD1  PHE 112           HD1      PHE 112 168.056 -14.421   5.696
  881    HD2  PHE 112           HD2      PHE 112 165.515 -11.568   7.558
  882    HE1  PHE 112           HE1      PHE 112 166.898 -16.241   6.888
  883    HE2  PHE 112           HE2      PHE 112 164.347 -13.377   8.757
  884    HZ   PHE 112           HZ       PHE 112 165.041 -15.718   8.422
  885    H    ASN 113           HN       ASN 113 169.372 -12.949   8.124
  886    HA   ASN 113           HA       ASN 113 167.808 -12.110  10.443
  887   1HB   ASN 113          HB2       ASN 113 168.630 -14.326  11.386
  888   2HB   ASN 113          HB1       ASN 113 167.577 -14.425   9.978
  889   1HD2  ASN 113          HD21      ASN 113 170.616 -15.180  11.292
  890   2HD2  ASN 113          HD22      ASN 113 171.308 -15.906   9.885
  Start of MODEL   15
    1   1H    GLY   1          HT1       GLY   1 165.016  15.610  10.872
    2   2H    GLY   1          HT2       GLY   1 163.804  16.633  11.459
    3   3H    GLY   1          HT3       GLY   1 164.021  15.102  12.143
    4   1HA   GLY   1          HA1       GLY   1 166.250  17.016  12.172
    5   2HA   GLY   1          HA2       GLY   1 164.948  17.198  13.339
    6    H    GLY   2           HN       GLY   2 166.198  16.707  15.127
    7   1HA   GLY   2          HA2       GLY   2 166.250  14.462  16.407
    8   2HA   GLY   2          HA1       GLY   2 167.441  14.041  15.186
    9    HA   PRO   3           HA       PRO   3 169.194  16.246  19.138
   10   1HB   PRO   3          HB2       PRO   3 170.612  13.624  19.222
   11   2HB   PRO   3          HB1       PRO   3 170.011  14.622  20.552
   12   1HG   PRO   3          HG2       PRO   3 168.712  12.418  19.819
   13   2HG   PRO   3          HG1       PRO   3 167.827  13.879  20.298
   14   1HD   PRO   3          HD2       PRO   3 168.292  12.749  17.575
   15   2HD   PRO   3          HD1       PRO   3 166.871  13.595  18.221
   16    H    VAL   4           HN       VAL   4 171.731  16.221  19.548
   17    HA   VAL   4           HA       VAL   4 172.965  17.410  17.428
   18    HB   VAL   4           HB       VAL   4 175.122  16.754  18.659
   19   1HG1  VAL   4          1HG1      VAL   4 174.895  18.578  20.034
   20   2HG1  VAL   4          2HG1      VAL   4 173.235  18.172  20.469
   21   3HG1  VAL   4          3HG1      VAL   4 173.587  18.858  18.883
   22   1HG2  VAL   4          1HG2      VAL   4 173.491  16.151  21.030
   23   2HG2  VAL   4          2HG2      VAL   4 175.069  15.527  20.549
   24   3HG2  VAL   4          3HG2      VAL   4 173.602  14.867  19.826
   25    HA   PRO   5           HA       PRO   5 174.367  14.248  14.689
   26   1HB   PRO   5          HB2       PRO   5 176.784  15.190  13.894
   27   2HB   PRO   5          HB1       PRO   5 175.255  15.904  13.367
   28   1HG   PRO   5          HG2       PRO   5 177.119  16.804  15.530
   29   2HG   PRO   5          HG1       PRO   5 176.277  17.771  14.305
   30   1HD   PRO   5          HD2       PRO   5 175.397  17.571  16.857
   31   2HD   PRO   5          HD1       PRO   5 174.293  17.761  15.480
   32    HA   PRO   6           HA       PRO   6 176.872  11.852  17.637
   33   1HB   PRO   6          HB2       PRO   6 176.187   9.420  16.659
   34   2HB   PRO   6          HB1       PRO   6 175.141  10.340  17.746
   35   1HG   PRO   6          HG2       PRO   6 175.017  10.083  14.765
   36   2HG   PRO   6          HG1       PRO   6 173.696  10.032  15.948
   37   1HD   PRO   6          HD2       PRO   6 174.270  12.245  14.493
   38   2HD   PRO   6          HD1       PRO   6 173.610  12.326  16.139
   39    H    SER   7           HN       SER   7 178.957  12.239  17.029
   40    HA   SER   7           HA       SER   7 180.058  11.771  14.496
   41   1HB   SER   7          HB2       SER   7 181.869  11.489  16.823
   42   2HB   SER   7          HB1       SER   7 182.010  12.522  15.401
   43    HG   SER   7           HG       SER   7 180.252  13.774  16.397
   44    H    THR   8           HN       THR   8 179.601   9.672  17.253
   45    HA   THR   8           HA       THR   8 181.343   7.595  16.500
   46    HB   THR   8           HB       THR   8 178.766   7.425  18.075
   47    HG1  THR   8           1HG      THR   8 180.123   7.662  19.863
   48   1HG2  THR   8          1HG2      THR   8 179.438   5.393  18.944
   49   2HG2  THR   8          2HG2      THR   8 181.108   5.604  18.416
   50   3HG2  THR   8          3HG2      THR   8 179.847   5.249  17.235
   51    H    ALA   9           HN       ALA   9 178.077   8.399  15.534
   52    HA   ALA   9           HA       ALA   9 177.288   5.992  14.377
   53   1HB   ALA   9          HB1       ALA   9 175.691   7.737  14.674
   54   2HB   ALA   9          HB2       ALA   9 175.808   7.413  12.944
   55   3HB   ALA   9          HB3       ALA   9 176.603   8.829  13.633
   56    H    LEU  10           HN       LEU  10 179.430   8.489  13.187
   57    HA   LEU  10           HA       LEU  10 179.489   7.666  10.478
   58   1HB   LEU  10          HB2       LEU  10 180.250   9.875  11.167
   59   2HB   LEU  10          HB1       LEU  10 181.527   9.163  12.131
   60    HG   LEU  10           HG       LEU  10 182.178  10.177   9.884
   61   1HD1  LEU  10          HD11      LEU  10 183.988   8.784   9.736
   62   2HD1  LEU  10          HD12      LEU  10 183.029   7.327   9.998
   63   3HD1  LEU  10          HD13      LEU  10 183.405   8.390  11.354
   64   1HD2  LEU  10          HD21      LEU  10 180.416   9.323   8.505
   65   2HD2  LEU  10          HD22      LEU  10 180.827   7.660   8.927
   66   3HD2  LEU  10          HD23      LEU  10 181.940   8.626   7.958
   67    H    ARG  11           HN       ARG  11 181.662   6.995  13.213
   68    HA   ARG  11           HA       ARG  11 183.484   5.373  11.883
   69   1HB   ARG  11          HB2       ARG  11 184.377   5.456  13.929
   70   2HB   ARG  11          HB1       ARG  11 182.866   6.054  14.593
   71   1HG   ARG  11          HG2       ARG  11 182.107   3.831  15.045
   72   2HG   ARG  11          HG1       ARG  11 183.481   3.136  14.182
   73   1HD   ARG  11          HD2       ARG  11 183.688   3.108  16.675
   74   2HD   ARG  11          HD1       ARG  11 185.011   3.915  15.834
   75    HE   ARG  11           HE       ARG  11 182.940   5.720  16.644
   76   1HH1  ARG  11          HH11      ARG  11 185.801   4.030  17.711
   77   2HH1  ARG  11          HH12      ARG  11 186.163   5.174  18.960
   78   1HH2  ARG  11          HH21      ARG  11 183.414   7.225  18.286
   79   2HH2  ARG  11          HH22      ARG  11 184.807   6.987  19.287
   80    H    GLU  12           HN       GLU  12 180.225   4.744  12.847
   81    HA   GLU  12           HA       GLU  12 180.297   1.927  12.889
   82   1HB   GLU  12          HB2       GLU  12 178.307   3.999  13.061
   83   2HB   GLU  12          HB1       GLU  12 177.741   2.713  12.006
   84   1HG   GLU  12          HG2       GLU  12 178.636   1.211  14.003
   85   2HG   GLU  12          HG1       GLU  12 178.301   2.684  14.911
   86    H    LEU  13           HN       LEU  13 179.232   4.163  10.284
   87    HA   LEU  13           HA       LEU  13 178.894   2.062   8.410
   88   1HB   LEU  13          HB2       LEU  13 178.690   4.969   8.446
   89   2HB   LEU  13          HB1       LEU  13 179.272   4.345   6.913
   90    HG   LEU  13           HG       LEU  13 176.988   2.852   7.913
   91   1HD1  LEU  13          HD11      LEU  13 175.307   4.504   7.705
   92   2HD1  LEU  13          HD12      LEU  13 176.472   5.716   7.174
   93   3HD1  LEU  13          HD13      LEU  13 176.508   5.127   8.836
   94   1HD2  LEU  13          HD21      LEU  13 178.034   2.884   5.594
   95   2HD2  LEU  13          HD22      LEU  13 177.218   4.431   5.371
   96   3HD2  LEU  13          HD23      LEU  13 176.275   2.973   5.680
   97    H    ILE  14           HN       ILE  14 181.600   4.070   9.327
   98    HA   ILE  14           HA       ILE  14 183.210   3.599   7.059
   99    HB   ILE  14           HB       ILE  14 183.594   4.755   9.736
  100   1HG1  ILE  14          2HG1      ILE  14 184.806   6.444   8.454
  101   2HG1  ILE  14          1HG1      ILE  14 184.775   5.411   7.029
  102   1HG2  ILE  14          1HG2      ILE  14 185.348   3.224  10.026
  103   2HG2  ILE  14          2HG2      ILE  14 186.123   4.693   9.434
  104   3HG2  ILE  14          3HG2      ILE  14 185.846   3.338   8.338
  105   1HD1  ILE  14          HD11      ILE  14 183.105   7.277   7.062
  106   2HD1  ILE  14          HD12      ILE  14 182.291   6.427   8.376
  107   3HD1  ILE  14          HD13      ILE  14 182.436   5.669   6.790
  108    H    GLU  15           HN       GLU  15 183.381   2.143  10.312
  109    HA   GLU  15           HA       GLU  15 185.304   0.206   9.590
  110   1HB   GLU  15          HB2       GLU  15 183.382   0.058  11.909
  111   2HB   GLU  15          HB1       GLU  15 184.939  -0.746  11.765
  112   1HG   GLU  15          HG2       GLU  15 184.712   2.238  11.711
  113   2HG   GLU  15          HG1       GLU  15 184.781   1.343  13.228
  114    H    GLU  16           HN       GLU  16 181.777   0.107   9.675
  115    HA   GLU  16           HA       GLU  16 181.528  -2.696   9.389
  116   1HB   GLU  16          HB2       GLU  16 179.776  -0.942  10.084
  117   2HB   GLU  16          HB1       GLU  16 179.536  -0.697   8.364
  118   1HG   GLU  16          HG2       GLU  16 178.828  -2.950   8.064
  119   2HG   GLU  16          HG1       GLU  16 179.290  -3.369   9.713
  120    H    LEU  17           HN       LEU  17 181.288  -0.055   7.035
  121    HA   LEU  17           HA       LEU  17 180.992  -1.730   4.777
  122   1HB   LEU  17          HB2       LEU  17 181.792   1.152   5.131
  123   2HB   LEU  17          HB1       LEU  17 181.674   0.404   3.554
  124    HG   LEU  17           HG       LEU  17 179.679   1.792   4.523
  125   1HD1  LEU  17          HD11      LEU  17 178.346  -0.456   3.464
  126   2HD1  LEU  17          HD12      LEU  17 179.915  -0.355   2.665
  127   3HD1  LEU  17          HD13      LEU  17 178.820   1.026   2.636
  128   1HD2  LEU  17          HD21      LEU  17 179.220  -0.912   5.778
  129   2HD2  LEU  17          HD22      LEU  17 178.005   0.358   5.632
  130   3HD2  LEU  17          HD23      LEU  17 179.439   0.620   6.623
  131    H    VAL  18           HN       VAL  18 183.667  -0.451   6.563
  132    HA   VAL  18           HA       VAL  18 185.651  -0.945   4.627
  133    HB   VAL  18           HB       VAL  18 185.588   0.334   7.070
  134   1HG1  VAL  18          1HG1      VAL  18 186.042  -1.940   8.105
  135   2HG1  VAL  18          2HG1      VAL  18 187.100  -0.607   8.567
  136   3HG1  VAL  18          3HG1      VAL  18 187.652  -1.807   7.395
  137   1HG2  VAL  18          1HG2      VAL  18 188.275  -0.194   6.045
  138   2HG2  VAL  18          2HG2      VAL  18 187.428   1.332   6.306
  139   3HG2  VAL  18          3HG2      VAL  18 187.115   0.387   4.849
  140    H    ASN  19           HN       ASN  19 184.173  -2.815   7.166
  141    HA   ASN  19           HA       ASN  19 186.002  -4.984   7.137
  142   1HB   ASN  19          HB2       ASN  19 184.480  -4.519   9.031
  143   2HB   ASN  19          HB1       ASN  19 183.106  -4.943   8.014
  144   1HD2  ASN  19          HD21      ASN  19 182.638  -7.056   7.636
  145   2HD2  ASN  19          HD22      ASN  19 183.457  -8.370   8.402
  146    H    ILE  20           HN       ILE  20 182.753  -4.559   5.673
  147    HA   ILE  20           HA       ILE  20 182.655  -7.045   4.423
  148    HB   ILE  20           HB       ILE  20 180.950  -6.103   3.012
  149   1HG1  ILE  20          2HG1      ILE  20 181.965  -3.459   4.013
  150   2HG1  ILE  20          1HG1      ILE  20 181.839  -3.999   2.337
  151   1HG2  ILE  20          1HG2      ILE  20 179.418  -5.290   4.738
  152   2HG2  ILE  20          2HG2      ILE  20 180.790  -5.055   5.822
  153   3HG2  ILE  20          3HG2      ILE  20 180.355  -6.679   5.288
  154   1HD1  ILE  20          HD11      ILE  20 179.311  -4.088   2.786
  155   2HD1  ILE  20          HD12      ILE  20 180.078  -2.511   2.586
  156   3HD1  ILE  20          HD13      ILE  20 179.675  -3.098   4.199
  157    H    THR  21           HN       THR  21 183.831  -3.927   3.208
  158    HA   THR  21           HA       THR  21 184.588  -5.024   0.662
  159    HB   THR  21           HB       THR  21 183.896  -2.608   1.145
  160    HG1  THR  21           1HG      THR  21 186.314  -2.979  -0.282
  161   1HG2  THR  21          1HG2      THR  21 185.646  -1.034   1.673
  162   2HG2  THR  21          2HG2      THR  21 186.794  -2.352   1.911
  163   3HG2  THR  21          3HG2      THR  21 185.427  -2.165   3.008
  164    H    GLN  22           HN       GLN  22 186.090  -4.735   3.751
  165    HA   GLN  22           HA       GLN  22 188.777  -4.557   3.134
  166   1HB   GLN  22          HB2       GLN  22 187.191  -5.495   5.391
  167   2HB   GLN  22          HB1       GLN  22 188.712  -6.364   5.237
  168   1HG   GLN  22          HG2       GLN  22 189.133  -3.544   4.890
  169   2HG   GLN  22          HG1       GLN  22 188.280  -3.861   6.399
  170   1HE2  GLN  22          1HE2      GLN  22 190.482  -2.861   6.997
  171   2HE2  GLN  22          2HE2      GLN  22 191.725  -3.993   7.391
  172    H    ASN  23           HN       ASN  23 186.611  -7.188   2.558
  173    HA   ASN  23           HA       ASN  23 188.237  -9.397   2.532
  174   1HB   ASN  23          HB2       ASN  23 185.828  -8.565   1.008
  175   2HB   ASN  23          HB1       ASN  23 186.728  -9.944   0.387
  176   1HD2  ASN  23          HD21      ASN  23 185.060  -8.660   3.186
  177   2HD2  ASN  23          HD22      ASN  23 184.680 -10.186   3.897
  178    H    GLN  24           HN       GLN  24 189.666 -10.336   1.116
  179    HA   GLN  24           HA       GLN  24 191.369  -8.719  -0.355
  180   1HB   GLN  24          HB2       GLN  24 191.030 -11.561   0.105
  181   2HB   GLN  24          HB1       GLN  24 191.635 -11.223  -1.513
  182   1HG   GLN  24          HG2       GLN  24 192.850 -10.363   1.098
  183   2HG   GLN  24          HG1       GLN  24 193.484 -11.537  -0.046
  184   1HE2  GLN  24          1HE2      GLN  24 194.296 -10.802  -2.053
  185   2HE2  GLN  24          2HE2      GLN  24 194.841  -9.174  -2.244
  186    H    LYS  25           HN       LYS  25 191.849  -9.713  -2.806
  187    HA   LYS  25           HA       LYS  25 190.096  -8.349  -4.470
  188   1HB   LYS  25          HB2       LYS  25 191.798 -10.697  -5.307
  189   2HB   LYS  25          HB1       LYS  25 191.246  -9.369  -6.318
  190   1HG   LYS  25          HG2       LYS  25 192.970  -8.089  -5.746
  191   2HG   LYS  25          HG1       LYS  25 192.759  -8.436  -4.029
  192   1HD   LYS  25          HD2       LYS  25 193.926 -10.584  -4.345
  193   2HD   LYS  25          HD1       LYS  25 194.178 -10.179  -6.044
  194   1HE   LYS  25          HE2       LYS  25 195.060  -8.155  -4.091
  195   2HE   LYS  25          HE1       LYS  25 195.966  -9.667  -4.089
  196   1HZ   LYS  25          HZ1       LYS  25 195.870  -7.572  -6.084
  197   2HZ   LYS  25          HZ2       LYS  25 195.817  -9.144  -6.706
  198   3HZ   LYS  25          HZ3       LYS  25 197.107  -8.667  -5.721
  199    H    ALA  26           HN       ALA  26 189.915 -11.584  -3.225
  200    HA   ALA  26           HA       ALA  26 188.268 -12.850  -5.038
  201   1HB   ALA  26          HB1       ALA  26 189.335 -13.638  -2.768
  202   2HB   ALA  26          HB2       ALA  26 187.903 -14.431  -3.423
  203   3HB   ALA  26          HB3       ALA  26 187.739 -13.238  -2.135
  204    HA   PRO  27           HA       PRO  27 184.368 -10.795  -4.795
  205   1HB   PRO  27          HB2       PRO  27 182.723 -12.617  -5.724
  206   2HB   PRO  27          HB1       PRO  27 184.057 -12.038  -6.743
  207   1HG   PRO  27          HG2       PRO  27 184.002 -14.399  -4.928
  208   2HG   PRO  27          HG1       PRO  27 184.343 -14.411  -6.671
  209   1HD   PRO  27          HD2       PRO  27 186.329 -14.379  -4.875
  210   2HD   PRO  27          HD1       PRO  27 186.439 -13.388  -6.348
  211    H    LEU  28           HN       LEU  28 181.915 -11.613  -4.192
  212    HA   LEU  28           HA       LEU  28 182.129 -12.305  -1.357
  213   1HB   LEU  28          HB2       LEU  28 180.991 -10.243  -1.746
  214   2HB   LEU  28          HB1       LEU  28 179.962 -10.969  -2.965
  215    HG   LEU  28           HG       LEU  28 178.776 -12.240  -1.287
  216   1HD1  LEU  28          HD11      LEU  28 179.308 -12.278   0.994
  217   2HD1  LEU  28          HD12      LEU  28 180.435 -10.930   0.842
  218   3HD1  LEU  28          HD13      LEU  28 180.848 -12.506   0.167
  219   1HD2  LEU  28          HD21      LEU  28 177.717 -10.433  -0.071
  220   2HD2  LEU  28          HD22      LEU  28 178.066  -9.925  -1.723
  221   3HD2  LEU  28          HD23      LEU  28 179.091  -9.376  -0.398
  222    H    CYS  29           HN       CYS  29 179.270 -12.763  -3.347
  223    HA   CYS  29           HA       CYS  29 178.969 -15.448  -2.345
  224   1HB   CYS  29          HB2       CYS  29 177.282 -13.912  -4.330
  225   2HB   CYS  29          HB1       CYS  29 176.840 -15.436  -3.570
  226    H    ASN  30           HN       ASN  30 180.389 -14.003  -5.084
  227    HA   ASN  30           HA       ASN  30 181.103 -14.774  -7.111
  228   1HB   ASN  30          HB2       ASN  30 182.405 -16.864  -6.969
  229   2HB   ASN  30          HB1       ASN  30 182.736 -15.786  -5.617
  230   1HD2  ASN  30          HD21      ASN  30 181.696 -18.868  -6.581
  231   2HD2  ASN  30          HD22      ASN  30 181.325 -19.495  -5.014
  232    H    GLY  31           HN       GLY  31 178.967 -14.788  -8.059
  233   1HA   GLY  31          HA2       GLY  31 178.119 -16.378  -9.805
  234   2HA   GLY  31          HA1       GLY  31 177.935 -17.525  -8.487
  235    H    SER  32           HN       SER  32 177.151 -14.079  -8.374
  236    HA   SER  32           HA       SER  32 174.356 -14.464  -8.800
  237   1HB   SER  32          HB2       SER  32 175.033 -13.686  -5.976
  238   2HB   SER  32          HB1       SER  32 173.494 -14.242  -6.632
  239    HG   SER  32           HG       SER  32 175.641 -15.686  -5.709
  240    H    MET  33           HN       MET  33 174.076 -12.690  -9.991
  241    HA   MET  33           HA       MET  33 175.445 -10.236  -9.467
  242   1HB   MET  33          HB2       MET  33 173.134 -10.672 -11.348
  243   2HB   MET  33          HB1       MET  33 174.388  -9.456 -11.440
  244   1HG   MET  33          HG2       MET  33 174.828 -12.404 -11.787
  245   2HG   MET  33          HG1       MET  33 174.674 -11.237 -13.097
  246   1HE   MET  33          HE1       MET  33 177.992  -9.630 -13.457
  247   2HE   MET  33          HE2       MET  33 176.262  -9.292 -13.515
  248   3HE   MET  33          HE3       MET  33 176.911 -10.712 -14.335
  249    H    VAL  34           HN       VAL  34 174.294  -8.165  -9.195
  250    HA   VAL  34           HA       VAL  34 171.632  -8.301  -8.037
  251    HB   VAL  34           HB       VAL  34 172.679  -6.789  -6.096
  252   1HG1  VAL  34          1HG1      VAL  34 173.024  -9.656  -5.539
  253   2HG1  VAL  34          2HG1      VAL  34 171.465  -9.199  -6.226
  254   3HG1  VAL  34          3HG1      VAL  34 172.023  -8.452  -4.729
  255   1HG2  VAL  34          1HG2      VAL  34 174.810  -7.401  -5.387
  256   2HG2  VAL  34          2HG2      VAL  34 174.993  -7.275  -7.136
  257   3HG2  VAL  34          3HG2      VAL  34 174.828  -8.859  -6.378
  258    H    TRP  35           HN       TRP  35 170.523  -6.347  -8.173
  259    HA   TRP  35           HA       TRP  35 171.372  -4.541 -10.126
  260   1HB   TRP  35          HB2       TRP  35 169.322  -4.036  -7.974
  261   2HB   TRP  35          HB1       TRP  35 169.537  -3.117  -9.455
  262    HD1  TRP  35           HD1      TRP  35 167.101  -5.232  -8.257
  263    HE1  TRP  35           HE1      TRP  35 166.033  -6.704 -10.057
  264    HE3  TRP  35           HE3      TRP  35 170.683  -4.838 -11.885
  265    HZ2  TRP  35           HZ2      TRP  35 166.613  -7.606 -12.668
  266    HZ3  TRP  35           HZ3      TRP  35 170.348  -6.038 -14.006
  267    HH2  TRP  35           HH2      TRP  35 168.354  -7.394 -14.388
  268    H    SER  36           HN       SER  36 173.057  -3.347  -9.990
  269    HA   SER  36           HA       SER  36 174.567  -2.514  -7.915
  270   1HB   SER  36          HB2       SER  36 174.826  -0.343  -9.507
  271   2HB   SER  36          HB1       SER  36 175.589  -1.894  -9.841
  272    HG   SER  36           HG       SER  36 174.075  -2.331 -11.340
  273    H    ILE  37           HN       ILE  37 174.802  -0.584  -6.689
  274    HA   ILE  37           HA       ILE  37 172.513   0.332  -5.446
  275    HB   ILE  37           HB       ILE  37 175.089   1.889  -5.480
  276   1HG1  ILE  37          2HG1      ILE  37 175.826  -0.393  -5.186
  277   2HG1  ILE  37          1HG1      ILE  37 175.825   0.379  -3.605
  278   1HG2  ILE  37          1HG2      ILE  37 174.450   2.187  -3.112
  279   2HG2  ILE  37          2HG2      ILE  37 172.964   1.307  -3.458
  280   3HG2  ILE  37          3HG2      ILE  37 173.284   2.842  -4.260
  281   1HD1  ILE  37          HD11      ILE  37 174.136  -1.804  -4.650
  282   2HD1  ILE  37          HD12      ILE  37 173.380  -0.660  -3.540
  283   3HD1  ILE  37          HD13      ILE  37 174.814  -1.559  -3.041
  284    H    ASN  38           HN       ASN  38 171.639   2.471  -5.351
  285    HA   ASN  38           HA       ASN  38 171.936   3.987  -7.860
  286   1HB   ASN  38          HB2       ASN  38 169.723   2.654  -7.384
  287   2HB   ASN  38          HB1       ASN  38 169.370   4.004  -6.311
  288   1HD2  ASN  38          HD21      ASN  38 170.831   3.680  -9.531
  289   2HD2  ASN  38          HD22      ASN  38 169.805   4.839 -10.298
  290    H    LEU  39           HN       LEU  39 173.621   4.761  -6.073
  291    HA   LEU  39           HA       LEU  39 173.271   6.244  -3.909
  292   1HB   LEU  39          HB2       LEU  39 174.800   7.466  -6.180
  293   2HB   LEU  39          HB1       LEU  39 175.146   7.549  -4.466
  294    HG   LEU  39           HG       LEU  39 176.760   6.091  -5.194
  295   1HD1  LEU  39          HD11      LEU  39 176.376   4.219  -4.015
  296   2HD1  LEU  39          HD12      LEU  39 174.884   3.858  -4.879
  297   3HD1  LEU  39          HD13      LEU  39 174.881   5.045  -3.576
  298   1HD2  LEU  39          HD21      LEU  39 174.898   5.585  -7.343
  299   2HD2  LEU  39          HD22      LEU  39 175.687   4.111  -6.784
  300   3HD2  LEU  39          HD23      LEU  39 176.658   5.481  -7.323
  301    H    THR  40           HN       THR  40 172.278   7.263  -7.102
  302    HA   THR  40           HA       THR  40 171.763   9.927  -6.776
  303    HB   THR  40           HB       THR  40 171.374   9.169  -8.925
  304    HG1  THR  40           1HG      THR  40 169.703  10.447  -8.896
  305   1HG2  THR  40          1HG2      THR  40 170.452   6.785  -7.706
  306   2HG2  THR  40          2HG2      THR  40 170.846   7.083  -9.398
  307   3HG2  THR  40          3HG2      THR  40 169.206   7.360  -8.812
  308    H    ALA  41           HN       ALA  41 169.201   7.463  -6.350
  309    HA   ALA  41           HA       ALA  41 168.215   8.935  -4.032
  310   1HB   ALA  41          HB1       ALA  41 165.896   8.922  -4.933
  311   2HB   ALA  41          HB2       ALA  41 166.551   8.416  -6.491
  312   3HB   ALA  41          HB3       ALA  41 166.998   9.982  -5.813
  313    H    GLY  42           HN       GLY  42 167.022   7.692  -2.589
  314   1HA   GLY  42          HA2       GLY  42 166.518   5.744  -1.472
  315   2HA   GLY  42          HA1       GLY  42 165.814   5.248  -3.004
  316    H    MET  43           HN       MET  43 169.210   5.946  -2.639
  317    HA   MET  43           HA       MET  43 170.055   3.560  -3.804
  318   1HB   MET  43          HB2       MET  43 172.298   4.206  -3.122
  319   2HB   MET  43          HB1       MET  43 171.412   5.598  -3.704
  320   1HG   MET  43          HG2       MET  43 172.509   6.412  -1.853
  321   2HG   MET  43          HG1       MET  43 170.886   6.083  -1.258
  322   1HE   MET  43          HE1       MET  43 173.107   2.664  -1.564
  323   2HE   MET  43          HE2       MET  43 174.455   3.282  -0.610
  324   3HE   MET  43          HE3       MET  43 173.984   4.096  -2.101
  325    H    TYR  44           HN       TYR  44 169.401   4.353  -0.462
  326    HA   TYR  44           HA       TYR  44 170.730   2.202   0.762
  327   1HB   TYR  44          HB2       TYR  44 168.169   3.506   1.702
  328   2HB   TYR  44          HB1       TYR  44 169.339   2.638   2.691
  329    HD1  TYR  44           HD1      TYR  44 171.628   3.638   3.022
  330    HD2  TYR  44           HD2      TYR  44 168.427   5.808   1.247
  331    HE1  TYR  44           HE1      TYR  44 172.814   5.745   3.471
  332    HE2  TYR  44           HE2      TYR  44 169.605   7.920   1.691
  333    HH   TYR  44           HH       TYR  44 171.907   8.699   2.078
  334    H    CYS  45           HN       CYS  45 167.288   2.532  -0.100
  335    HA   CYS  45           HA       CYS  45 166.566  -0.107   0.515
  336   1HB   CYS  45          HB2       CYS  45 165.349   1.892  -1.395
  337   2HB   CYS  45          HB1       CYS  45 164.613   0.336  -1.028
  338    H    ALA  46           HN       ALA  46 168.344   1.179  -2.119
  339    HA   ALA  46           HA       ALA  46 167.720  -0.864  -4.026
  340   1HB   ALA  46          HB1       ALA  46 169.299   0.149  -5.427
  341   2HB   ALA  46          HB2       ALA  46 170.199   0.828  -4.070
  342   3HB   ALA  46          HB3       ALA  46 168.618   1.484  -4.496
  343    H    ALA  47           HN       ALA  47 170.556  -0.188  -1.981
  344    HA   ALA  47           HA       ALA  47 171.908  -2.591  -2.668
  345   1HB   ALA  47          HB1       ALA  47 172.432  -1.144  -0.108
  346   2HB   ALA  47          HB2       ALA  47 172.823  -0.377  -1.647
  347   3HB   ALA  47          HB3       ALA  47 173.568  -1.916  -1.214
  348    H    LEU  48           HN       LEU  48 169.464  -1.788  -0.336
  349    HA   LEU  48           HA       LEU  48 169.901  -4.087   1.327
  350   1HB   LEU  48          HB2       LEU  48 168.971  -2.108   2.317
  351   2HB   LEU  48          HB1       LEU  48 167.681  -2.058   1.134
  352    HG   LEU  48           HG       LEU  48 166.849  -4.237   2.078
  353   1HD1  LEU  48          HD11      LEU  48 167.726  -4.276   4.633
  354   2HD1  LEU  48          HD12      LEU  48 169.199  -3.795   3.790
  355   3HD1  LEU  48          HD13      LEU  48 168.378  -5.292   3.347
  356   1HD2  LEU  48          HD21      LEU  48 166.276  -2.914   4.376
  357   2HD2  LEU  48          HD22      LEU  48 165.459  -2.645   2.837
  358   3HD2  LEU  48          HD23      LEU  48 166.777  -1.584   3.332
  359    H    GLU  49           HN       GLU  49 167.598  -3.089  -1.156
  360    HA   GLU  49           HA       GLU  49 166.024  -5.410  -1.048
  361   1HB   GLU  49          HB2       GLU  49 164.964  -4.636  -3.035
  362   2HB   GLU  49          HB1       GLU  49 165.347  -3.216  -2.073
  363   1HG   GLU  49          HG2       GLU  49 167.212  -2.691  -3.472
  364   2HG   GLU  49          HG1       GLU  49 167.040  -4.208  -4.352
  365    H    SER  50           HN       SER  50 168.921  -4.581  -2.825
  366    HA   SER  50           HA       SER  50 168.825  -6.927  -4.491
  367   1HB   SER  50          HB2       SER  50 170.335  -4.498  -4.408
  368   2HB   SER  50          HB1       SER  50 171.461  -5.856  -4.419
  369    HG   SER  50           HG       SER  50 170.161  -6.656  -6.235
  370    H    LEU  51           HN       LEU  51 170.564  -5.908  -1.583
  371    HA   LEU  51           HA       LEU  51 172.259  -8.144  -1.387
  372   1HB   LEU  51          HB2       LEU  51 171.258  -6.092   0.550
  373   2HB   LEU  51          HB1       LEU  51 172.205  -7.449   1.118
  374    HG   LEU  51           HG       LEU  51 173.173  -5.578  -1.033
  375   1HD1  LEU  51          HD11      LEU  51 173.224  -4.041   0.607
  376   2HD1  LEU  51          HD12      LEU  51 174.651  -4.935   1.132
  377   3HD1  LEU  51          HD13      LEU  51 173.087  -5.245   1.887
  378   1HD2  LEU  51          HD21      LEU  51 175.116  -6.720  -0.990
  379   2HD2  LEU  51          HD22      LEU  51 174.090  -8.026  -0.397
  380   3HD2  LEU  51          HD23      LEU  51 175.013  -7.045   0.741
  381    H    ILE  52           HN       ILE  52 169.059  -7.476  -0.006
  382    HA   ILE  52           HA       ILE  52 168.847  -9.793   1.558
  383    HB   ILE  52           HB       ILE  52 167.323  -7.880   1.793
  384   1HG1  ILE  52          2HG1      ILE  52 165.914 -10.472   1.119
  385   2HG1  ILE  52          1HG1      ILE  52 166.654 -10.076   2.667
  386   1HG2  ILE  52          1HG2      ILE  52 166.101  -8.830  -0.793
  387   2HG2  ILE  52          2HG2      ILE  52 167.063  -7.367  -0.589
  388   3HG2  ILE  52          3HG2      ILE  52 165.506  -7.518   0.225
  389   1HD1  ILE  52          HD11      ILE  52 164.726  -8.083   1.819
  390   2HD1  ILE  52          HD12      ILE  52 164.857  -8.962   3.342
  391   3HD1  ILE  52          HD13      ILE  52 164.025  -9.693   1.969
  392    H    ASN  53           HN       ASN  53 167.974  -9.170  -1.813
  393    HA   ASN  53           HA       ASN  53 166.688 -11.607  -2.334
  394   1HB   ASN  53          HB2       ASN  53 167.963  -9.484  -3.980
  395   2HB   ASN  53          HB1       ASN  53 167.686 -11.042  -4.754
  396   1HD2  ASN  53          HD21      ASN  53 166.341  -9.369  -6.009
  397   2HD2  ASN  53          HD22      ASN  53 164.687  -9.240  -5.530
  398    H    VAL  54           HN       VAL  54 170.011 -10.869  -1.860
  399    HA   VAL  54           HA       VAL  54 171.269 -12.849  -3.373
  400    HB   VAL  54           HB       VAL  54 172.122 -11.802  -0.667
  401   1HG1  VAL  54          1HG1      VAL  54 173.833 -12.965  -2.858
  402   2HG1  VAL  54          2HG1      VAL  54 173.264 -13.883  -1.463
  403   3HG1  VAL  54          3HG1      VAL  54 174.333 -12.500  -1.232
  404   1HG2  VAL  54          1HG2      VAL  54 172.784 -10.795  -3.434
  405   2HG2  VAL  54          2HG2      VAL  54 173.463 -10.186  -1.924
  406   3HG2  VAL  54          3HG2      VAL  54 171.743  -9.991  -2.259
  407    H    SER  55           HN       SER  55 171.815 -14.967  -2.995
  408    HA   SER  55           HA       SER  55 170.810 -16.233  -0.549
  409   1HB   SER  55          HB2       SER  55 170.436 -17.703  -3.119
  410   2HB   SER  55          HB1       SER  55 169.498 -17.789  -1.628
  411    HG   SER  55           HG       SER  55 169.034 -16.325  -3.821
  412    H    GLY  56           HN       GLY  56 172.187 -17.670   0.312
  413   1HA   GLY  56          HA2       GLY  56 173.790 -19.416   0.227
  414   2HA   GLY  56          HA1       GLY  56 174.224 -18.904  -1.397
  415    H    CYS  57           HN       CYS  57 173.902 -16.496   1.067
  416    HA   CYS  57           HA       CYS  57 176.813 -16.415   1.437
  417   1HB   CYS  57          HB2       CYS  57 175.084 -14.422   0.159
  418   2HB   CYS  57          HB1       CYS  57 176.077 -13.759   1.447
  419    H    SER  58           HN       SER  58 174.212 -14.235   2.451
  420    HA   SER  58           HA       SER  58 173.435 -13.606   4.484
  421   1HB   SER  58          HB2       SER  58 173.435 -16.339   4.541
  422   2HB   SER  58          HB1       SER  58 174.404 -15.957   5.966
  423    HG   SER  58           HG       SER  58 172.428 -15.822   6.774
  424    H    ALA  59           HN       ALA  59 176.469 -13.476   3.722
  425    HA   ALA  59           HA       ALA  59 177.669 -13.199   6.353
  426   1HB   ALA  59          HB1       ALA  59 178.828 -12.642   3.622
  427   2HB   ALA  59          HB2       ALA  59 178.990 -14.151   4.521
  428   3HB   ALA  59          HB3       ALA  59 179.721 -12.671   5.143
  429    H    ILE  60           HN       ILE  60 176.420 -11.226   3.766
  430    HA   ILE  60           HA       ILE  60 177.340  -8.738   4.863
  431    HB   ILE  60           HB       ILE  60 175.940  -7.775   3.050
  432   1HG1  ILE  60          2HG1      ILE  60 175.426  -9.858   1.353
  433   2HG1  ILE  60          1HG1      ILE  60 175.031 -10.560   2.915
  434   1HG2  ILE  60          1HG2      ILE  60 177.754  -9.921   2.005
  435   2HG2  ILE  60          2HG2      ILE  60 178.351  -8.470   2.810
  436   3HG2  ILE  60          3HG2      ILE  60 177.434  -8.333   1.309
  437   1HD1  ILE  60          HD11      ILE  60 173.929  -7.900   2.576
  438   2HD1  ILE  60          HD12      ILE  60 173.154  -9.403   3.077
  439   3HD1  ILE  60          HD13      ILE  60 173.365  -9.048   1.362
  440    H    GLU  61           HN       GLU  61 175.057 -10.767   5.966
  441    HA   GLU  61           HA       GLU  61 172.640  -9.590   6.183
  442   1HB   GLU  61          HB2       GLU  61 174.243 -11.318   7.937
  443   2HB   GLU  61          HB1       GLU  61 172.970 -10.428   8.760
  444   1HG   GLU  61          HG2       GLU  61 172.101 -11.684   6.274
  445   2HG   GLU  61          HG1       GLU  61 172.673 -12.825   7.491
  446    H    LYS  62           HN       LYS  62 175.480  -8.731   8.087
  447    HA   LYS  62           HA       LYS  62 174.300  -6.858   9.786
  448   1HB   LYS  62          HB2       LYS  62 177.055  -7.379   8.803
  449   2HB   LYS  62          HB1       LYS  62 176.753  -5.798   9.512
  450   1HG   LYS  62          HG2       LYS  62 175.644  -7.297  11.407
  451   2HG   LYS  62          HG1       LYS  62 176.801  -8.471  10.778
  452   1HD   LYS  62          HD2       LYS  62 178.636  -7.125  11.314
  453   2HD   LYS  62          HD1       LYS  62 177.642  -5.674  11.462
  454   1HE   LYS  62          HE2       LYS  62 176.929  -6.211  13.568
  455   2HE   LYS  62          HE1       LYS  62 177.085  -7.946  13.295
  456   1HZ   LYS  62          HZ1       LYS  62 179.356  -6.066  13.658
  457   2HZ   LYS  62          HZ2       LYS  62 179.471  -7.743  13.468
  458   3HZ   LYS  62          HZ3       LYS  62 178.746  -7.097  14.853
  459    H    THR  63           HN       THR  63 175.715  -6.475   6.569
  460    HA   THR  63           HA       THR  63 175.365  -3.682   6.379
  461    HB   THR  63           HB       THR  63 175.586  -5.818   4.251
  462    HG1  THR  63           1HG      THR  63 177.432  -5.479   5.570
  463   1HG2  THR  63          1HG2      THR  63 176.129  -4.093   2.661
  464   2HG2  THR  63          2HG2      THR  63 175.859  -2.846   3.879
  465   3HG2  THR  63          3HG2      THR  63 174.509  -3.827   3.308
  466    H    GLN  64           HN       GLN  64 173.284  -6.418   5.704
  467    HA   GLN  64           HA       GLN  64 171.285  -5.105   4.242
  468   1HB   GLN  64          HB2       GLN  64 171.032  -7.456   6.127
  469   2HB   GLN  64          HB1       GLN  64 169.810  -6.955   4.968
  470   1HG   GLN  64          HG2       GLN  64 171.501  -7.328   3.162
  471   2HG   GLN  64          HG1       GLN  64 172.550  -8.041   4.388
  472   1HE2  GLN  64          1HE2      GLN  64 171.357  -9.246   2.016
  473   2HE2  GLN  64          2HE2      GLN  64 170.428 -10.590   2.574
  474    H    ARG  65           HN       ARG  65 171.287  -5.933   7.716
  475    HA   ARG  65           HA       ARG  65 168.992  -4.566   8.378
  476   1HB   ARG  65          HB2       ARG  65 169.483  -5.050  10.572
  477   2HB   ARG  65          HB1       ARG  65 170.490  -6.221   9.738
  478   1HG   ARG  65          HG2       ARG  65 172.438  -4.817  10.049
  479   2HG   ARG  65          HG1       ARG  65 171.444  -3.578  10.818
  480   1HD   ARG  65          HD2       ARG  65 171.069  -4.886  12.712
  481   2HD   ARG  65          HD1       ARG  65 171.522  -6.377  11.886
  482    HE   ARG  65           HE       ARG  65 173.705  -5.968  12.427
  483   1HH1  ARG  65          HH11      ARG  65 171.880  -3.022  12.839
  484   2HH1  ARG  65          HH12      ARG  65 173.193  -2.164  13.572
  485   1HH2  ARG  65          HH21      ARG  65 175.433  -4.840  13.390
  486   2HH2  ARG  65          HH22      ARG  65 175.211  -3.195  13.884
  487    H    MET  66           HN       MET  66 172.356  -3.454   8.633
  488    HA   MET  66           HA       MET  66 171.827  -0.913   9.637
  489   1HB   MET  66          HB2       MET  66 174.054  -0.452   9.285
  490   2HB   MET  66          HB1       MET  66 174.071  -2.206   9.282
  491   1HG   MET  66          HG2       MET  66 175.199  -2.044   7.384
  492   2HG   MET  66          HG1       MET  66 173.669  -1.600   6.634
  493   1HE   MET  66          HE1       MET  66 176.076  -0.246   9.047
  494   2HE   MET  66          HE2       MET  66 175.862   1.494   8.851
  495   3HE   MET  66          HE3       MET  66 177.177   0.668   8.015
  496    H    LEU  67           HN       LEU  67 171.645  -2.137   6.373
  497    HA   LEU  67           HA       LEU  67 171.465   0.423   5.111
  498   1HB   LEU  67          HB2       LEU  67 171.026  -2.409   4.267
  499   2HB   LEU  67          HB1       LEU  67 170.425  -1.116   3.249
  500    HG   LEU  67           HG       LEU  67 173.303  -1.508   4.074
  501   1HD1  LEU  67          HD11      LEU  67 171.796  -2.091   1.543
  502   2HD1  LEU  67          HD12      LEU  67 172.801  -3.178   2.501
  503   3HD1  LEU  67          HD13      LEU  67 173.546  -1.878   1.573
  504   1HD2  LEU  67          HD21      LEU  67 173.420   0.230   2.054
  505   2HD2  LEU  67          HD22      LEU  67 173.295   0.735   3.739
  506   3HD2  LEU  67          HD23      LEU  67 171.854   0.691   2.723
  507    H    SER  68           HN       SER  68 169.140  -2.022   6.176
  508    HA   SER  68           HA       SER  68 166.815  -0.862   5.166
  509   1HB   SER  68          HB2       SER  68 167.040  -3.157   6.216
  510   2HB   SER  68          HB1       SER  68 167.000  -2.355   7.786
  511    HG   SER  68           HG       SER  68 164.971  -2.670   5.887
  512    H    GLY  69           HN       GLY  69 168.522  -0.328   8.197
  513   1HA   GLY  69          HA2       GLY  69 166.773   1.262   9.564
  514   2HA   GLY  69          HA1       GLY  69 168.513   1.473   9.618
  515    H    PHE  70           HN       PHE  70 168.541   2.069   6.682
  516    HA   PHE  70           HA       PHE  70 167.642   4.861   6.896
  517   1HB   PHE  70          HB2       PHE  70 169.980   3.557   5.579
  518   2HB   PHE  70          HB1       PHE  70 169.325   5.020   4.851
  519    HD1  PHE  70           HD1      PHE  70 170.599   3.659   8.064
  520    HD2  PHE  70           HD2      PHE  70 169.948   7.105   5.653
  521    HE1  PHE  70           HE1      PHE  70 171.865   5.021   9.675
  522    HE2  PHE  70           HE2      PHE  70 171.214   8.473   7.259
  523    HZ   PHE  70           HZ       PHE  70 172.175   7.431   9.274
  524    H    CYS  71           HN       CYS  71 167.418   1.946   5.004
  525    HA   CYS  71           HA       CYS  71 166.562   2.719   2.552
  526   1HB   CYS  71          HB2       CYS  71 166.719   0.401   3.023
  527   2HB   CYS  71          HB1       CYS  71 165.550   0.508   4.331
  528    HA   PRO  72           HA       PRO  72 162.963   5.172   3.822
  529   1HB   PRO  72          HB2       PRO  72 162.981   6.872   1.763
  530   2HB   PRO  72          HB1       PRO  72 164.179   6.994   3.058
  531   1HG   PRO  72          HG2       PRO  72 164.456   5.798   0.328
  532   2HG   PRO  72          HG1       PRO  72 165.592   6.827   1.219
  533   1HD   PRO  72          HD2       PRO  72 165.777   4.082   1.064
  534   2HD   PRO  72          HD1       PRO  72 166.465   5.062   2.375
  535    H    HIS  73           HN       HIS  73 162.404   2.666   2.833
  536    HA   HIS  73           HA       HIS  73 159.947   3.001   1.570
  537   1HB   HIS  73          HB2       HIS  73 162.215   2.889  -0.265
  538   2HB   HIS  73          HB1       HIS  73 161.018   1.644  -0.596
  539    HD1  HIS  73           HD1      HIS  73 158.518   3.416   0.207
  540    HD2  HIS  73           HD2      HIS  73 161.565   4.518  -2.394
  541    HE1  HIS  73           HE1      HIS  73 157.528   5.191  -1.275
  542    HE2  HIS  73           HE2      HIS  73 159.415   5.902  -2.785
  543    H    LYS  74           HN       LYS  74 159.526   0.694   0.227
  544    HA   LYS  74           HA       LYS  74 159.782  -1.273   2.341
  545   1HB   LYS  74          HB2       LYS  74 157.751  -0.704   0.659
  546   2HB   LYS  74          HB1       LYS  74 158.511  -2.017  -0.229
  547   1HG   LYS  74          HG2       LYS  74 156.739  -2.850   1.200
  548   2HG   LYS  74          HG1       LYS  74 158.307  -3.463   1.730
  549   1HD   LYS  74          HD2       LYS  74 158.235  -2.332   3.688
  550   2HD   LYS  74          HD1       LYS  74 157.421  -0.938   2.973
  551   1HE   LYS  74          HE2       LYS  74 155.827  -3.409   3.093
  552   2HE   LYS  74          HE1       LYS  74 156.242  -2.704   4.655
  553   1HZ   LYS  74          HZ1       LYS  74 155.444  -0.539   3.346
  554   2HZ   LYS  74          HZ2       LYS  74 154.394  -1.508   4.251
  555   3HZ   LYS  74          HZ3       LYS  74 154.483  -1.697   2.573
  556    H    VAL  75           HN       VAL  75 160.756  -3.292   2.145
  557    HA   VAL  75           HA       VAL  75 162.144  -4.032  -0.267
  558    HB   VAL  75           HB       VAL  75 163.684  -3.246   2.209
  559   1HG1  VAL  75          1HG1      VAL  75 165.616  -4.019   0.523
  560   2HG1  VAL  75          2HG1      VAL  75 164.353  -5.157   0.054
  561   3HG1  VAL  75          3HG1      VAL  75 164.905  -5.093   1.728
  562   1HG2  VAL  75          1HG2      VAL  75 163.831  -2.343  -0.664
  563   2HG2  VAL  75          2HG2      VAL  75 164.947  -1.849   0.609
  564   3HG2  VAL  75          3HG2      VAL  75 163.244  -1.407   0.710
  565    H    SER  76           HN       SER  76 160.991  -5.948  -0.165
  566    HA   SER  76           HA       SER  76 161.956  -7.889   1.602
  567   1HB   SER  76          HB2       SER  76 159.297  -8.482   1.591
  568   2HB   SER  76          HB1       SER  76 160.261  -7.814   2.878
  569    HG   SER  76           HG       SER  76 158.960  -6.204   0.976
  570    H    ALA  77           HN       ALA  77 162.559  -9.215   0.437
  571    HA   ALA  77           HA       ALA  77 162.970 -10.722  -1.252
  572   1HB   ALA  77          HB1       ALA  77 161.358 -12.283  -1.428
  573   2HB   ALA  77          HB2       ALA  77 160.117 -11.107  -1.861
  574   3HB   ALA  77          HB3       ALA  77 160.572 -11.326  -0.172
  575    H    GLY  78           HN       GLY  78 162.242 -11.328  -3.619
  576   1HA   GLY  78          HA2       GLY  78 162.168  -8.777  -5.073
  577   2HA   GLY  78          HA1       GLY  78 162.760 -10.305  -5.708
  578    H    GLN  79           HN       GLN  79 159.750 -10.154  -3.969
  579    HA   GLN  79           HA       GLN  79 157.605 -10.590  -4.589
  580   1HB   GLN  79          HB2       GLN  79 158.323  -8.396  -5.961
  581   2HB   GLN  79          HB1       GLN  79 157.988  -9.471  -7.311
  582   1HG   GLN  79          HG2       GLN  79 155.821  -9.844  -5.655
  583   2HG   GLN  79          HG1       GLN  79 156.164  -8.121  -5.503
  584   1HE2  GLN  79          1HE2      GLN  79 154.384  -7.430  -6.614
  585   2HE2  GLN  79          2HE2      GLN  79 154.165  -7.680  -8.309
  586    H    PHE  80           HN       PHE  80 156.215 -11.690  -6.311
  587    HA   PHE  80           HA       PHE  80 157.260 -14.209  -6.876
  588   1HB   PHE  80          HB2       PHE  80 154.936 -12.975  -8.344
  589   2HB   PHE  80          HB1       PHE  80 155.196 -14.662  -7.935
  590    HD1  PHE  80           HD1      PHE  80 155.008 -15.394  -5.556
  591    HD2  PHE  80           HD2      PHE  80 153.843 -11.514  -6.858
  592    HE1  PHE  80           HE1      PHE  80 153.681 -15.108  -3.504
  593    HE2  PHE  80           HE2      PHE  80 152.515 -11.220  -4.808
  594    HZ   PHE  80           HZ       PHE  80 152.433 -13.019  -3.127
  595    H    SER  81           HN       SER  81 157.163 -11.275  -8.773
  596    HA   SER  81           HA       SER  81 159.141 -12.245 -10.575
  597   1HB   SER  81          HB2       SER  81 157.432 -11.700 -12.576
  598   2HB   SER  81          HB1       SER  81 157.646 -13.325 -11.926
  599    HG   SER  81           HG       SER  81 155.785 -13.126 -10.789
  600    H    SER  82           HN       SER  82 160.273 -10.572 -11.365
  601    HA   SER  82           HA       SER  82 159.699  -7.938 -10.533
  602   1HB   SER  82          HB2       SER  82 161.552  -7.497 -12.417
  603   2HB   SER  82          HB1       SER  82 161.956  -8.168 -10.837
  604    HG   SER  82           HG       SER  82 162.378 -10.040 -11.731
  605    H    LEU  83           HN       LEU  83 158.636  -6.304 -11.479
  606    HA   LEU  83           HA       LEU  83 157.496  -6.795 -14.145
  607   1HB   LEU  83          HB2       LEU  83 156.523  -5.340 -11.729
  608   2HB   LEU  83          HB1       LEU  83 155.983  -4.798 -13.307
  609    HG   LEU  83           HG       LEU  83 154.329  -6.282 -12.410
  610   1HD1  LEU  83          HD11      LEU  83 155.337  -6.517 -14.875
  611   2HD1  LEU  83          HD12      LEU  83 153.991  -7.493 -14.288
  612   3HD1  LEU  83          HD13      LEU  83 155.625  -8.156 -14.290
  613   1HD2  LEU  83          HD21      LEU  83 154.723  -8.243 -11.343
  614   2HD2  LEU  83          HD22      LEU  83 156.273  -7.467 -11.020
  615   3HD2  LEU  83          HD23      LEU  83 156.127  -8.631 -12.336
  616    H    HIS  84           HN       HIS  84 159.268  -4.499 -12.182
  617    HA   HIS  84           HA       HIS  84 160.286  -3.209 -14.552
  618   1HB   HIS  84          HB2       HIS  84 158.733  -1.570 -12.539
  619   2HB   HIS  84          HB1       HIS  84 159.582  -0.953 -13.952
  620    HD1  HIS  84           HD1      HIS  84 158.602  -2.045 -16.315
  621    HD2  HIS  84           HD2      HIS  84 156.106  -2.002 -12.993
  622    HE1  HIS  84           HE1      HIS  84 156.273  -2.318 -17.221
  623    HE2  HIS  84           HE2      HIS  84 154.789  -2.382 -15.187
  624    H    VAL  85           HN       VAL  85 161.287  -4.738 -12.254
  625    HA   VAL  85           HA       VAL  85 163.070  -2.718 -11.066
  626    HB   VAL  85           HB       VAL  85 163.417  -4.883  -9.460
  627   1HG1  VAL  85          1HG1      VAL  85 161.668  -3.675  -7.968
  628   2HG1  VAL  85          2HG1      VAL  85 161.633  -2.495  -9.278
  629   3HG1  VAL  85          3HG1      VAL  85 163.145  -2.833  -8.435
  630   1HG2  VAL  85          1HG2      VAL  85 161.161  -5.719  -8.869
  631   2HG2  VAL  85          2HG2      VAL  85 161.683  -6.205 -10.482
  632   3HG2  VAL  85          3HG2      VAL  85 160.519  -4.894 -10.290
  633    H    ARG  86           HN       ARG  86 164.210  -3.054 -13.193
  634    HA   ARG  86           HA       ARG  86 166.463  -4.753 -12.768
  635   1HB   ARG  86          HB2       ARG  86 166.167  -6.019 -14.938
  636   2HB   ARG  86          HB1       ARG  86 165.112  -6.508 -13.619
  637   1HG   ARG  86          HG2       ARG  86 163.237  -5.763 -14.654
  638   2HG   ARG  86          HG1       ARG  86 164.081  -4.456 -15.487
  639   1HD   ARG  86          HD2       ARG  86 164.571  -5.738 -17.273
  640   2HD   ARG  86          HD1       ARG  86 164.882  -7.167 -16.289
  641    HE   ARG  86           HE       ARG  86 162.123  -6.624 -16.290
  642   1HH1  ARG  86          HH11      ARG  86 164.640  -7.754 -18.428
  643   2HH1  ARG  86          HH12      ARG  86 163.564  -8.702 -19.398
  644   1HH2  ARG  86          HH21      ARG  86 160.706  -7.871 -17.564
  645   2HH2  ARG  86          HH22      ARG  86 161.330  -8.769 -18.908
  646    H    ASP  87           HN       ASP  87 168.200  -3.851 -13.675
  647    HA   ASP  87           HA       ASP  87 167.919  -2.240 -16.086
  648   1HB   ASP  87          HB2       ASP  87 168.906  -1.192 -13.442
  649   2HB   ASP  87          HB1       ASP  87 169.361  -0.441 -14.968
  650    H    THR  88           HN       THR  88 170.565  -2.315 -13.762
  651    HA   THR  88           HA       THR  88 172.159  -3.847 -15.705
  652    HB   THR  88           HB       THR  88 174.015  -2.305 -14.390
  653    HG1  THR  88           1HG      THR  88 171.813  -0.627 -14.989
  654   1HG2  THR  88          1HG2      THR  88 174.591  -1.793 -16.458
  655   2HG2  THR  88          2HG2      THR  88 173.104  -0.878 -16.703
  656   3HG2  THR  88          3HG2      THR  88 173.133  -2.613 -17.015
  657    H    LYS  89           HN       LYS  89 173.037  -5.631 -14.901
  658    HA   LYS  89           HA       LYS  89 172.940  -6.095 -12.028
  659   1HB   LYS  89          HB2       LYS  89 173.018  -7.765 -14.449
  660   2HB   LYS  89          HB1       LYS  89 173.973  -8.386 -13.110
  661   1HG   LYS  89          HG2       LYS  89 172.162  -9.087 -12.044
  662   2HG   LYS  89          HG1       LYS  89 171.383  -7.512 -12.201
  663   1HD   LYS  89          HD2       LYS  89 170.578  -8.078 -14.403
  664   2HD   LYS  89          HD1       LYS  89 171.474  -9.598 -14.378
  665   1HE   LYS  89          HE2       LYS  89 169.363  -8.931 -12.343
  666   2HE   LYS  89          HE1       LYS  89 168.985  -9.723 -13.873
  667   1HZ   LYS  89          HZ1       LYS  89 171.143 -10.907 -12.332
  668   2HZ   LYS  89          HZ2       LYS  89 169.896 -11.651 -13.198
  669   3HZ   LYS  89          HZ3       LYS  89 169.600 -11.040 -11.649
  670    H    ILE  90           HN       ILE  90 174.675  -6.193 -10.716
  671    HA   ILE  90           HA       ILE  90 177.343  -6.070 -11.963
  672    HB   ILE  90           HB       ILE  90 178.102  -4.599 -10.162
  673   1HG1  ILE  90          2HG1      ILE  90 175.376  -3.882  -9.289
  674   2HG1  ILE  90          1HG1      ILE  90 175.926  -5.470  -8.765
  675   1HG2  ILE  90          1HG2      ILE  90 175.658  -3.448 -11.490
  676   2HG2  ILE  90          2HG2      ILE  90 177.203  -3.695 -12.303
  677   3HG2  ILE  90          3HG2      ILE  90 177.090  -2.578 -10.942
  678   1HD1  ILE  90          HD11      ILE  90 176.347  -3.339  -7.309
  679   2HD1  ILE  90          HD12      ILE  90 177.730  -3.140  -8.386
  680   3HD1  ILE  90          HD13      ILE  90 177.563  -4.610  -7.427
  681    H    GLU  91           HN       GLU  91 179.107  -6.773 -10.526
  682    HA   GLU  91           HA       GLU  91 178.495  -9.283  -9.340
  683   1HB   GLU  91          HB2       GLU  91 180.953  -7.642  -9.726
  684   2HB   GLU  91          HB1       GLU  91 181.002  -8.926  -8.526
  685   1HG   GLU  91          HG2       GLU  91 179.883 -10.181 -10.685
  686   2HG   GLU  91          HG1       GLU  91 181.030  -9.072 -11.436
  687    H    VAL  92           HN       VAL  92 178.088  -9.809  -7.284
  688    HA   VAL  92           HA       VAL  92 177.267  -8.010  -5.384
  689    HB   VAL  92           HB       VAL  92 178.105 -10.023  -3.770
  690   1HG1  VAL  92          1HG1      VAL  92 175.687 -10.580  -5.386
  691   2HG1  VAL  92          2HG1      VAL  92 175.758  -9.044  -4.521
  692   3HG1  VAL  92          3HG1      VAL  92 175.903 -10.562  -3.635
  693   1HG2  VAL  92          1HG2      VAL  92 178.062 -12.117  -4.847
  694   2HG2  VAL  92          2HG2      VAL  92 179.146 -11.115  -5.812
  695   3HG2  VAL  92          3HG2      VAL  92 177.497 -11.411  -6.361
  696    H    ALA  93           HN       ALA  93 180.531  -9.188  -5.975
  697    HA   ALA  93           HA       ALA  93 181.727  -8.236  -3.604
  698   1HB   ALA  93          HB1       ALA  93 183.162  -8.285  -6.239
  699   2HB   ALA  93          HB2       ALA  93 182.706  -9.781  -5.424
  700   3HB   ALA  93          HB3       ALA  93 183.786  -8.637  -4.628
  701    H    GLN  94           HN       GLN  94 181.588  -6.796  -6.853
  702    HA   GLN  94           HA       GLN  94 182.643  -4.284  -6.107
  703   1HB   GLN  94          HB2       GLN  94 181.792  -5.539  -8.483
  704   2HB   GLN  94          HB1       GLN  94 180.807  -4.090  -8.331
  705   1HG   GLN  94          HG2       GLN  94 183.776  -3.970  -8.006
  706   2HG   GLN  94          HG1       GLN  94 183.032  -3.959  -9.604
  707   1HE2  GLN  94          1HE2      GLN  94 182.871  -2.338  -6.461
  708   2HE2  GLN  94          2HE2      GLN  94 182.515  -0.770  -7.091
  709    H    PHE  95           HN       PHE  95 179.564  -5.763  -5.818
  710    HA   PHE  95           HA       PHE  95 177.898  -3.503  -5.644
  711   1HB   PHE  95          HB2       PHE  95 177.309  -6.011  -5.870
  712   2HB   PHE  95          HB1       PHE  95 177.455  -6.050  -4.118
  713    HD1  PHE  95           HD1      PHE  95 175.358  -5.337  -6.881
  714    HD2  PHE  95           HD2      PHE  95 175.990  -4.446  -2.773
  715    HE1  PHE  95           HE1      PHE  95 173.039  -4.580  -6.697
  716    HE2  PHE  95           HE2      PHE  95 173.660  -3.678  -2.577
  717    HZ   PHE  95           HZ       PHE  95 172.176  -3.743  -4.544
  718    H    VAL  96           HN       VAL  96 179.415  -5.491  -3.158
  719    HA   VAL  96           HA       VAL  96 178.595  -3.958  -0.944
  720    HB   VAL  96           HB       VAL  96 181.086  -5.656  -1.139
  721   1HG1  VAL  96          1HG1      VAL  96 179.473  -5.449   1.332
  722   2HG1  VAL  96          2HG1      VAL  96 180.432  -4.041   0.875
  723   3HG1  VAL  96          3HG1      VAL  96 181.217  -5.600   1.122
  724   1HG2  VAL  96          1HG2      VAL  96 178.229  -6.378  -1.067
  725   2HG2  VAL  96          2HG2      VAL  96 179.270  -7.256   0.054
  726   3HG2  VAL  96          3HG2      VAL  96 179.616  -7.283  -1.675
  727    H    LYS  97           HN       LYS  97 181.686  -4.044  -2.698
  728    HA   LYS  97           HA       LYS  97 183.041  -2.081  -1.297
  729   1HB   LYS  97          HB2       LYS  97 183.186  -2.645  -4.263
  730   2HB   LYS  97          HB1       LYS  97 184.391  -1.768  -3.331
  731   1HG   LYS  97          HG2       LYS  97 185.178  -3.661  -2.303
  732   2HG   LYS  97          HG1       LYS  97 183.655  -4.531  -2.501
  733   1HD   LYS  97          HD2       LYS  97 184.071  -4.871  -4.829
  734   2HD   LYS  97          HD1       LYS  97 185.465  -3.790  -4.794
  735   1HE   LYS  97          HE2       LYS  97 186.160  -6.131  -4.821
  736   2HE   LYS  97          HE1       LYS  97 186.640  -5.338  -3.322
  737   1HZ   LYS  97          HZ1       LYS  97 185.162  -6.544  -2.101
  738   2HZ   LYS  97          HZ2       LYS  97 185.497  -7.677  -3.311
  739   3HZ   LYS  97          HZ3       LYS  97 184.079  -6.759  -3.383
  740    H    ASP  98           HN       ASP  98 180.910  -1.656  -4.137
  741    HA   ASP  98           HA       ASP  98 181.224   1.128  -4.264
  742   1HB   ASP  98          HB2       ASP  98 179.453  -0.847  -5.518
  743   2HB   ASP  98          HB1       ASP  98 178.782   0.776  -5.397
  744    H    LEU  99           HN       LEU  99 178.970  -0.893  -2.693
  745    HA   LEU  99           HA       LEU  99 177.122   0.908  -1.716
  746   1HB   LEU  99          HB2       LEU  99 176.566  -1.227  -1.223
  747   2HB   LEU  99          HB1       LEU  99 178.257  -1.696  -1.127
  748    HG   LEU  99           HG       LEU  99 177.993  -0.347   1.215
  749   1HD1  LEU  99          HD11      LEU  99 175.874  -0.977   2.244
  750   2HD1  LEU  99          HD12      LEU  99 175.323  -1.645   0.708
  751   3HD1  LEU  99          HD13      LEU  99 175.619   0.087   0.861
  752   1HD2  LEU  99          HD21      LEU  99 178.937  -2.567   0.961
  753   2HD2  LEU  99          HD22      LEU  99 177.326  -3.242   0.716
  754   3HD2  LEU  99          HD23      LEU  99 177.763  -2.547   2.277
  755    H    LEU 100           HN       LEU 100 180.329   0.017  -0.574
  756    HA   LEU 100           HA       LEU 100 180.350   1.688   1.744
  757   1HB   LEU 100          HB2       LEU 100 181.841  -0.120   1.831
  758   2HB   LEU 100          HB1       LEU 100 182.412   0.154   0.200
  759    HG   LEU 100           HG       LEU 100 182.991   2.326   2.113
  760   1HD1  LEU 100          HD11      LEU 100 183.592   0.796   3.694
  761   2HD1  LEU 100          HD12      LEU 100 185.084   0.868   2.756
  762   3HD1  LEU 100          HD13      LEU 100 183.948  -0.455   2.504
  763   1HD2  LEU 100          HD21      LEU 100 184.535   0.858  -0.018
  764   2HD2  LEU 100          HD22      LEU 100 185.188   2.183   0.947
  765   3HD2  LEU 100          HD23      LEU 100 183.819   2.466  -0.129
  766    H    LEU 101           HN       LEU 101 181.266   2.011  -1.603
  767    HA   LEU 101           HA       LEU 101 182.852   4.273  -1.565
  768   1HB   LEU 101          HB2       LEU 101 182.577   3.108  -3.597
  769   2HB   LEU 101          HB1       LEU 101 180.848   3.218  -3.533
  770    HG   LEU 101           HG       LEU 101 182.279   4.676  -5.204
  771   1HD1  LEU 101          HD11      LEU 101 179.707   4.575  -4.539
  772   2HD1  LEU 101          HD12      LEU 101 180.359   5.805  -5.623
  773   3HD1  LEU 101          HD13      LEU 101 180.077   6.188  -3.926
  774   1HD2  LEU 101          HD21      LEU 101 183.326   5.715  -2.981
  775   2HD2  LEU 101          HD22      LEU 101 181.930   6.778  -3.154
  776   3HD2  LEU 101          HD23      LEU 101 183.107   6.650  -4.461
  777    H    HIS 102           HN       HIS 102 179.435   4.262  -2.396
  778    HA   HIS 102           HA       HIS 102 179.140   7.055  -2.019
  779   1HB   HIS 102          HB2       HIS 102 177.706   5.860  -3.545
  780   2HB   HIS 102          HB1       HIS 102 177.069   4.870  -2.237
  781    HD2  HIS 102           HD2      HIS 102 174.755   5.742  -1.316
  782    HE1  HIS 102           HE1      HIS 102 175.154   9.796  -2.461
  783    HE2  HIS 102           HE2      HIS 102 173.571   8.044  -1.537
  784    H    LEU 103           HN       LEU 103 178.318   4.296   0.098
  785    HA   LEU 103           HA       LEU 103 176.886   5.732   2.000
  786   1HB   LEU 103          HB2       LEU 103 178.495   3.224   2.070
  787   2HB   LEU 103          HB1       LEU 103 177.902   3.900   3.570
  788    HG   LEU 103           HG       LEU 103 176.093   3.290   1.245
  789   1HD1  LEU 103          HD11      LEU 103 175.458   1.269   2.588
  790   2HD1  LEU 103          HD12      LEU 103 176.913   1.542   3.548
  791   3HD1  LEU 103          HD13      LEU 103 177.044   1.207   1.822
  792   1HD2  LEU 103          HD21      LEU 103 174.819   4.617   2.562
  793   2HD2  LEU 103          HD22      LEU 103 175.757   4.269   4.014
  794   3HD2  LEU 103          HD23      LEU 103 174.569   3.103   3.430
  795    H    LYS 104           HN       LYS 104 180.382   4.983   1.991
  796    HA   LYS 104           HA       LYS 104 180.931   6.444   4.343
  797   1HB   LYS 104          HB2       LYS 104 183.194   6.023   3.931
  798   2HB   LYS 104          HB1       LYS 104 182.372   4.656   3.196
  799   1HG   LYS 104          HG2       LYS 104 182.500   6.082   1.028
  800   2HG   LYS 104          HG1       LYS 104 183.772   6.945   1.893
  801   1HD   LYS 104          HD2       LYS 104 183.683   3.982   1.354
  802   2HD   LYS 104          HD1       LYS 104 184.698   5.155   0.515
  803   1HE   LYS 104          HE2       LYS 104 186.131   4.217   2.098
  804   2HE   LYS 104          HE1       LYS 104 185.614   5.728   2.844
  805   1HZ   LYS 104          HZ1       LYS 104 185.521   3.334   4.044
  806   2HZ   LYS 104          HZ2       LYS 104 183.943   3.447   3.446
  807   3HZ   LYS 104          HZ3       LYS 104 184.545   4.649   4.471
  808    H    LYS 105           HN       LYS 105 181.053   7.338   0.900
  809    HA   LYS 105           HA       LYS 105 182.207   9.880   1.305
  810   1HB   LYS 105          HB2       LYS 105 181.051   8.378  -0.881
  811   2HB   LYS 105          HB1       LYS 105 180.597  10.073  -0.973
  812   1HG   LYS 105          HG2       LYS 105 182.671  10.725  -1.514
  813   2HG   LYS 105          HG1       LYS 105 183.418   9.613  -0.364
  814   1HD   LYS 105          HD2       LYS 105 183.110   7.768  -1.905
  815   2HD   LYS 105          HD1       LYS 105 182.283   8.830  -3.046
  816   1HE   LYS 105          HE2       LYS 105 184.673  10.129  -2.554
  817   2HE   LYS 105          HE1       LYS 105 185.127   8.426  -2.597
  818   1HZ   LYS 105          HZ1       LYS 105 183.534   8.582  -4.727
  819   2HZ   LYS 105          HZ2       LYS 105 185.209   8.801  -4.795
  820   3HZ   LYS 105          HZ3       LYS 105 184.184  10.144  -4.732
  821    H    LEU 106           HN       LEU 106 178.974   8.726   1.752
  822    HA   LEU 106           HA       LEU 106 177.779  11.337   1.661
  823   1HB   LEU 106          HB2       LEU 106 175.809  10.267   1.585
  824   2HB   LEU 106          HB1       LEU 106 176.801   8.887   1.183
  825    HG   LEU 106           HG       LEU 106 176.785   8.406   3.729
  826   1HD1  LEU 106          HD11      LEU 106 174.130   9.613   3.885
  827   2HD1  LEU 106          HD12      LEU 106 175.446  10.786   3.834
  828   3HD1  LEU 106          HD13      LEU 106 175.420   9.544   5.086
  829   1HD2  LEU 106          HD21      LEU 106 175.564   7.225   1.797
  830   2HD2  LEU 106          HD22      LEU 106 174.133   8.074   2.381
  831   3HD2  LEU 106          HD23      LEU 106 174.990   6.957   3.443
  832    H    PHE 107           HN       PHE 107 178.556   8.968   4.159
  833    HA   PHE 107           HA       PHE 107 177.616  10.620   6.292
  834   1HB   PHE 107          HB2       PHE 107 178.140   7.988   6.159
  835   2HB   PHE 107          HB1       PHE 107 179.660   8.530   6.858
  836    HD1  PHE 107           HD1      PHE 107 177.957  10.941   8.227
  837    HD2  PHE 107           HD2      PHE 107 177.842   6.691   8.253
  838    HE1  PHE 107           HE1      PHE 107 176.901  10.988  10.447
  839    HE2  PHE 107           HE2      PHE 107 176.781   6.728  10.471
  840    HZ   PHE 107           HZ       PHE 107 176.310   8.880  11.572
  841    H    ARG 108           HN       ARG 108 180.487  10.465   4.430
  842    HA   ARG 108           HA       ARG 108 182.103  11.854   6.414
  843   1HB   ARG 108          HB2       ARG 108 182.613  10.734   3.679
  844   2HB   ARG 108          HB1       ARG 108 183.740  11.886   4.382
  845   1HG   ARG 108          HG2       ARG 108 184.349  10.436   6.093
  846   2HG   ARG 108          HG1       ARG 108 182.908   9.438   5.889
  847   1HD   ARG 108          HD2       ARG 108 185.057   8.433   5.043
  848   2HD   ARG 108          HD1       ARG 108 183.735   8.496   3.879
  849    HE   ARG 108           HE       ARG 108 184.986   9.913   2.593
  850   1HH1  ARG 108          HH11      ARG 108 186.360   9.805   5.799
  851   2HH1  ARG 108          HH12      ARG 108 187.761  10.724   5.365
  852   1HH2  ARG 108          HH21      ARG 108 186.829  11.122   2.020
  853   2HH2  ARG 108          HH22      ARG 108 188.028  11.473   3.220
  854    H    GLU 109           HN       GLU 109 180.588  12.492   3.281
  855    HA   GLU 109           HA       GLU 109 181.534  15.188   3.125
  856   1HB   GLU 109          HB2       GLU 109 179.433  13.650   1.606
  857   2HB   GLU 109          HB1       GLU 109 179.778  15.344   1.286
  858   1HG   GLU 109          HG2       GLU 109 182.049  13.435   1.286
  859   2HG   GLU 109          HG1       GLU 109 180.926  13.399  -0.073
  860    H    GLY 110           HN       GLY 110 178.825  13.624   4.603
  861   1HA   GLY 110          HA2       GLY 110 177.065  15.835   4.719
  862   2HA   GLY 110          HA1       GLY 110 177.011  14.428   5.764
  863    H    ARG 111           HN       ARG 111 179.391  14.575   7.055
  864    HA   ARG 111           HA       ARG 111 179.225  17.140   8.475
  865   1HB   ARG 111          HB2       ARG 111 180.316  15.451  10.325
  866   2HB   ARG 111          HB1       ARG 111 178.619  15.878  10.233
  867   1HG   ARG 111          HG2       ARG 111 178.375  13.643  10.308
  868   2HG   ARG 111          HG1       ARG 111 178.609  13.787   8.568
  869   1HD   ARG 111          HD2       ARG 111 180.719  13.131  10.620
  870   2HD   ARG 111          HD1       ARG 111 179.997  12.011   9.466
  871    HE   ARG 111           HE       ARG 111 181.033  13.905   7.863
  872   1HH1  ARG 111          HH11      ARG 111 182.386  12.082  10.514
  873   2HH1  ARG 111          HH12      ARG 111 183.996  12.116   9.878
  874   1HH2  ARG 111          HH21      ARG 111 183.149  13.950   7.026
  875   2HH2  ARG 111          HH22      ARG 111 184.430  13.175   7.898
  876    H    PHE 112           HN       PHE 112 180.846  16.910   6.310
  877    HA   PHE 112           HA       PHE 112 183.532  16.253   7.121
  878   1HB   PHE 112          HB2       PHE 112 184.017  16.342   4.908
  879   2HB   PHE 112          HB1       PHE 112 182.271  16.290   4.726
  880    HD1  PHE 112           HD1      PHE 112 181.093  18.063   3.759
  881    HD2  PHE 112           HD2      PHE 112 185.181  18.561   4.821
  882    HE1  PHE 112           HE1      PHE 112 181.144  20.200   2.537
  883    HE2  PHE 112           HE2      PHE 112 185.243  20.700   3.603
  884    HZ   PHE 112           HZ       PHE 112 183.222  21.522   2.459
  885    H    ASN 113           HN       ASN 113 181.548  19.098   6.719
  886    HA   ASN 113           HA       ASN 113 181.815  21.272   7.341
  887   1HB   ASN 113          HB2       ASN 113 182.595  19.940   9.474
  888   2HB   ASN 113          HB1       ASN 113 184.181  20.566   9.033
  889   1HD2  ASN 113          HD21      ASN 113 181.259  21.202  10.579
  890   2HD2  ASN 113          HD22      ASN 113 181.499  22.885  10.885
  Start of MODEL   16
    1   1H    GLY   1          HT1       GLY   1 164.390   0.943  11.989
    2   2H    GLY   1          HT2       GLY   1 165.081   2.471  11.771
    3   3H    GLY   1          HT3       GLY   1 163.427   2.330  12.091
    4   1HA   GLY   1          HA1       GLY   1 165.678   2.281  13.907
    5   2HA   GLY   1          HA2       GLY   1 164.021   2.793  14.190
    6    H    GLY   2           HN       GLY   2 164.160   1.673  16.226
    7   1HA   GLY   2          HA2       GLY   2 162.803  -0.428  16.791
    8   2HA   GLY   2          HA1       GLY   2 164.122  -1.264  15.985
    9    HA   PRO   3           HA       PRO   3 164.990  -1.387  20.560
   10   1HB   PRO   3          HB2       PRO   3 166.659  -3.598  19.454
   11   2HB   PRO   3          HB1       PRO   3 165.654  -3.565  20.908
   12   1HG   PRO   3          HG2       PRO   3 164.830  -4.839  18.723
   13   2HG   PRO   3          HG1       PRO   3 163.692  -3.916  19.721
   14   1HD   PRO   3          HD2       PRO   3 164.894  -3.222  17.081
   15   2HD   PRO   3          HD1       PRO   3 163.277  -2.860  17.717
   16    H    VAL   4           HN       VAL   4 166.980  -1.242  17.694
   17    HA   VAL   4           HA       VAL   4 169.038  -0.374  17.267
   18    HB   VAL   4           HB       VAL   4 168.401   1.245  19.733
   19   1HG1  VAL   4          1HG1      VAL   4 169.995   2.846  18.269
   20   2HG1  VAL   4          2HG1      VAL   4 170.692   1.275  17.873
   21   3HG1  VAL   4          3HG1      VAL   4 170.588   1.795  19.555
   22   1HG2  VAL   4          1HG2      VAL   4 167.514   1.358  16.948
   23   2HG2  VAL   4          2HG2      VAL   4 168.105   2.894  17.581
   24   3HG2  VAL   4          3HG2      VAL   4 166.791   2.050  18.399
   25    HA   PRO   5           HA       PRO   5 171.004  -3.301  20.314
   26   1HB   PRO   5          HB2       PRO   5 172.676  -4.345  18.381
   27   2HB   PRO   5          HB1       PRO   5 171.099  -5.012  18.812
   28   1HG   PRO   5          HG2       PRO   5 171.843  -3.220  16.539
   29   2HG   PRO   5          HG1       PRO   5 170.729  -4.600  16.563
   30   1HD   PRO   5          HD2       PRO   5 169.836  -2.070  16.605
   31   2HD   PRO   5          HD1       PRO   5 169.016  -3.359  17.510
   32    HA   PRO   6           HA       PRO   6 174.742  -1.067  21.005
   33   1HB   PRO   6          HB2       PRO   6 176.603  -2.976  21.514
   34   2HB   PRO   6          HB1       PRO   6 175.301  -2.580  22.642
   35   1HG   PRO   6          HG2       PRO   6 175.485  -4.831  20.676
   36   2HG   PRO   6          HG1       PRO   6 174.917  -4.856  22.356
   37   1HD   PRO   6          HD2       PRO   6 173.220  -4.798  20.248
   38   2HD   PRO   6          HD1       PRO   6 172.841  -4.022  21.799
   39    H    SER   7           HN       SER   7 177.343  -1.444  20.495
   40    HA   SER   7           HA       SER   7 177.661  -0.710  17.832
   41   1HB   SER   7          HB2       SER   7 179.303  -0.213  19.613
   42   2HB   SER   7          HB1       SER   7 179.751  -1.918  19.659
   43    HG   SER   7           HG       SER   7 180.748  -1.730  17.764
   44    H    THR   8           HN       THR   8 177.416  -3.851  19.238
   45    HA   THR   8           HA       THR   8 178.811  -5.450  17.469
   46    HB   THR   8           HB       THR   8 176.135  -6.030  18.754
   47    HG1  THR   8           1HG      THR   8 178.775  -6.562  19.641
   48   1HG2  THR   8          1HG2      THR   8 176.467  -8.292  18.438
   49   2HG2  THR   8          2HG2      THR   8 178.182  -8.095  18.078
   50   3HG2  THR   8          3HG2      THR   8 176.970  -7.602  16.895
   51    H    ALA   9           HN       ALA   9 175.802  -3.757  17.006
   52    HA   ALA   9           HA       ALA   9 174.913  -5.171  14.716
   53   1HB   ALA   9          HB1       ALA   9 173.790  -3.332  16.337
   54   2HB   ALA   9          HB2       ALA   9 173.157  -3.760  14.747
   55   3HB   ALA   9          HB3       ALA   9 174.172  -2.330  14.937
   56    H    LEU  10           HN       LEU  10 177.240  -2.641  15.206
   57    HA   LEU  10           HA       LEU  10 177.302  -1.635  12.559
   58   1HB   LEU  10          HB2       LEU  10 178.214  -0.350  14.390
   59   2HB   LEU  10          HB1       LEU  10 179.376  -1.613  14.750
   60    HG   LEU  10           HG       LEU  10 180.066  -1.078  12.196
   61   1HD1  LEU  10          HD11      LEU  10 178.678   1.331  13.256
   62   2HD1  LEU  10          HD12      LEU  10 178.743   0.694  11.612
   63   3HD1  LEU  10          HD13      LEU  10 180.134   1.546  12.284
   64   1HD2  LEU  10          HD21      LEU  10 181.042   0.584  14.506
   65   2HD2  LEU  10          HD22      LEU  10 181.942   0.071  13.079
   66   3HD2  LEU  10          HD23      LEU  10 181.461  -1.115  14.292
   67    H    ARG  11           HN       ARG  11 179.243  -4.105  14.224
   68    HA   ARG  11           HA       ARG  11 181.053  -4.645  12.194
   69   1HB   ARG  11          HB2       ARG  11 181.668  -6.490  13.410
   70   2HB   ARG  11          HB1       ARG  11 180.784  -5.605  14.643
   71   1HG   ARG  11          HG2       ARG  11 178.785  -6.981  14.122
   72   2HG   ARG  11          HG1       ARG  11 179.775  -7.921  13.007
   73   1HD   ARG  11          HD2       ARG  11 179.456  -8.867  15.346
   74   2HD   ARG  11          HD1       ARG  11 181.107  -8.779  14.738
   75    HE   ARG  11           HE       ARG  11 179.951  -7.234  16.907
   76   1HH1  ARG  11          HH11      ARG  11 182.637  -7.647  14.710
   77   2HH1  ARG  11          HH12      ARG  11 183.741  -6.754  15.700
   78   1HH2  ARG  11          HH21      ARG  11 181.404  -6.058  18.203
   79   2HH2  ARG  11          HH22      ARG  11 183.043  -5.852  17.680
   80    H    GLU  12           HN       GLU  12 177.688  -5.393  12.395
   81    HA   GLU  12           HA       GLU  12 177.618  -7.523  10.532
   82   1HB   GLU  12          HB2       GLU  12 175.718  -5.928  12.023
   83   2HB   GLU  12          HB1       GLU  12 175.153  -6.206  10.381
   84   1HG   GLU  12          HG2       GLU  12 175.033  -8.489  10.664
   85   2HG   GLU  12          HG1       GLU  12 176.190  -8.489  11.995
   86    H    LEU  13           HN       LEU  13 176.674  -4.083  10.118
   87    HA   LEU  13           HA       LEU  13 176.414  -4.307   7.307
   88   1HB   LEU  13          HB2       LEU  13 176.310  -2.177   9.324
   89   2HB   LEU  13          HB1       LEU  13 176.864  -1.643   7.748
   90    HG   LEU  13           HG       LEU  13 174.534  -3.301   7.446
   91   1HD1  LEU  13          HD11      LEU  13 173.063  -2.565   8.941
   92   2HD1  LEU  13          HD12      LEU  13 173.567  -0.889   8.731
   93   3HD1  LEU  13          HD13      LEU  13 174.440  -1.939   9.846
   94   1HD2  LEU  13          HD21      LEU  13 174.788  -1.921   5.675
   95   2HD2  LEU  13          HD22      LEU  13 175.520  -0.639   6.640
   96   3HD2  LEU  13          HD23      LEU  13 173.770  -0.854   6.643
   97    H    ILE  14           HN       ILE  14 179.099  -3.645   9.414
   98    HA   ILE  14           HA       ILE  14 180.816  -2.463   7.509
   99    HB   ILE  14           HB       ILE  14 181.065  -3.512  10.246
  100   1HG1  ILE  14          2HG1      ILE  14 182.349  -1.451  10.543
  101   2HG1  ILE  14          1HG1      ILE  14 182.364  -1.193   8.801
  102   1HG2  ILE  14          1HG2      ILE  14 183.605  -3.429  10.077
  103   2HG2  ILE  14          2HG2      ILE  14 183.383  -3.631   8.338
  104   3HG2  ILE  14          3HG2      ILE  14 182.804  -4.870   9.452
  105   1HD1  ILE  14          HD11      ILE  14 180.312  -0.316   8.800
  106   2HD1  ILE  14          HD12      ILE  14 180.579  -0.104  10.530
  107   3HD1  ILE  14          HD13      ILE  14 179.692  -1.509   9.940
  108    H    GLU  15           HN       GLU  15 180.829  -5.785   8.841
  109    HA   GLU  15           HA       GLU  15 182.765  -6.731   7.014
  110   1HB   GLU  15          HB2       GLU  15 180.725  -8.373   8.514
  111   2HB   GLU  15          HB1       GLU  15 182.259  -8.933   7.862
  112   1HG   GLU  15          HG2       GLU  15 182.130  -6.772   9.931
  113   2HG   GLU  15          HG1       GLU  15 182.109  -8.480  10.368
  114    H    GLU  16           HN       GLU  16 179.242  -6.723   6.928
  115    HA   GLU  16           HA       GLU  16 178.938  -8.482   4.745
  116   1HB   GLU  16          HB2       GLU  16 177.224  -7.595   6.462
  117   2HB   GLU  16          HB1       GLU  16 177.059  -6.235   5.372
  118   1HG   GLU  16          HG2       GLU  16 176.874  -8.805   4.023
  119   2HG   GLU  16          HG1       GLU  16 175.639  -8.575   5.259
  120    H    LEU  17           HN       LEU  17 178.974  -4.945   4.932
  121    HA   LEU  17           HA       LEU  17 178.697  -4.576   2.127
  122   1HB   LEU  17          HB2       LEU  17 179.570  -2.691   4.312
  123   2HB   LEU  17          HB1       LEU  17 179.255  -2.212   2.657
  124    HG   LEU  17           HG       LEU  17 177.251  -3.300   4.627
  125   1HD1  LEU  17          HD11      LEU  17 176.855  -0.733   3.250
  126   2HD1  LEU  17          HD12      LEU  17 178.163  -0.774   4.431
  127   3HD1  LEU  17          HD13      LEU  17 176.522  -1.192   4.918
  128   1HD2  LEU  17          HD21      LEU  17 175.600  -2.880   2.817
  129   2HD2  LEU  17          HD22      LEU  17 176.715  -4.203   2.471
  130   3HD2  LEU  17          HD23      LEU  17 176.946  -2.631   1.705
  131    H    VAL  18           HN       VAL  18 181.357  -5.009   4.307
  132    HA   VAL  18           HA       VAL  18 183.334  -4.007   2.540
  133    HB   VAL  18           HB       VAL  18 183.371  -4.627   5.175
  134   1HG1  VAL  18          1HG1      VAL  18 183.521  -7.081   4.500
  135   2HG1  VAL  18          2HG1      VAL  18 184.676  -6.485   5.692
  136   3HG1  VAL  18          3HG1      VAL  18 185.176  -6.712   4.015
  137   1HG2  VAL  18          1HG2      VAL  18 185.462  -4.047   3.165
  138   2HG2  VAL  18          2HG2      VAL  18 185.987  -4.511   4.783
  139   3HG2  VAL  18          3HG2      VAL  18 184.942  -3.107   4.563
  140    H    ASN  19           HN       ASN  19 181.862  -7.094   3.164
  141    HA   ASN  19           HA       ASN  19 183.638  -8.657   1.595
  142   1HB   ASN  19          HB2       ASN  19 182.463 -10.361   2.458
  143   2HB   ASN  19          HB1       ASN  19 181.504  -9.167   3.321
  144   1HD2  ASN  19          HD21      ASN  19 179.402  -9.049   2.903
  145   2HD2  ASN  19          HD22      ASN  19 178.593  -9.854   1.606
  146    H    ILE  20           HN       ILE  20 180.394  -7.292   0.923
  147    HA   ILE  20           HA       ILE  20 180.207  -8.207  -1.707
  148    HB   ILE  20           HB       ILE  20 178.463  -6.600  -1.988
  149   1HG1  ILE  20          2HG1      ILE  20 179.555  -5.289   0.495
  150   2HG1  ILE  20          1HG1      ILE  20 179.499  -4.596  -1.126
  151   1HG2  ILE  20          1HG2      ILE  20 177.057  -7.666  -0.622
  152   2HG2  ILE  20          2HG2      ILE  20 177.907  -7.112   0.821
  153   3HG2  ILE  20          3HG2      ILE  20 178.490  -8.526  -0.058
  154   1HD1  ILE  20          HD11      ILE  20 176.988  -4.752  -0.961
  155   2HD1  ILE  20          HD12      ILE  20 177.767  -3.584   0.106
  156   3HD1  ILE  20          HD13      ILE  20 177.212  -5.131   0.746
  157    H    THR  21           HN       THR  21 181.580  -5.234  -0.366
  158    HA   THR  21           HA       THR  21 182.173  -4.125  -2.952
  159    HB   THR  21           HB       THR  21 181.706  -2.742  -0.921
  160    HG1  THR  21           1HG      THR  21 183.335  -1.231  -1.398
  161   1HG2  THR  21          1HG2      THR  21 183.194  -4.179   0.586
  162   2HG2  THR  21          2HG2      THR  21 183.232  -2.429   0.796
  163   3HG2  THR  21          3HG2      THR  21 184.531  -3.240  -0.077
  164    H    GLN  22           HN       GLN  22 183.674  -6.408  -0.920
  165    HA   GLN  22           HA       GLN  22 186.361  -5.886  -1.888
  166   1HB   GLN  22          HB2       GLN  22 185.132  -7.709   0.122
  167   2HB   GLN  22          HB1       GLN  22 186.671  -8.182  -0.582
  168   1HG   GLN  22          HG2       GLN  22 186.432  -5.415   0.445
  169   2HG   GLN  22          HG1       GLN  22 186.500  -6.725   1.623
  170   1HE2  GLN  22          1HE2      GLN  22 188.501  -6.245   2.416
  171   2HE2  GLN  22          2HE2      GLN  22 189.954  -6.404   1.496
  172    H    ASN  23           HN       ASN  23 184.791  -6.349  -4.041
  173    HA   ASN  23           HA       ASN  23 185.268  -9.144  -4.792
  174   1HB   ASN  23          HB2       ASN  23 183.272  -7.092  -5.592
  175   2HB   ASN  23          HB1       ASN  23 183.776  -8.248  -6.818
  176   1HD2  ASN  23          HD21      ASN  23 182.524  -7.971  -3.553
  177   2HD2  ASN  23          HD22      ASN  23 181.640  -9.452  -3.564
  178    H    GLN  24           HN       GLN  24 186.598  -9.676  -6.451
  179    HA   GLN  24           HA       GLN  24 188.662  -8.008  -7.219
  180   1HB   GLN  24          HB2       GLN  24 187.521 -10.531  -8.384
  181   2HB   GLN  24          HB1       GLN  24 188.891  -9.729  -9.128
  182   1HG   GLN  24          HG2       GLN  24 189.323 -11.639  -7.477
  183   2HG   GLN  24          HG1       GLN  24 190.297 -10.177  -7.349
  184   1HE2  GLN  24          1HE2      GLN  24 190.649  -9.650  -5.324
  185   2HE2  GLN  24          2HE2      GLN  24 189.533  -9.807  -4.014
  186    H    LYS  25           HN       LYS  25 189.094  -7.884  -9.810
  187    HA   LYS  25           HA       LYS  25 187.663  -5.697 -10.725
  188   1HB   LYS  25          HB2       LYS  25 189.836  -7.197 -11.612
  189   2HB   LYS  25          HB1       LYS  25 188.667  -7.318 -12.920
  190   1HG   LYS  25          HG2       LYS  25 188.677  -5.030 -13.310
  191   2HG   LYS  25          HG1       LYS  25 189.344  -4.664 -11.718
  192   1HD   LYS  25          HD2       LYS  25 190.911  -6.255 -13.719
  193   2HD   LYS  25          HD1       LYS  25 190.889  -4.491 -13.779
  194   1HE   LYS  25          HE2       LYS  25 192.685  -4.748 -12.419
  195   2HE   LYS  25          HE1       LYS  25 191.425  -4.805 -11.188
  196   1HZ   LYS  25          HZ1       LYS  25 193.281  -6.640 -11.348
  197   2HZ   LYS  25          HZ2       LYS  25 192.204  -7.321 -12.459
  198   3HZ   LYS  25          HZ3       LYS  25 191.704  -7.023 -10.871
  199    H    ALA  26           HN       ALA  26 186.951  -9.092 -11.024
  200    HA   ALA  26           HA       ALA  26 185.212  -9.161 -13.162
  201   1HB   ALA  26          HB1       ALA  26 184.011 -10.926 -11.546
  202   2HB   ALA  26          HB2       ALA  26 185.543 -10.748 -10.691
  203   3HB   ALA  26          HB3       ALA  26 185.530 -11.260 -12.378
  204    HA   PRO  27           HA       PRO  27 181.680  -6.813 -11.936
  205   1HB   PRO  27          HB2       PRO  27 179.828  -7.725 -13.561
  206   2HB   PRO  27          HB1       PRO  27 181.284  -6.958 -14.226
  207   1HG   PRO  27          HG2       PRO  27 180.784  -9.848 -13.708
  208   2HG   PRO  27          HG1       PRO  27 181.213  -9.110 -15.266
  209   1HD   PRO  27          HD2       PRO  27 183.084 -10.218 -13.708
  210   2HD   PRO  27          HD1       PRO  27 183.416  -8.685 -14.548
  211    H    LEU  28           HN       LEU  28 179.288  -7.116 -11.353
  212    HA   LEU  28           HA       LEU  28 179.164  -9.141  -9.289
  213   1HB   LEU  28          HB2       LEU  28 178.427  -6.976  -8.642
  214   2HB   LEU  28          HB1       LEU  28 177.379  -6.840 -10.040
  215    HG   LEU  28           HG       LEU  28 175.824  -8.416  -9.133
  216   1HD1  LEU  28          HD11      LEU  28 177.776  -8.829  -6.874
  217   2HD1  LEU  28          HD12      LEU  28 177.443  -9.977  -8.170
  218   3HD1  LEU  28          HD13      LEU  28 176.177  -9.558  -7.017
  219   1HD2  LEU  28          HD21      LEU  28 176.619  -6.705  -6.796
  220   2HD2  LEU  28          HD22      LEU  28 175.004  -7.209  -7.294
  221   3HD2  LEU  28          HD23      LEU  28 175.894  -6.028  -8.255
  222    H    CYS  29           HN       CYS  29 176.488  -8.086 -11.319
  223    HA   CYS  29           HA       CYS  29 175.616 -10.842 -11.583
  224   1HB   CYS  29          HB2       CYS  29 174.353  -8.243 -11.610
  225   2HB   CYS  29          HB1       CYS  29 173.864  -9.176 -13.019
  226    H    ASN  30           HN       ASN  30 177.869 -10.775 -12.917
  227    HA   ASN  30           HA       ASN  30 178.920 -11.006 -14.927
  228   1HB   ASN  30          HB2       ASN  30 177.326 -12.896 -14.961
  229   2HB   ASN  30          HB1       ASN  30 176.150 -11.870 -15.776
  230   1HD2  ASN  30          HD21      ASN  30 179.630 -12.420 -16.194
  231   2HD2  ASN  30          HD22      ASN  30 179.539 -12.821 -17.872
  232    H    GLY  31           HN       GLY  31 177.702  -8.374 -14.379
  233   1HA   GLY  31          HA2       GLY  31 178.020  -6.431 -15.700
  234   2HA   GLY  31          HA1       GLY  31 177.758  -7.400 -17.142
  235    H    SER  32           HN       SER  32 176.364  -5.293 -14.880
  236    HA   SER  32           HA       SER  32 173.937  -5.125 -16.378
  237   1HB   SER  32          HB2       SER  32 173.677  -6.072 -13.517
  238   2HB   SER  32          HB1       SER  32 172.373  -5.798 -14.673
  239    HG   SER  32           HG       SER  32 172.916  -8.014 -14.500
  240    H    MET  33           HN       MET  33 173.890  -2.969 -16.524
  241    HA   MET  33           HA       MET  33 175.003  -1.151 -14.770
  242   1HB   MET  33          HB2       MET  33 172.618  -0.677 -16.556
  243   2HB   MET  33          HB1       MET  33 173.740   0.525 -15.953
  244   1HG   MET  33          HG2       MET  33 175.509  -0.961 -17.187
  245   2HG   MET  33          HG1       MET  33 174.096  -1.477 -18.104
  246   1HE   MET  33          HE1       MET  33 175.467   1.468 -16.389
  247   2HE   MET  33          HE2       MET  33 174.722   2.817 -17.247
  248   3HE   MET  33          HE3       MET  33 176.331   2.260 -17.707
  249    H    VAL  34           HN       VAL  34 173.867   0.514 -13.510
  250    HA   VAL  34           HA       VAL  34 171.412  -0.449 -12.218
  251    HB   VAL  34           HB       VAL  34 172.531   0.535 -10.039
  252   1HG1  VAL  34          1HG1      VAL  34 172.996  -2.211 -11.182
  253   2HG1  VAL  34          2HG1      VAL  34 171.683  -1.687 -10.127
  254   3HG1  VAL  34          3HG1      VAL  34 173.331  -1.782  -9.505
  255   1HG2  VAL  34          1HG2      VAL  34 174.751   0.786 -10.006
  256   2HG2  VAL  34          2HG2      VAL  34 174.677   0.744 -11.763
  257   3HG2  VAL  34          3HG2      VAL  34 175.018  -0.732 -10.861
  258    H    TRP  35           HN       TRP  35 170.433   1.243 -10.787
  259    HA   TRP  35           HA       TRP  35 170.157   3.676 -12.259
  260   1HB   TRP  35          HB2       TRP  35 168.737   2.268 -10.190
  261   2HB   TRP  35          HB1       TRP  35 168.899   3.963  -9.758
  262    HD1  TRP  35           HD1      TRP  35 166.230   2.242 -10.810
  263    HE1  TRP  35           HE1      TRP  35 164.829   3.356 -12.647
  264    HE3  TRP  35           HE3      TRP  35 169.695   5.555 -12.594
  265    HZ2  TRP  35           HZ2      TRP  35 165.136   5.365 -14.604
  266    HZ3  TRP  35           HZ3      TRP  35 169.059   7.036 -14.452
  267    HH2  TRP  35           HH2      TRP  35 166.826   6.942 -15.435
  268    H    SER  36           HN       SER  36 172.183   2.691  -9.724
  269    HA   SER  36           HA       SER  36 173.881   3.725  -8.640
  270   1HB   SER  36          HB2       SER  36 174.222   5.103 -10.614
  271   2HB   SER  36          HB1       SER  36 172.923   6.163 -10.100
  272    HG   SER  36           HG       SER  36 174.308   7.186  -8.916
  273    H    ILE  37           HN       ILE  37 174.238   5.390  -6.921
  274    HA   ILE  37           HA       ILE  37 171.722   6.012  -5.544
  275    HB   ILE  37           HB       ILE  37 173.590   5.790  -3.510
  276   1HG1  ILE  37          2HG1      ILE  37 174.032   3.590  -5.547
  277   2HG1  ILE  37          1HG1      ILE  37 175.238   4.698  -4.896
  278   1HG2  ILE  37          1HG2      ILE  37 171.568   3.838  -4.583
  279   2HG2  ILE  37          2HG2      ILE  37 171.312   5.095  -3.375
  280   3HG2  ILE  37          3HG2      ILE  37 172.325   3.705  -2.996
  281   1HD1  ILE  37          HD11      ILE  37 173.846   3.159  -2.848
  282   2HD1  ILE  37          HD12      ILE  37 175.573   3.437  -3.090
  283   3HD1  ILE  37          HD13      ILE  37 174.748   2.169  -3.997
  284    H    ASN  38           HN       ASN  38 171.518   7.922  -4.512
  285    HA   ASN  38           HA       ASN  38 173.463   9.966  -5.142
  286   1HB   ASN  38          HB2       ASN  38 171.720  11.444  -4.054
  287   2HB   ASN  38          HB1       ASN  38 171.197  10.615  -5.508
  288   1HD2  ASN  38          HD21      ASN  38 169.239   9.826  -5.373
  289   2HD2  ASN  38          HD22      ASN  38 168.463   9.251  -3.941
  290    H    LEU  39           HN       LEU  39 174.928   8.629  -3.695
  291    HA   LEU  39           HA       LEU  39 174.784   8.253  -1.028
  292   1HB   LEU  39          HB2       LEU  39 177.225   9.351  -2.410
  293   2HB   LEU  39          HB1       LEU  39 177.188   8.390  -0.943
  294    HG   LEU  39           HG       LEU  39 176.341   7.412  -3.672
  295   1HD1  LEU  39          HD11      LEU  39 178.586   6.043  -2.536
  296   2HD1  LEU  39          HD12      LEU  39 178.924   7.771  -2.658
  297   3HD1  LEU  39          HD13      LEU  39 178.440   6.863  -4.090
  298   1HD2  LEU  39          HD21      LEU  39 175.741   6.443  -1.087
  299   2HD2  LEU  39          HD22      LEU  39 176.916   5.340  -1.802
  300   3HD2  LEU  39          HD23      LEU  39 175.407   5.686  -2.644
  301    H    THR  40           HN       THR  40 174.868  11.323  -2.579
  302    HA   THR  40           HA       THR  40 175.945  13.025  -0.721
  303    HB   THR  40           HB       THR  40 175.153  13.875  -2.818
  304    HG1  THR  40           1HG      THR  40 174.147  15.696  -2.101
  305   1HG2  THR  40          1HG2      THR  40 172.299  13.532  -1.991
  306   2HG2  THR  40          2HG2      THR  40 173.147  12.285  -2.904
  307   3HG2  THR  40          3HG2      THR  40 172.962  13.902  -3.582
  308    H    ALA  41           HN       ALA  41 172.690  11.621  -0.726
  309    HA   ALA  41           HA       ALA  41 172.459  11.524   2.061
  310   1HB   ALA  41          HB1       ALA  41 172.338  13.881   2.150
  311   2HB   ALA  41          HB2       ALA  41 170.680  13.307   2.330
  312   3HB   ALA  41          HB3       ALA  41 171.227  13.952   0.782
  313    H    GLY  42           HN       GLY  42 170.681  10.344   2.682
  314   1HA   GLY  42          HA2       GLY  42 168.907   8.906   2.421
  315   2HA   GLY  42          HA1       GLY  42 168.242  10.137   1.361
  316    H    MET  43           HN       MET  43 171.215   8.343   0.853
  317    HA   MET  43           HA       MET  43 170.374   7.592  -1.787
  318   1HB   MET  43          HB2       MET  43 172.588   6.881  -2.133
  319   2HB   MET  43          HB1       MET  43 172.729   8.252  -1.046
  320   1HG   MET  43          HG2       MET  43 174.145   6.810  -0.023
  321   2HG   MET  43          HG1       MET  43 172.648   6.380   0.798
  322   1HE   MET  43          HE1       MET  43 172.631   4.419   1.548
  323   2HE   MET  43          HE2       MET  43 174.122   3.530   1.235
  324   3HE   MET  43          HE3       MET  43 172.579   2.891   0.668
  325    H    TYR  44           HN       TYR  44 170.269   6.114   1.319
  326    HA   TYR  44           HA       TYR  44 170.495   3.426   0.833
  327   1HB   TYR  44          HB2       TYR  44 168.232   4.464   2.521
  328   2HB   TYR  44          HB1       TYR  44 169.227   3.034   2.774
  329    HD1  TYR  44           HD1      TYR  44 168.874   6.580   3.377
  330    HD2  TYR  44           HD2      TYR  44 171.578   3.301   3.575
  331    HE1  TYR  44           HE1      TYR  44 170.322   7.874   4.882
  332    HE2  TYR  44           HE2      TYR  44 173.035   4.586   5.083
  333    HH   TYR  44           HH       TYR  44 172.067   7.714   6.354
  334    H    CYS  45           HN       CYS  45 167.465   5.289   0.585
  335    HA   CYS  45           HA       CYS  45 165.888   3.223  -0.427
  336   1HB   CYS  45          HB2       CYS  45 165.706   6.207  -0.496
  337   2HB   CYS  45          HB1       CYS  45 164.592   5.264  -1.477
  338    H    ALA  46           HN       ALA  46 168.374   5.021  -1.971
  339    HA   ALA  46           HA       ALA  46 167.343   4.638  -4.639
  340   1HB   ALA  46          HB1       ALA  46 168.678   6.407  -4.894
  341   2HB   ALA  46          HB2       ALA  46 170.007   5.249  -4.936
  342   3HB   ALA  46          HB3       ALA  46 169.580   6.048  -3.423
  343    H    ALA  47           HN       ALA  47 170.025   3.311  -2.721
  344    HA   ALA  47           HA       ALA  47 170.839   1.419  -4.645
  345   1HB   ALA  47          HB1       ALA  47 171.319   1.811  -1.736
  346   2HB   ALA  47          HB2       ALA  47 172.468   1.732  -3.071
  347   3HB   ALA  47          HB3       ALA  47 171.732   0.254  -2.453
  348    H    LEU  48           HN       LEU  48 168.271   1.472  -2.312
  349    HA   LEU  48           HA       LEU  48 167.786  -1.357  -2.362
  350   1HB   LEU  48          HB2       LEU  48 167.221  -0.124  -0.381
  351   2HB   LEU  48          HB1       LEU  48 166.231   0.995  -1.295
  352    HG   LEU  48           HG       LEU  48 164.684  -0.891  -1.826
  353   1HD1  LEU  48          HD11      LEU  48 166.659  -2.344  -0.136
  354   2HD1  LEU  48          HD12      LEU  48 165.810  -2.872  -1.589
  355   3HD1  LEU  48          HD13      LEU  48 164.958  -2.801  -0.047
  356   1HD2  LEU  48          HD21      LEU  48 163.870   0.472  -0.154
  357   2HD2  LEU  48          HD22      LEU  48 165.183   0.077   0.955
  358   3HD2  LEU  48          HD23      LEU  48 163.904  -1.098   0.649
  359    H    GLU  49           HN       GLU  49 166.311   1.548  -3.756
  360    HA   GLU  49           HA       GLU  49 164.178   0.271  -5.003
  361   1HB   GLU  49          HB2       GLU  49 163.796   2.262  -6.195
  362   2HB   GLU  49          HB1       GLU  49 164.517   2.772  -4.677
  363   1HG   GLU  49          HG2       GLU  49 166.556   3.293  -5.693
  364   2HG   GLU  49          HG1       GLU  49 166.167   2.387  -7.151
  365    H    SER  50           HN       SER  50 167.498   0.764  -6.053
  366    HA   SER  50           HA       SER  50 166.982  -0.346  -8.673
  367   1HB   SER  50          HB2       SER  50 169.787  -0.188  -7.859
  368   2HB   SER  50          HB1       SER  50 168.970   0.546  -9.236
  369    HG   SER  50           HG       SER  50 169.760   2.116  -7.777
  370    H    LEU  51           HN       LEU  51 168.311  -1.388  -5.598
  371    HA   LEU  51           HA       LEU  51 169.496  -3.791  -6.396
  372   1HB   LEU  51          HB2       LEU  51 168.454  -2.674  -3.858
  373   2HB   LEU  51          HB1       LEU  51 168.648  -4.415  -3.919
  374    HG   LEU  51           HG       LEU  51 170.917  -2.635  -4.721
  375   1HD1  LEU  51          HD11      LEU  51 169.730  -2.785  -2.089
  376   2HD1  LEU  51          HD12      LEU  51 171.028  -1.750  -2.684
  377   3HD1  LEU  51          HD13      LEU  51 171.394  -3.368  -2.087
  378   1HD2  LEU  51          HD21      LEU  51 172.244  -4.534  -3.977
  379   2HD2  LEU  51          HD22      LEU  51 171.050  -5.038  -5.173
  380   3HD2  LEU  51          HD23      LEU  51 170.780  -5.372  -3.463
  381    H    ILE  52           HN       ILE  52 166.166  -3.063  -5.452
  382    HA   ILE  52           HA       ILE  52 165.164  -5.672  -5.420
  383    HB   ILE  52           HB       ILE  52 163.893  -3.784  -4.544
  384   1HG1  ILE  52          2HG1      ILE  52 162.475  -5.175  -6.830
  385   2HG1  ILE  52          1HG1      ILE  52 162.662  -5.804  -5.197
  386   1HG2  ILE  52          1HG2      ILE  52 162.620  -2.545  -6.584
  387   2HG2  ILE  52          2HG2      ILE  52 164.215  -2.801  -7.291
  388   3HG2  ILE  52          3HG2      ILE  52 164.054  -1.915  -5.775
  389   1HD1  ILE  52          HD11      ILE  52 161.058  -4.451  -4.343
  390   2HD1  ILE  52          HD12      ILE  52 160.460  -4.595  -5.996
  391   3HD1  ILE  52          HD13      ILE  52 161.365  -3.162  -5.507
  392    H    ASN  53           HN       ASN  53 166.083  -3.651  -8.063
  393    HA   ASN  53           HA       ASN  53 164.532  -5.072 -10.036
  394   1HB   ASN  53          HB2       ASN  53 166.394  -2.767 -10.021
  395   2HB   ASN  53          HB1       ASN  53 166.328  -3.700 -11.514
  396   1HD2  ASN  53          HD21      ASN  53 163.732  -3.087  -9.210
  397   2HD2  ASN  53          HD22      ASN  53 162.723  -2.213 -10.306
  398    H    VAL  54           HN       VAL  54 167.762  -5.204  -8.711
  399    HA   VAL  54           HA       VAL  54 169.066  -6.664 -10.696
  400    HB   VAL  54           HB       VAL  54 169.482  -6.939  -7.716
  401   1HG1  VAL  54          1HG1      VAL  54 171.255  -7.535 -10.079
  402   2HG1  VAL  54          2HG1      VAL  54 170.628  -8.680  -8.892
  403   3HG1  VAL  54          3HG1      VAL  54 171.821  -7.473  -8.410
  404   1HG2  VAL  54          1HG2      VAL  54 169.628  -4.625  -8.209
  405   2HG2  VAL  54          2HG2      VAL  54 170.540  -4.927  -9.689
  406   3HG2  VAL  54          3HG2      VAL  54 171.286  -5.222  -8.118
  407    H    SER  55           HN       SER  55 168.399  -8.502 -11.584
  408    HA   SER  55           HA       SER  55 167.308 -10.595  -9.819
  409   1HB   SER  55          HB2       SER  55 166.602 -10.673 -12.697
  410   2HB   SER  55          HB1       SER  55 165.624 -11.066 -11.284
  411    HG   SER  55           HG       SER  55 166.162  -8.541 -12.420
  412    H    GLY  56           HN       GLY  56 168.533 -12.350  -9.690
  413   1HA   GLY  56          HA2       GLY  56 169.581 -14.220 -10.817
  414   2HA   GLY  56          HA1       GLY  56 170.173 -13.092 -12.027
  415    H    CYS  57           HN       CYS  57 170.297 -12.305  -8.634
  416    HA   CYS  57           HA       CYS  57 173.162 -12.924  -8.563
  417   1HB   CYS  57          HB2       CYS  57 171.819 -10.307  -8.326
  418   2HB   CYS  57          HB1       CYS  57 173.007 -10.647  -7.082
  419    H    SER  58           HN       SER  58 170.825 -11.348  -6.412
  420    HA   SER  58           HA       SER  58 170.068 -11.838  -4.335
  421   1HB   SER  58          HB2       SER  58 169.947 -14.201  -5.687
  422   2HB   SER  58          HB1       SER  58 170.955 -14.646  -4.306
  423    HG   SER  58           HG       SER  58 169.331 -14.011  -2.930
  424    H    ALA  59           HN       ALA  59 173.139 -11.538  -5.060
  425    HA   ALA  59           HA       ALA  59 174.313 -12.583  -2.615
  426   1HB   ALA  59          HB1       ALA  59 175.416 -12.494  -4.968
  427   2HB   ALA  59          HB2       ALA  59 176.386 -12.137  -3.539
  428   3HB   ALA  59          HB3       ALA  59 175.773 -10.821  -4.539
  429    H    ILE  60           HN       ILE  60 172.504  -9.966  -3.377
  430    HA   ILE  60           HA       ILE  60 173.873  -8.189  -1.488
  431    HB   ILE  60           HB       ILE  60 172.151  -6.525  -2.606
  432   1HG1  ILE  60          2HG1      ILE  60 172.164  -7.052  -5.123
  433   2HG1  ILE  60          1HG1      ILE  60 172.499  -8.709  -4.645
  434   1HG2  ILE  60          1HG2      ILE  60 174.777  -7.375  -3.799
  435   2HG2  ILE  60          2HG2      ILE  60 174.512  -6.141  -2.566
  436   3HG2  ILE  60          3HG2      ILE  60 173.934  -5.882  -4.212
  437   1HD1  ILE  60          HD11      ILE  60 170.045  -7.075  -4.184
  438   2HD1  ILE  60          HD12      ILE  60 170.405  -8.473  -3.171
  439   3HD1  ILE  60          HD13      ILE  60 170.205  -8.672  -4.912
  440    H    GLU  61           HN       GLU  61 171.320 -10.302  -1.744
  441    HA   GLU  61           HA       GLU  61 169.047  -9.280  -0.785
  442   1HB   GLU  61          HB2       GLU  61 170.433 -11.821  -0.420
  443   2HB   GLU  61          HB1       GLU  61 169.305 -11.459   0.879
  444   1HG   GLU  61          HG2       GLU  61 167.880 -10.849  -1.401
  445   2HG   GLU  61          HG1       GLU  61 168.800 -12.283  -1.854
  446    H    LYS  62           HN       LYS  62 171.761 -10.113   1.322
  447    HA   LYS  62           HA       LYS  62 170.645  -9.246   3.731
  448   1HB   LYS  62          HB2       LYS  62 173.399  -9.746   2.736
  449   2HB   LYS  62          HB1       LYS  62 173.250  -8.773   4.193
  450   1HG   LYS  62          HG2       LYS  62 171.632 -10.769   4.881
  451   2HG   LYS  62          HG1       LYS  62 172.675 -11.641   3.755
  452   1HD   LYS  62          HD2       LYS  62 173.950 -11.923   5.602
  453   2HD   LYS  62          HD1       LYS  62 174.535 -10.315   5.173
  454   1HE   LYS  62          HE2       LYS  62 172.112 -10.520   6.883
  455   2HE   LYS  62          HE1       LYS  62 173.675 -10.887   7.611
  456   1HZ   LYS  62          HZ1       LYS  62 173.130  -8.568   7.901
  457   2HZ   LYS  62          HZ2       LYS  62 172.941  -8.360   6.233
  458   3HZ   LYS  62          HZ3       LYS  62 174.467  -8.711   6.874
  459    H    THR  63           HN       THR  63 172.613  -7.510   1.357
  460    HA   THR  63           HA       THR  63 172.656  -5.050   2.775
  461    HB   THR  63           HB       THR  63 173.953  -6.078   0.575
  462    HG1  THR  63           1HG      THR  63 175.197  -4.496   1.105
  463   1HG2  THR  63          1HG2      THR  63 173.571  -4.828  -1.338
  464   2HG2  THR  63          2HG2      THR  63 172.559  -3.658  -0.490
  465   3HG2  THR  63          3HG2      THR  63 171.951  -5.283  -0.809
  466    H    GLN  64           HN       GLN  64 170.470  -6.506   0.465
  467    HA   GLN  64           HA       GLN  64 169.002  -4.242  -0.284
  468   1HB   GLN  64          HB2       GLN  64 168.121  -7.119   0.016
  469   2HB   GLN  64          HB1       GLN  64 167.147  -5.866  -0.738
  470   1HG   GLN  64          HG2       GLN  64 169.078  -5.519  -2.335
  471   2HG   GLN  64          HG1       GLN  64 169.750  -7.014  -1.688
  472   1HE2  GLN  64          1HE2      GLN  64 167.136  -5.596  -3.509
  473   2HE2  GLN  64          2HE2      GLN  64 166.572  -7.064  -4.222
  474    H    ARG  65           HN       ARG  65 168.047  -6.694   2.132
  475    HA   ARG  65           HA       ARG  65 165.959  -5.278   3.236
  476   1HB   ARG  65          HB2       ARG  65 165.854  -6.936   4.834
  477   2HB   ARG  65          HB1       ARG  65 166.794  -7.740   3.588
  478   1HG   ARG  65          HG2       ARG  65 168.853  -7.211   4.793
  479   2HG   ARG  65          HG1       ARG  65 167.907  -6.410   6.049
  480   1HD   ARG  65          HD2       ARG  65 168.530  -8.682   6.706
  481   2HD   ARG  65          HD1       ARG  65 166.782  -8.508   6.559
  482    HE   ARG  65           HE       ARG  65 168.011  -9.484   4.163
  483   1HH1  ARG  65          HH11      ARG  65 166.777 -10.409   7.293
  484   2HH1  ARG  65          HH12      ARG  65 166.450 -12.043   6.821
  485   1HH2  ARG  65          HH21      ARG  65 167.582 -11.632   3.540
  486   2HH2  ARG  65          HH22      ARG  65 166.908 -12.737   4.690
  487    H    MET  66           HN       MET  66 169.353  -5.393   4.145
  488    HA   MET  66           HA       MET  66 169.353  -3.835   6.425
  489   1HB   MET  66          HB2       MET  66 171.364  -4.231   4.230
  490   2HB   MET  66          HB1       MET  66 171.705  -3.137   5.561
  491   1HG   MET  66          HG2       MET  66 170.829  -5.936   6.112
  492   2HG   MET  66          HG1       MET  66 172.500  -5.599   5.666
  493   1HE   MET  66          HE1       MET  66 171.159  -6.170   9.519
  494   2HE   MET  66          HE2       MET  66 172.747  -6.668   8.935
  495   3HE   MET  66          HE3       MET  66 171.308  -7.002   7.971
  496    H    LEU  67           HN       LEU  67 169.224  -2.862   3.061
  497    HA   LEU  67           HA       LEU  67 169.568  -0.071   3.549
  498   1HB   LEU  67          HB2       LEU  67 168.708  -1.734   1.213
  499   2HB   LEU  67          HB1       LEU  67 168.494   0.004   1.169
  500    HG   LEU  67           HG       LEU  67 171.097  -1.496   1.415
  501   1HD1  LEU  67          HD11      LEU  67 170.287   0.478  -0.691
  502   2HD1  LEU  67          HD12      LEU  67 169.902  -1.237  -0.828
  503   3HD1  LEU  67          HD13      LEU  67 171.584  -0.715  -0.733
  504   1HD2  LEU  67          HD21      LEU  67 171.703   0.294   2.654
  505   2HD2  LEU  67          HD22      LEU  67 170.392   1.302   2.041
  506   3HD2  LEU  67          HD23      LEU  67 171.845   1.059   1.071
  507    H    SER  68           HN       SER  68 166.788  -2.197   3.005
  508    HA   SER  68           HA       SER  68 164.763  -0.327   2.867
  509   1HB   SER  68          HB2       SER  68 164.419  -2.745   2.514
  510   2HB   SER  68          HB1       SER  68 164.645  -3.020   4.241
  511    HG   SER  68           HG       SER  68 162.416  -2.353   2.956
  512    H    GLY  69           HN       GLY  69 166.145  -1.839   5.739
  513   1HA   GLY  69          HA2       GLY  69 164.573  -0.688   7.676
  514   2HA   GLY  69          HA1       GLY  69 166.244  -1.155   7.916
  515    H    PHE  70           HN       PHE  70 167.053   0.772   5.749
  516    HA   PHE  70           HA       PHE  70 167.061   3.160   7.453
  517   1HB   PHE  70          HB2       PHE  70 168.911   2.229   5.259
  518   2HB   PHE  70          HB1       PHE  70 168.991   3.848   5.948
  519    HD1  PHE  70           HD1      PHE  70 168.840   3.673   8.703
  520    HD2  PHE  70           HD2      PHE  70 170.535   0.824   6.035
  521    HE1  PHE  70           HE1      PHE  70 170.272   2.832  10.518
  522    HE2  PHE  70           HE2      PHE  70 171.970  -0.023   7.845
  523    HZ   PHE  70           HZ       PHE  70 171.839   0.981  10.091
  524    H    CYS  71           HN       CYS  71 165.948   1.957   4.417
  525    HA   CYS  71           HA       CYS  71 165.750   4.065   2.738
  526   1HB   CYS  71          HB2       CYS  71 164.729   1.644   2.659
  527   2HB   CYS  71          HB1       CYS  71 163.271   2.458   3.210
  528    HA   PRO  72           HA       PRO  72 163.962   7.213   5.517
  529   1HB   PRO  72          HB2       PRO  72 163.508   8.828   3.206
  530   2HB   PRO  72          HB1       PRO  72 164.778   9.003   4.416
  531   1HG   PRO  72          HG2       PRO  72 164.872   7.714   1.753
  532   2HG   PRO  72          HG1       PRO  72 166.172   8.478   2.683
  533   1HD   PRO  72          HD2       PRO  72 166.035   5.819   2.402
  534   2HD   PRO  72          HD1       PRO  72 166.580   6.559   3.924
  535    H    HIS  73           HN       HIS  73 162.587   5.894   2.577
  536    HA   HIS  73           HA       HIS  73 159.941   6.006   3.752
  537   1HB   HIS  73          HB2       HIS  73 160.752   7.959   1.879
  538   2HB   HIS  73          HB1       HIS  73 159.683   6.860   1.013
  539    HD1  HIS  73           HD1      HIS  73 159.187   7.666   4.649
  540    HD2  HIS  73           HD2      HIS  73 157.542   8.624   0.955
  541    HE1  HIS  73           HE1      HIS  73 157.053   8.893   5.161
  542    HE2  HIS  73           HE2      HIS  73 156.032   9.386   2.911
  543    H    LYS  74           HN       LYS  74 158.503   5.310   1.439
  544    HA   LYS  74           HA       LYS  74 159.426   2.565   1.103
  545   1HB   LYS  74          HB2       LYS  74 156.825   3.982   0.788
  546   2HB   LYS  74          HB1       LYS  74 157.090   2.533  -0.172
  547   1HG   LYS  74          HG2       LYS  74 157.290   2.704   2.828
  548   2HG   LYS  74          HG1       LYS  74 155.925   2.050   1.920
  549   1HD   LYS  74          HD2       LYS  74 156.979   0.081   2.187
  550   2HD   LYS  74          HD1       LYS  74 157.994   0.642   0.857
  551   1HE   LYS  74          HE2       LYS  74 159.235   1.804   2.960
  552   2HE   LYS  74          HE1       LYS  74 158.609   0.343   3.723
  553   1HZ   LYS  74          HZ1       LYS  74 160.553  -0.467   2.937
  554   2HZ   LYS  74          HZ2       LYS  74 160.646   0.634   1.656
  555   3HZ   LYS  74          HZ3       LYS  74 159.630  -0.714   1.540
  556    H    VAL  75           HN       VAL  75 160.121   1.699  -0.777
  557    HA   VAL  75           HA       VAL  75 159.602   2.853  -3.326
  558    HB   VAL  75           HB       VAL  75 161.321   4.435  -2.594
  559   1HG1  VAL  75          1HG1      VAL  75 163.187   3.871  -1.511
  560   2HG1  VAL  75          2HG1      VAL  75 163.557   2.573  -2.646
  561   3HG1  VAL  75          3HG1      VAL  75 162.450   2.283  -1.305
  562   1HG2  VAL  75          1HG2      VAL  75 161.270   4.025  -4.928
  563   2HG2  VAL  75          2HG2      VAL  75 162.128   2.495  -4.749
  564   3HG2  VAL  75          3HG2      VAL  75 162.969   4.017  -4.456
  565    H    SER  76           HN       SER  76 159.009   0.834  -4.009
  566    HA   SER  76           HA       SER  76 160.963  -1.303  -3.938
  567   1HB   SER  76          HB2       SER  76 158.782  -1.704  -2.804
  568   2HB   SER  76          HB1       SER  76 157.985  -1.422  -4.351
  569    HG   SER  76           HG       SER  76 158.696  -3.694  -3.566
  570    H    ALA  77           HN       ALA  77 159.059  -2.377  -5.810
  571    HA   ALA  77           HA       ALA  77 159.548  -0.966  -8.293
  572   1HB   ALA  77          HB1       ALA  77 160.527  -3.027  -9.367
  573   2HB   ALA  77          HB2       ALA  77 160.748  -3.665  -7.739
  574   3HB   ALA  77          HB3       ALA  77 161.573  -2.183  -8.225
  575    H    GLY  78           HN       GLY  78 158.905  -4.408  -7.934
  576   1HA   GLY  78          HA2       GLY  78 157.166  -5.683  -8.727
  577   2HA   GLY  78          HA1       GLY  78 156.186  -4.518  -7.855
  578    H    GLN  79           HN       GLN  79 158.168  -3.659 -10.606
  579    HA   GLN  79           HA       GLN  79 157.668  -2.878 -12.682
  580   1HB   GLN  79          HB2       GLN  79 156.498  -5.211 -12.683
  581   2HB   GLN  79          HB1       GLN  79 155.014  -4.273 -12.590
  582   1HG   GLN  79          HG2       GLN  79 156.166  -3.001 -14.624
  583   2HG   GLN  79          HG1       GLN  79 156.936  -4.576 -14.816
  584   1HE2  GLN  79          1HE2      GLN  79 154.177  -2.726 -15.386
  585   2HE2  GLN  79          2HE2      GLN  79 153.149  -3.983 -15.976
  586    H    PHE  80           HN       PHE  80 157.484  -0.738 -11.918
  587    HA   PHE  80           HA       PHE  80 154.712   0.228 -11.661
  588   1HB   PHE  80          HB2       PHE  80 157.159   0.839 -10.139
  589   2HB   PHE  80          HB1       PHE  80 156.216   2.250 -10.607
  590    HD1  PHE  80           HD1      PHE  80 155.059  -1.154  -9.660
  591    HD2  PHE  80           HD2      PHE  80 155.223   2.976  -8.645
  592    HE1  PHE  80           HE1      PHE  80 153.527  -1.560  -7.777
  593    HE2  PHE  80           HE2      PHE  80 153.692   2.578  -6.760
  594    HZ   PHE  80           HZ       PHE  80 152.843   0.307  -6.324
  595    H    SER  81           HN       SER  81 157.702   2.061 -12.153
  596    HA   SER  81           HA       SER  81 157.613   2.464 -14.881
  597   1HB   SER  81          HB2       SER  81 156.591   4.936 -14.630
  598   2HB   SER  81          HB1       SER  81 155.601   3.540 -15.054
  599    HG   SER  81           HG       SER  81 156.015   4.354 -12.376
  600    H    SER  82           HN       SER  82 159.825   2.547 -14.567
  601    HA   SER  82           HA       SER  82 161.867   3.478 -14.197
  602   1HB   SER  82          HB2       SER  82 162.106   5.760 -14.684
  603   2HB   SER  82          HB1       SER  82 160.621   5.320 -15.527
  604    HG   SER  82           HG       SER  82 159.673   6.784 -14.376
  605    H    LEU  83           HN       LEU  83 162.788   5.567 -12.689
  606    HA   LEU  83           HA       LEU  83 161.629   5.369 -10.032
  607   1HB   LEU  83          HB2       LEU  83 164.386   4.361 -10.710
  608   2HB   LEU  83          HB1       LEU  83 163.901   4.779  -9.077
  609    HG   LEU  83           HG       LEU  83 162.633   2.635 -10.784
  610   1HD1  LEU  83          HD11      LEU  83 164.484   1.519 -10.165
  611   2HD1  LEU  83          HD12      LEU  83 163.649   1.380  -8.618
  612   3HD1  LEU  83          HD13      LEU  83 164.855   2.645  -8.859
  613   1HD2  LEU  83          HD21      LEU  83 161.485   2.025  -8.673
  614   2HD2  LEU  83          HD22      LEU  83 160.998   3.598  -9.306
  615   3HD2  LEU  83          HD23      LEU  83 162.115   3.502  -7.944
  616    H    HIS  84           HN       HIS  84 161.275   7.625 -10.627
  617    HA   HIS  84           HA       HIS  84 161.715   9.827 -10.252
  618   1HB   HIS  84          HB2       HIS  84 163.291   8.629  -8.421
  619   2HB   HIS  84          HB1       HIS  84 164.521   9.427  -9.395
  620    HD1  HIS  84           HD1      HIS  84 163.686  10.183  -6.412
  621    HD2  HIS  84           HD2      HIS  84 162.545  12.169  -9.879
  622    HE1  HIS  84           HE1      HIS  84 163.105  12.520  -5.688
  623    HE2  HIS  84           HE2      HIS  84 162.506  13.728  -7.816
  624    H    VAL  85           HN       VAL  85 162.968   8.041 -12.582
  625    HA   VAL  85           HA       VAL  85 164.291   8.352 -14.427
  626    HB   VAL  85           HB       VAL  85 162.300   9.648 -14.980
  627   1HG1  VAL  85          1HG1      VAL  85 162.127  11.259 -13.285
  628   2HG1  VAL  85          2HG1      VAL  85 162.473  12.178 -14.749
  629   3HG1  VAL  85          3HG1      VAL  85 163.754  11.870 -13.578
  630   1HG2  VAL  85          1HG2      VAL  85 164.504  11.366 -15.998
  631   2HG2  VAL  85          2HG2      VAL  85 163.167  10.609 -16.864
  632   3HG2  VAL  85          3HG2      VAL  85 164.551   9.641 -16.358
  633    H    ARG  86           HN       ARG  86 166.013   8.456 -12.427
  634    HA   ARG  86           HA       ARG  86 167.426  10.782 -11.906
  635   1HB   ARG  86          HB2       ARG  86 167.720   8.511 -10.823
  636   2HB   ARG  86          HB1       ARG  86 168.695   8.061 -12.215
  637   1HG   ARG  86          HG2       ARG  86 170.017  10.240 -11.600
  638   2HG   ARG  86          HG1       ARG  86 169.297   9.968 -10.013
  639   1HD   ARG  86          HD2       ARG  86 170.359   7.515 -11.098
  640   2HD   ARG  86          HD1       ARG  86 171.594   8.773 -11.062
  641    HE   ARG  86           HE       ARG  86 171.593   8.670  -8.773
  642   1HH1  ARG  86          HH11      ARG  86 168.783   6.995  -9.989
  643   2HH1  ARG  86          HH12      ARG  86 168.352   6.338  -8.446
  644   1HH2  ARG  86          HH21      ARG  86 171.028   7.806  -6.743
  645   2HH2  ARG  86          HH22      ARG  86 169.626   6.798  -6.603
  646    H    ASP  87           HN       ASP  87 167.511   8.703 -14.707
  647    HA   ASP  87           HA       ASP  87 168.376   8.983 -16.788
  648   1HB   ASP  87          HB2       ASP  87 168.980  11.730 -15.718
  649   2HB   ASP  87          HB1       ASP  87 169.340  11.248 -17.371
  650    H    THR  88           HN       THR  88 170.209   8.906 -14.020
  651    HA   THR  88           HA       THR  88 172.701   8.639 -15.564
  652    HB   THR  88           HB       THR  88 173.554   8.963 -12.990
  653    HG1  THR  88           1HG      THR  88 172.352  10.567 -12.054
  654   1HG2  THR  88          1HG2      THR  88 173.063  11.102 -15.043
  655   2HG2  THR  88          2HG2      THR  88 174.542  10.175 -14.788
  656   3HG2  THR  88          3HG2      THR  88 174.006  11.332 -13.570
  657    H    LYS  89           HN       LYS  89 173.548   6.672 -15.635
  658    HA   LYS  89           HA       LYS  89 172.773   4.731 -13.558
  659   1HB   LYS  89          HB2       LYS  89 172.799   4.551 -16.501
  660   2HB   LYS  89          HB1       LYS  89 173.495   3.168 -15.670
  661   1HG   LYS  89          HG2       LYS  89 171.437   2.383 -15.439
  662   2HG   LYS  89          HG1       LYS  89 171.135   3.695 -14.298
  663   1HD   LYS  89          HD2       LYS  89 170.464   5.126 -16.223
  664   2HD   LYS  89          HD1       LYS  89 170.624   3.715 -17.271
  665   1HE   LYS  89          HE2       LYS  89 168.879   2.569 -16.111
  666   2HE   LYS  89          HE1       LYS  89 168.827   3.805 -14.855
  667   1HZ   LYS  89          HZ1       LYS  89 167.023   4.236 -16.271
  668   2HZ   LYS  89          HZ2       LYS  89 167.948   4.037 -17.673
  669   3HZ   LYS  89          HZ3       LYS  89 168.188   5.390 -16.687
  670    H    ILE  90           HN       ILE  90 174.354   3.180 -12.931
  671    HA   ILE  90           HA       ILE  90 177.114   3.851 -13.702
  672    HB   ILE  90           HB       ILE  90 177.897   3.644 -11.452
  673   1HG1  ILE  90          2HG1      ILE  90 175.041   3.079 -10.626
  674   2HG1  ILE  90          1HG1      ILE  90 176.315   1.868 -10.731
  675   1HG2  ILE  90          1HG2      ILE  90 177.387   5.833 -11.534
  676   2HG2  ILE  90          2HG2      ILE  90 176.150   5.384 -10.358
  677   3HG2  ILE  90          3HG2      ILE  90 175.731   5.535 -12.064
  678   1HD1  ILE  90          HD11      ILE  90 177.516   3.617  -9.111
  679   2HD1  ILE  90          HD12      ILE  90 176.481   2.312  -8.534
  680   3HD1  ILE  90          HD13      ILE  90 175.833   3.942  -8.697
  681    H    GLU  91           HN       GLU  91 178.544   2.026 -12.394
  682    HA   GLU  91           HA       GLU  91 177.708  -0.460 -13.655
  683   1HB   GLU  91          HB2       GLU  91 180.271   0.648 -12.622
  684   2HB   GLU  91          HB1       GLU  91 180.088  -1.100 -12.629
  685   1HG   GLU  91          HG2       GLU  91 179.547   0.542 -15.075
  686   2HG   GLU  91          HG1       GLU  91 181.174   0.006 -14.656
  687    H    VAL  92           HN       VAL  92 177.229  -2.325 -12.594
  688    HA   VAL  92           HA       VAL  92 176.038  -2.295 -10.125
  689    HB   VAL  92           HB       VAL  92 176.941  -4.883 -10.205
  690   1HG1  VAL  92          1HG1      VAL  92 174.680  -4.622  -9.975
  691   2HG1  VAL  92          2HG1      VAL  92 174.767  -5.185 -11.644
  692   3HG1  VAL  92          3HG1      VAL  92 174.566  -3.467 -11.302
  693   1HG2  VAL  92          1HG2      VAL  92 176.598  -4.085 -13.085
  694   2HG2  VAL  92          2HG2      VAL  92 177.069  -5.657 -12.437
  695   3HG2  VAL  92          3HG2      VAL  92 178.177  -4.289 -12.326
  696    H    ALA  93           HN       ALA  93 179.422  -3.092 -10.848
  697    HA   ALA  93           HA       ALA  93 180.199  -3.894  -8.286
  698   1HB   ALA  93          HB1       ALA  93 182.315  -3.920  -9.102
  699   2HB   ALA  93          HB2       ALA  93 182.157  -2.341  -9.871
  700   3HB   ALA  93          HB3       ALA  93 181.464  -3.770 -10.639
  701    H    GLN  94           HN       GLN  94 180.399  -0.676  -9.789
  702    HA   GLN  94           HA       GLN  94 181.356   0.657  -7.491
  703   1HB   GLN  94          HB2       GLN  94 180.772   1.328 -10.164
  704   2HB   GLN  94          HB1       GLN  94 179.777   2.389  -9.176
  705   1HG   GLN  94          HG2       GLN  94 182.705   2.043  -8.654
  706   2HG   GLN  94          HG1       GLN  94 182.100   3.197  -9.841
  707   1HE2  GLN  94          1HE2      GLN  94 182.070   2.307  -6.450
  708   2HE2  GLN  94          2HE2      GLN  94 181.647   3.870  -5.847
  709    H    PHE  95           HN       PHE  95 178.244  -0.409  -8.490
  710    HA   PHE  95           HA       PHE  95 176.633   1.327  -6.957
  711   1HB   PHE  95          HB2       PHE  95 175.956  -0.236  -8.873
  712   2HB   PHE  95          HB1       PHE  95 175.934  -1.510  -7.662
  713    HD1  PHE  95           HD1      PHE  95 173.976  -1.931  -6.520
  714    HD2  PHE  95           HD2      PHE  95 174.564   1.887  -8.298
  715    HE1  PHE  95           HE1      PHE  95 171.677  -1.298  -5.915
  716    HE2  PHE  95           HE2      PHE  95 172.272   2.527  -7.699
  717    HZ   PHE  95           HZ       PHE  95 170.821   0.934  -6.507
  718    H    VAL  96           HN       VAL  96 177.690  -1.992  -6.378
  719    HA   VAL  96           HA       VAL  96 176.649  -2.235  -3.784
  720    HB   VAL  96           HB       VAL  96 179.108  -3.625  -4.857
  721   1HG1  VAL  96          1HG1      VAL  96 177.214  -4.981  -3.049
  722   2HG1  VAL  96          2HG1      VAL  96 178.180  -3.688  -2.339
  723   3HG1  VAL  96          3HG1      VAL  96 178.975  -5.056  -3.117
  724   1HG2  VAL  96          1HG2      VAL  96 177.696  -4.346  -6.458
  725   2HG2  VAL  96          2HG2      VAL  96 176.259  -3.901  -5.537
  726   3HG2  VAL  96          3HG2      VAL  96 177.100  -5.410  -5.184
  727    H    LYS  97           HN       LYS  97 179.881  -1.325  -4.922
  728    HA   LYS  97           HA       LYS  97 181.110  -0.983  -2.446
  729   1HB   LYS  97          HB2       LYS  97 181.624   0.589  -4.976
  730   2HB   LYS  97          HB1       LYS  97 182.728   0.423  -3.618
  731   1HG   LYS  97          HG2       LYS  97 183.238  -1.770  -4.127
  732   2HG   LYS  97          HG1       LYS  97 181.752  -2.009  -5.050
  733   1HD   LYS  97          HD2       LYS  97 182.576  -0.806  -6.892
  734   2HD   LYS  97          HD1       LYS  97 183.884  -0.092  -5.947
  735   1HE   LYS  97          HE2       LYS  97 184.907  -2.318  -5.721
  736   2HE   LYS  97          HE1       LYS  97 183.618  -2.997  -6.714
  737   1HZ   LYS  97          HZ1       LYS  97 185.169  -2.642  -8.308
  738   2HZ   LYS  97          HZ2       LYS  97 185.897  -1.349  -7.497
  739   3HZ   LYS  97          HZ3       LYS  97 184.450  -1.111  -8.340
  740    H    ASP  98           HN       ASP  98 179.237   1.345  -4.387
  741    HA   ASP  98           HA       ASP  98 179.655   3.516  -2.656
  742   1HB   ASP  98          HB2       ASP  98 177.837   2.956  -4.917
  743   2HB   ASP  98          HB1       ASP  98 177.367   4.253  -3.823
  744    H    LEU  99           HN       LEU  99 177.305   1.075  -2.829
  745    HA   LEU  99           HA       LEU  99 175.428   1.981  -0.984
  746   1HB   LEU  99          HB2       LEU  99 174.682   0.130  -2.029
  747   2HB   LEU  99          HB1       LEU  99 176.329  -0.417  -2.316
  748    HG   LEU  99           HG       LEU  99 176.079  -1.050   0.309
  749   1HD1  LEU  99          HD11      LEU  99 173.691  -0.202   0.206
  750   2HD1  LEU  99          HD12      LEU  99 173.924  -1.828   0.848
  751   3HD1  LEU  99          HD13      LEU  99 173.346  -1.607  -0.803
  752   1HD2  LEU  99          HD21      LEU  99 175.244  -2.655  -2.097
  753   2HD2  LEU  99          HD22      LEU  99 175.487  -3.341  -0.491
  754   3HD2  LEU  99          HD23      LEU  99 176.838  -2.595  -1.344
  755    H    LEU 100           HN       LEU 100 178.435   0.188  -0.647
  756    HA   LEU 100           HA       LEU 100 178.358  -0.173   2.170
  757   1HB   LEU 100          HB2       LEU 100 179.738  -1.638   0.931
  758   2HB   LEU 100          HB1       LEU 100 180.493  -0.325   0.059
  759    HG   LEU 100           HG       LEU 100 181.813  -1.626   1.890
  760   1HD1  LEU 100          HD11      LEU 100 183.165   0.352   2.324
  761   2HD1  LEU 100          HD12      LEU 100 181.862   1.381   1.734
  762   3HD1  LEU 100          HD13      LEU 100 182.671   0.267   0.634
  763   1HD2  LEU 100          HD21      LEU 100 179.808  -0.347   3.488
  764   2HD2  LEU 100          HD22      LEU 100 181.400   0.270   3.918
  765   3HD2  LEU 100          HD23      LEU 100 181.082  -1.462   3.973
  766    H    LEU 101           HN       LEU 101 179.534   2.293   0.013
  767    HA   LEU 101           HA       LEU 101 181.173   3.793   1.677
  768   1HB   LEU 101          HB2       LEU 101 181.170   4.338  -0.589
  769   2HB   LEU 101          HB1       LEU 101 179.442   4.405  -0.683
  770    HG   LEU 101           HG       LEU 101 180.939   6.574  -0.814
  771   1HD1  LEU 101          HD11      LEU 101 178.292   6.088  -0.609
  772   2HD1  LEU 101          HD12      LEU 101 179.000   7.699  -0.724
  773   3HD1  LEU 101          HD13      LEU 101 178.562   7.043   0.850
  774   1HD2  LEU 101          HD21      LEU 101 181.642   5.879   1.680
  775   2HD2  LEU 101          HD22      LEU 101 180.241   6.892   2.028
  776   3HD2  LEU 101          HD23      LEU 101 181.595   7.548   1.108
  777    H    HIS 102           HN       HIS 102 177.910   4.728   0.777
  778    HA   HIS 102           HA       HIS 102 177.599   6.584   2.860
  779   1HB   HIS 102          HB2       HIS 102 176.300   6.560   0.736
  780   2HB   HIS 102          HB1       HIS 102 175.391   5.181   1.347
  781    HD2  HIS 102           HD2      HIS 102 174.398   5.995   4.133
  782    HE1  HIS 102           HE1      HIS 102 173.362   9.748   2.476
  783    HE2  HIS 102           HE2      HIS 102 173.180   8.258   4.519
  784    H    LEU 103           HN       LEU 103 176.534   3.192   2.640
  785    HA   LEU 103           HA       LEU 103 174.995   3.134   4.958
  786   1HB   LEU 103          HB2       LEU 103 176.555   1.094   3.447
  787   2HB   LEU 103          HB1       LEU 103 175.840   0.663   4.985
  788    HG   LEU 103           HG       LEU 103 174.245   1.816   2.708
  789   1HD1  LEU 103          HD11      LEU 103 175.208  -0.247   1.941
  790   2HD1  LEU 103          HD12      LEU 103 173.501  -0.504   2.306
  791   3HD1  LEU 103          HD13      LEU 103 174.738  -1.064   3.432
  792   1HD2  LEU 103          HD21      LEU 103 173.593   1.638   5.325
  793   2HD2  LEU 103          HD22      LEU 103 173.030   0.072   4.739
  794   3HD2  LEU 103          HD23      LEU 103 172.426   1.557   4.006
  795    H    LYS 104           HN       LYS 104 178.437   2.232   4.598
  796    HA   LYS 104           HA       LYS 104 178.890   1.751   7.322
  797   1HB   LYS 104          HB2       LYS 104 181.114   1.496   6.773
  798   2HB   LYS 104          HB1       LYS 104 180.364   1.265   5.202
  799   1HG   LYS 104          HG2       LYS 104 180.771   3.847   4.977
  800   2HG   LYS 104          HG1       LYS 104 181.993   3.540   6.212
  801   1HD   LYS 104          HD2       LYS 104 181.782   2.148   3.545
  802   2HD   LYS 104          HD1       LYS 104 182.942   3.410   3.962
  803   1HE   LYS 104          HE2       LYS 104 182.725   0.760   5.384
  804   2HE   LYS 104          HE1       LYS 104 183.862   1.096   4.079
  805   1HZ   LYS 104          HZ1       LYS 104 184.660   2.995   5.519
  806   2HZ   LYS 104          HZ2       LYS 104 185.044   1.438   6.056
  807   3HZ   LYS 104          HZ3       LYS 104 183.781   2.295   6.783
  808    H    LYS 105           HN       LYS 105 179.073   4.729   5.423
  809    HA   LYS 105           HA       LYS 105 180.270   6.306   7.436
  810   1HB   LYS 105          HB2       LYS 105 179.108   6.691   4.812
  811   2HB   LYS 105          HB1       LYS 105 178.673   8.008   5.892
  812   1HG   LYS 105          HG2       LYS 105 180.748   8.838   5.899
  813   2HG   LYS 105          HG1       LYS 105 181.473   7.236   6.061
  814   1HD   LYS 105          HD2       LYS 105 181.292   6.840   3.715
  815   2HD   LYS 105          HD1       LYS 105 180.353   8.317   3.483
  816   1HE   LYS 105          HE2       LYS 105 182.355   9.182   2.906
  817   2HE   LYS 105          HE1       LYS 105 182.560   9.331   4.650
  818   1HZ   LYS 105          HZ1       LYS 105 183.801   7.318   4.703
  819   2HZ   LYS 105          HZ2       LYS 105 184.461   8.282   3.480
  820   3HZ   LYS 105          HZ3       LYS 105 183.460   6.980   3.080
  821    H    LEU 106           HN       LEU 106 177.017   5.262   6.855
  822    HA   LEU 106           HA       LEU 106 175.789   7.159   8.623
  823   1HB   LEU 106          HB2       LEU 106 174.486   6.326   6.805
  824   2HB   LEU 106          HB1       LEU 106 174.804   4.665   7.264
  825    HG   LEU 106           HG       LEU 106 173.533   5.226   9.435
  826   1HD1  LEU 106          HD11      LEU 106 171.723   7.048   8.459
  827   2HD1  LEU 106          HD12      LEU 106 173.274   7.709   7.941
  828   3HD1  LEU 106          HD13      LEU 106 172.983   7.375   9.648
  829   1HD2  LEU 106          HD21      LEU 106 172.780   4.165   7.000
  830   2HD2  LEU 106          HD22      LEU 106 171.521   5.351   7.347
  831   3HD2  LEU 106          HD23      LEU 106 171.870   4.071   8.508
  832    H    PHE 107           HN       PHE 107 176.063   3.637   8.724
  833    HA   PHE 107           HA       PHE 107 175.289   3.323  11.383
  834   1HB   PHE 107          HB2       PHE 107 175.924   1.616   9.344
  835   2HB   PHE 107          HB1       PHE 107 177.289   1.376  10.431
  836    HD1  PHE 107           HD1      PHE 107 173.801   0.741   9.825
  837    HD2  PHE 107           HD2      PHE 107 176.850   0.667  12.791
  838    HE1  PHE 107           HE1      PHE 107 172.409  -0.739  11.213
  839    HE2  PHE 107           HE2      PHE 107 175.466  -0.815  14.184
  840    HZ   PHE 107           HZ       PHE 107 173.241  -1.520  13.394
  841    H    ARG 108           HN       ARG 108 178.279   4.392  10.030
  842    HA   ARG 108           HA       ARG 108 179.796   3.884  12.453
  843   1HB   ARG 108          HB2       ARG 108 180.861   3.704  10.233
  844   2HB   ARG 108          HB1       ARG 108 180.566   5.416   9.964
  845   1HG   ARG 108          HG2       ARG 108 182.036   4.725  12.424
  846   2HG   ARG 108          HG1       ARG 108 182.876   4.438  10.898
  847   1HD   ARG 108          HD2       ARG 108 181.489   7.042  11.384
  848   2HD   ARG 108          HD1       ARG 108 183.083   6.749  12.078
  849    HE   ARG 108           HE       ARG 108 182.957   6.168   9.275
  850   1HH1  ARG 108          HH11      ARG 108 183.383   8.710  11.628
  851   2HH1  ARG 108          HH12      ARG 108 184.269   9.733  10.548
  852   1HH2  ARG 108          HH21      ARG 108 184.122   7.512   7.853
  853   2HH2  ARG 108          HH22      ARG 108 184.688   9.053   8.404
  854    H    GLU 109           HN       GLU 109 178.470   6.683  10.723
  855    HA   GLU 109           HA       GLU 109 179.473   8.603  12.573
  856   1HB   GLU 109          HB2       GLU 109 177.387   8.687  10.409
  857   2HB   GLU 109          HB1       GLU 109 177.670  10.070  11.457
  858   1HG   GLU 109          HG2       GLU 109 180.065   8.902  10.208
  859   2HG   GLU 109          HG1       GLU 109 178.920   9.676   9.113
  860    H    GLY 110           HN       GLY 110 176.827   6.440  12.662
  861   1HA   GLY 110          HA2       GLY 110 174.958   7.879  14.171
  862   2HA   GLY 110          HA1       GLY 110 175.119   6.131  14.155
  863    H    ARG 111           HN       ARG 111 175.637   5.194  16.012
  864    HA   ARG 111           HA       ARG 111 176.881   6.833  18.106
  865   1HB   ARG 111          HB2       ARG 111 174.616   4.912  18.132
  866   2HB   ARG 111          HB1       ARG 111 175.675   4.920  19.530
  867   1HG   ARG 111          HG2       ARG 111 175.212   7.223  19.959
  868   2HG   ARG 111          HG1       ARG 111 174.335   7.374  18.435
  869   1HD   ARG 111          HD2       ARG 111 172.464   6.843  19.507
  870   2HD   ARG 111          HD1       ARG 111 173.137   5.245  19.824
  871    HE   ARG 111           HE       ARG 111 173.301   5.850  22.007
  872   1HH1  ARG 111          HH11      ARG 111 173.402   8.757  20.079
  873   2HH1  ARG 111          HH12      ARG 111 173.474   9.813  21.450
  874   1HH2  ARG 111          HH21      ARG 111 173.395   7.237  23.811
  875   2HH2  ARG 111          HH22      ARG 111 173.471   8.950  23.569
  876    H    PHE 112           HN       PHE 112 178.482   5.562  16.320
  877    HA   PHE 112           HA       PHE 112 179.300   2.964  17.017
  878   1HB   PHE 112          HB2       PHE 112 180.938   3.252  15.458
  879   2HB   PHE 112          HB1       PHE 112 179.866   4.567  14.991
  880    HD1  PHE 112           HD1      PHE 112 183.011   3.670  16.517
  881    HD2  PHE 112           HD2      PHE 112 180.427   6.857  15.464
  882    HE1  PHE 112           HE1      PHE 112 184.871   5.264  16.844
  883    HE2  PHE 112           HE2      PHE 112 182.267   8.474  15.779
  884    HZ   PHE 112           HZ       PHE 112 184.495   7.674  16.473
  885    H    ASN 113           HN       ASN 113 180.318   6.138  18.106
  886    HA   ASN 113           HA       ASN 113 182.485   5.330  19.702
  887   1HB   ASN 113          HB2       ASN 113 182.211   7.515  20.832
  888   2HB   ASN 113          HB1       ASN 113 182.165   7.660  19.078
  889   1HD2  ASN 113          HD21      ASN 113 180.151   7.488  21.959
  890   2HD2  ASN 113          HD22      ASN 113 178.831   8.395  21.312
  Start of MODEL   17
    1   1H    GLY   1          HT1       GLY   1 191.109  -7.249   8.079
    2   2H    GLY   1          HT2       GLY   1 191.306  -8.765   7.355
    3   3H    GLY   1          HT3       GLY   1 192.183  -8.373   8.747
    4   1HA   GLY   1          HA1       GLY   1 190.294  -8.442  10.118
    5   2HA   GLY   1          HA2       GLY   1 189.227  -8.456   8.722
    6    H    GLY   2           HN       GLY   2 192.137 -10.383   8.833
    7   1HA   GLY   2          HA2       GLY   2 191.774 -12.694   9.943
    8   2HA   GLY   2          HA1       GLY   2 190.448 -12.789   8.794
    9    HA   PRO   3           HA       PRO   3 194.872 -14.073   7.139
   10   1HB   PRO   3          HB2       PRO   3 193.630 -16.763   7.388
   11   2HB   PRO   3          HB1       PRO   3 195.309 -16.273   7.637
   12   1HG   PRO   3          HG2       PRO   3 193.726 -16.794   9.713
   13   2HG   PRO   3          HG1       PRO   3 194.896 -15.462   9.771
   14   1HD   PRO   3          HD2       PRO   3 191.935 -15.374   9.401
   15   2HD   PRO   3          HD1       PRO   3 192.999 -14.249  10.268
   16    H    VAL   4           HN       VAL   4 191.991 -16.038   6.551
   17    HA   VAL   4           HA       VAL   4 192.287 -16.448   3.874
   18    HB   VAL   4           HB       VAL   4 189.721 -16.582   3.881
   19   1HG1  VAL   4          1HG1      VAL   4 191.603 -18.385   4.390
   20   2HG1  VAL   4          2HG1      VAL   4 189.884 -18.760   4.500
   21   3HG1  VAL   4          3HG1      VAL   4 190.799 -18.386   5.960
   22   1HG2  VAL   4          1HG2      VAL   4 188.532 -16.279   5.792
   23   2HG2  VAL   4          2HG2      VAL   4 189.821 -15.114   6.092
   24   3HG2  VAL   4          3HG2      VAL   4 189.890 -16.714   6.831
   25    HA   PRO   5           HA       PRO   5 191.709 -12.142   2.547
   26   1HB   PRO   5          HB2       PRO   5 192.567 -12.526   0.005
   27   2HB   PRO   5          HB1       PRO   5 193.674 -12.333   1.369
   28   1HG   PRO   5          HG2       PRO   5 192.759 -14.841   0.013
   29   2HG   PRO   5          HG1       PRO   5 194.389 -14.388   0.546
   30   1HD   PRO   5          HD2       PRO   5 192.801 -16.052   1.974
   31   2HD   PRO   5          HD1       PRO   5 193.965 -14.953   2.741
   32    HA   PRO   6           HA       PRO   6 187.661 -13.291   0.813
   33   1HB   PRO   6          HB2       PRO   6 186.504 -10.871   1.233
   34   2HB   PRO   6          HB1       PRO   6 186.675 -12.086   2.504
   35   1HG   PRO   6          HG2       PRO   6 188.365  -9.679   1.945
   36   2HG   PRO   6          HG1       PRO   6 187.774 -10.294   3.500
   37   1HD   PRO   6          HD2       PRO   6 190.298 -10.733   2.631
   38   2HD   PRO   6          HD1       PRO   6 189.417 -11.907   3.630
   39    H    SER   7           HN       SER   7 188.939 -13.344  -1.251
   40    HA   SER   7           HA       SER   7 188.936 -10.895  -2.807
   41   1HB   SER   7          HB2       SER   7 189.834 -13.712  -3.438
   42   2HB   SER   7          HB1       SER   7 189.916 -12.382  -4.593
   43    HG   SER   7           HG       SER   7 191.204 -11.276  -2.959
   44    H    THR   8           HN       THR   8 187.421 -14.107  -2.980
   45    HA   THR   8           HA       THR   8 185.836 -13.533  -5.253
   46    HB   THR   8           HB       THR   8 185.387 -15.592  -3.085
   47    HG1  THR   8           1HG      THR   8 186.769 -16.814  -4.123
   48   1HG2  THR   8          1HG2      THR   8 183.457 -15.101  -4.683
   49   2HG2  THR   8          2HG2      THR   8 183.996 -16.773  -4.523
   50   3HG2  THR   8          3HG2      THR   8 184.480 -15.820  -5.926
   51    H    ALA   9           HN       ALA   9 185.329 -13.159  -1.805
   52    HA   ALA   9           HA       ALA   9 182.569 -12.711  -1.799
   53   1HB   ALA   9          HB1       ALA   9 183.858 -13.081   0.240
   54   2HB   ALA   9          HB2       ALA   9 182.918 -11.592   0.342
   55   3HB   ALA   9          HB3       ALA   9 184.652 -11.519   0.028
   56    H    LEU  10           HN       LEU  10 185.193 -10.687  -2.817
   57    HA   LEU  10           HA       LEU  10 183.873  -8.185  -2.626
   58   1HB   LEU  10          HB2       LEU  10 186.264  -8.250  -2.819
   59   2HB   LEU  10          HB1       LEU  10 186.174  -9.140  -4.326
   60    HG   LEU  10           HG       LEU  10 184.758  -6.780  -4.817
   61   1HD1  LEU  10          HD11      LEU  10 185.860  -5.001  -3.936
   62   2HD1  LEU  10          HD12      LEU  10 187.381  -5.879  -3.771
   63   3HD1  LEU  10          HD13      LEU  10 186.080  -6.143  -2.611
   64   1HD2  LEU  10          HD21      LEU  10 187.427  -7.885  -5.570
   65   2HD2  LEU  10          HD22      LEU  10 186.983  -6.255  -6.078
   66   3HD2  LEU  10          HD23      LEU  10 185.993  -7.631  -6.564
   67    H    ARG  11           HN       ARG  11 184.198 -10.555  -5.241
   68    HA   ARG  11           HA       ARG  11 182.970  -9.111  -7.274
   69   1HB   ARG  11          HB2       ARG  11 182.719 -11.151  -8.428
   70   2HB   ARG  11          HB1       ARG  11 184.145 -11.369  -7.426
   71   1HG   ARG  11          HG2       ARG  11 183.253 -13.177  -6.521
   72   2HG   ARG  11          HG1       ARG  11 181.881 -12.232  -5.940
   73   1HD   ARG  11          HD2       ARG  11 181.193 -14.129  -7.353
   74   2HD   ARG  11          HD1       ARG  11 180.714 -12.573  -8.030
   75    HE   ARG  11           HE       ARG  11 182.026 -13.016  -9.841
   76   1HH1  ARG  11          HH11      ARG  11 183.051 -15.070  -7.213
   77   2HH1  ARG  11          HH12      ARG  11 184.176 -15.961  -8.182
   78   1HH2  ARG  11          HH21      ARG  11 183.505 -14.187 -11.118
   79   2HH2  ARG  11          HH22      ARG  11 184.434 -15.459 -10.399
   80    H    GLU  12           HN       GLU  12 181.615 -10.559  -4.451
   81    HA   GLU  12           HA       GLU  12 178.949 -10.841  -5.353
   82   1HB   GLU  12          HB2       GLU  12 180.396 -11.166  -2.885
   83   2HB   GLU  12          HB1       GLU  12 178.888 -10.314  -2.585
   84   1HG   GLU  12          HG2       GLU  12 177.727 -12.144  -3.855
   85   2HG   GLU  12          HG1       GLU  12 179.258 -13.018  -3.840
   86    H    LEU  13           HN       LEU  13 180.418  -8.307  -3.261
   87    HA   LEU  13           HA       LEU  13 178.116  -6.657  -3.399
   88   1HB   LEU  13          HB2       LEU  13 180.780  -6.542  -2.226
   89   2HB   LEU  13          HB1       LEU  13 180.211  -4.975  -2.775
   90    HG   LEU  13           HG       LEU  13 178.184  -6.442  -1.286
   91   1HD1  LEU  13          HD11      LEU  13 180.229  -7.271  -0.163
   92   2HD1  LEU  13          HD12      LEU  13 179.180  -6.313   0.880
   93   3HD1  LEU  13          HD13      LEU  13 180.650  -5.602   0.216
   94   1HD2  LEU  13          HD21      LEU  13 179.399  -3.707  -1.270
   95   2HD2  LEU  13          HD22      LEU  13 178.304  -4.220   0.013
   96   3HD2  LEU  13          HD23      LEU  13 177.749  -4.191  -1.661
   97    H    ILE  14           HN       ILE  14 180.935  -7.030  -5.396
   98    HA   ILE  14           HA       ILE  14 180.775  -4.548  -6.750
   99    HB   ILE  14           HB       ILE  14 182.283  -7.057  -7.062
  100   1HG1  ILE  14          2HG1      ILE  14 184.123  -5.488  -7.457
  101   2HG1  ILE  14          1HG1      ILE  14 182.978  -4.153  -7.552
  102   1HG2  ILE  14          1HG2      ILE  14 181.556  -5.390  -9.455
  103   2HG2  ILE  14          2HG2      ILE  14 181.448  -7.138  -9.257
  104   3HG2  ILE  14          3HG2      ILE  14 183.027  -6.363  -9.392
  105   1HD1  ILE  14          HD11      ILE  14 182.836  -3.970  -5.332
  106   2HD1  ILE  14          HD12      ILE  14 184.338  -4.894  -5.325
  107   3HD1  ILE  14          HD13      ILE  14 182.796  -5.716  -5.089
  108    H    GLU  15           HN       GLU  15 179.759  -7.827  -7.728
  109    HA   GLU  15           HA       GLU  15 178.508  -6.967 -10.117
  110   1HB   GLU  15          HB2       GLU  15 177.952  -9.508  -8.589
  111   2HB   GLU  15          HB1       GLU  15 177.669  -9.216 -10.299
  112   1HG   GLU  15          HG2       GLU  15 180.431  -8.896  -9.273
  113   2HG   GLU  15          HG1       GLU  15 179.785 -10.529  -9.432
  114    H    GLU  16           HN       GLU  16 177.332  -7.377  -6.833
  115    HA   GLU  16           HA       GLU  16 174.566  -7.287  -7.469
  116   1HB   GLU  16          HB2       GLU  16 175.790  -8.070  -5.322
  117   2HB   GLU  16          HB1       GLU  16 175.736  -6.380  -4.864
  118   1HG   GLU  16          HG2       GLU  16 173.152  -6.876  -5.626
  119   2HG   GLU  16          HG1       GLU  16 173.634  -8.390  -4.863
  120    H    LEU  17           HN       LEU  17 176.865  -4.865  -6.303
  121    HA   LEU  17           HA       LEU  17 175.005  -2.729  -6.281
  122   1HB   LEU  17          HB2       LEU  17 178.021  -2.746  -6.299
  123   2HB   LEU  17          HB1       LEU  17 177.039  -1.318  -6.037
  124    HG   LEU  17           HG       LEU  17 177.039  -3.758  -4.262
  125   1HD1  LEU  17          HD11      LEU  17 178.600  -2.813  -2.956
  126   2HD1  LEU  17          HD12      LEU  17 177.999  -1.180  -3.241
  127   3HD1  LEU  17          HD13      LEU  17 179.045  -1.954  -4.431
  128   1HD2  LEU  17          HD21      LEU  17 174.925  -2.760  -4.077
  129   2HD2  LEU  17          HD22      LEU  17 175.592  -1.130  -4.159
  130   3HD2  LEU  17          HD23      LEU  17 175.851  -2.117  -2.721
  131    H    VAL  18           HN       VAL  18 177.202  -4.090  -8.606
  132    HA   VAL  18           HA       VAL  18 177.043  -1.953 -10.444
  133    HB   VAL  18           HB       VAL  18 178.628  -4.156 -10.276
  134   1HG1  VAL  18          1HG1      VAL  18 176.674  -5.475 -11.276
  135   2HG1  VAL  18          2HG1      VAL  18 178.276  -5.695 -11.977
  136   3HG1  VAL  18          3HG1      VAL  18 177.091  -4.670 -12.789
  137   1HG2  VAL  18          1HG2      VAL  18 178.161  -2.073 -12.307
  138   2HG2  VAL  18          2HG2      VAL  18 179.167  -3.439 -12.788
  139   3HG2  VAL  18          3HG2      VAL  18 179.616  -2.464 -11.390
  140    H    ASN  19           HN       ASN  19 175.209  -4.820  -9.791
  141    HA   ASN  19           HA       ASN  19 173.625  -4.884 -12.121
  142   1HB   ASN  19          HB2       ASN  19 173.853  -6.750 -10.463
  143   2HB   ASN  19          HB1       ASN  19 172.843  -5.826  -9.355
  144   1HD2  ASN  19          HD21      ASN  19 170.704  -5.990  -9.517
  145   2HD2  ASN  19          HD22      ASN  19 169.862  -6.813 -10.781
  146    H    ILE  20           HN       ILE  20 172.879  -3.567  -8.851
  147    HA   ILE  20           HA       ILE  20 170.400  -2.499  -9.530
  148    HB   ILE  20           HB       ILE  20 170.687  -1.036  -7.602
  149   1HG1  ILE  20          2HG1      ILE  20 173.521  -1.948  -7.795
  150   2HG1  ILE  20          1HG1      ILE  20 172.902  -0.310  -7.569
  151   1HG2  ILE  20          1HG2      ILE  20 170.390  -3.713  -7.613
  152   2HG2  ILE  20          2HG2      ILE  20 170.261  -2.711  -6.168
  153   3HG2  ILE  20          3HG2      ILE  20 171.776  -3.536  -6.537
  154   1HD1  ILE  20          HD11      ILE  20 173.214  -2.509  -5.559
  155   2HD1  ILE  20          HD12      ILE  20 172.107  -1.167  -5.279
  156   3HD1  ILE  20          HD13      ILE  20 173.827  -0.856  -5.513
  157    H    THR  21           HN       THR  21 173.635  -1.062  -9.669
  158    HA   THR  21           HA       THR  21 172.615   1.433 -10.716
  159    HB   THR  21           HB       THR  21 174.597   1.391  -9.250
  160    HG1  THR  21           1HG      THR  21 174.269   2.881 -11.239
  161   1HG2  THR  21          1HG2      THR  21 176.560   0.660 -11.200
  162   2HG2  THR  21          2HG2      THR  21 175.476  -0.694 -10.883
  163   3HG2  THR  21          3HG2      THR  21 176.339   0.074  -9.552
  164    H    GLN  22           HN       GLN  22 172.849  -1.484 -12.117
  165    HA   GLN  22           HA       GLN  22 174.038  -0.618 -14.630
  166   1HB   GLN  22          HB2       GLN  22 173.449  -3.174 -13.344
  167   2HB   GLN  22          HB1       GLN  22 173.009  -3.153 -15.044
  168   1HG   GLN  22          HG2       GLN  22 175.664  -2.061 -14.385
  169   2HG   GLN  22          HG1       GLN  22 175.449  -3.794 -14.143
  170   1HE2  GLN  22          1HE2      GLN  22 177.215  -3.465 -15.899
  171   2HE2  GLN  22          2HE2      GLN  22 176.650  -3.581 -17.527
  172    H    ASN  23           HN       ASN  23 171.680   0.761 -13.900
  173    HA   ASN  23           HA       ASN  23 169.575  -0.380 -15.562
  174   1HB   ASN  23          HB2       ASN  23 169.714   1.762 -13.491
  175   2HB   ASN  23          HB1       ASN  23 168.427   1.834 -14.686
  176   1HD2  ASN  23          HD21      ASN  23 169.971  -0.303 -12.369
  177   2HD2  ASN  23          HD22      ASN  23 168.545  -1.170 -11.937
  178    H    GLN  24           HN       GLN  24 168.784   0.575 -17.404
  179    HA   GLN  24           HA       GLN  24 170.515   1.881 -19.109
  180   1HB   GLN  24          HB2       GLN  24 167.589   1.406 -19.050
  181   2HB   GLN  24          HB1       GLN  24 168.161   2.643 -20.160
  182   1HG   GLN  24          HG2       GLN  24 169.734   0.210 -20.296
  183   2HG   GLN  24          HG1       GLN  24 168.027  -0.057 -20.642
  184   1HE2  GLN  24          1HE2      GLN  24 170.589   0.040 -22.284
  185   2HE2  GLN  24          2HE2      GLN  24 170.184   1.062 -23.617
  186    H    LYS  25           HN       LYS  25 167.563   3.664 -18.652
  187    HA   LYS  25           HA       LYS  25 169.087   5.964 -17.640
  188   1HB   LYS  25          HB2       LYS  25 166.838   6.207 -19.633
  189   2HB   LYS  25          HB1       LYS  25 167.986   7.444 -19.139
  190   1HG   LYS  25          HG2       LYS  25 168.912   6.902 -21.127
  191   2HG   LYS  25          HG1       LYS  25 169.711   5.681 -20.134
  192   1HD   LYS  25          HD2       LYS  25 168.923   4.252 -21.686
  193   2HD   LYS  25          HD1       LYS  25 167.416   4.392 -20.778
  194   1HE   LYS  25          HE2       LYS  25 167.005   6.445 -22.337
  195   2HE   LYS  25          HE1       LYS  25 168.199   5.658 -23.369
  196   1HZ   LYS  25          HZ1       LYS  25 165.511   4.741 -22.607
  197   2HZ   LYS  25          HZ2       LYS  25 166.694   3.597 -22.999
  198   3HZ   LYS  25          HZ3       LYS  25 166.242   4.769 -24.132
  199    H    ALA  26           HN       ALA  26 166.170   4.086 -17.655
  200    HA   ALA  26           HA       ALA  26 164.458   5.842 -16.287
  201   1HB   ALA  26          HB1       ALA  26 163.421   3.585 -15.490
  202   2HB   ALA  26          HB2       ALA  26 164.565   2.878 -16.630
  203   3HB   ALA  26          HB3       ALA  26 163.357   4.032 -17.195
  204    HA   PRO  27           HA       PRO  27 166.281   5.874 -12.246
  205   1HB   PRO  27          HB2       PRO  27 164.323   6.954 -10.834
  206   2HB   PRO  27          HB1       PRO  27 165.153   7.887 -12.095
  207   1HG   PRO  27          HG2       PRO  27 162.671   6.260 -12.321
  208   2HG   PRO  27          HG1       PRO  27 162.844   7.985 -12.705
  209   1HD   PRO  27          HD2       PRO  27 162.977   6.157 -14.633
  210   2HD   PRO  27          HD1       PRO  27 164.141   7.503 -14.618
  211    H    LEU  28           HN       LEU  28 165.871   5.143 -10.019
  212    HA   LEU  28           HA       LEU  28 164.770   2.473 -10.041
  213   1HB   LEU  28          HB2       LEU  28 166.839   2.769  -8.882
  214   2HB   LEU  28          HB1       LEU  28 166.201   4.115  -7.958
  215    HG   LEU  28           HG       LEU  28 164.932   2.708  -6.562
  216   1HD1  LEU  28          HD11      LEU  28 164.021   1.282  -8.365
  217   2HD1  LEU  28          HD12      LEU  28 164.537   0.366  -6.949
  218   3HD1  LEU  28          HD13      LEU  28 165.546   0.397  -8.395
  219   1HD2  LEU  28          HD21      LEU  28 167.688   1.769  -7.152
  220   2HD2  LEU  28          HD22      LEU  28 166.698   0.814  -6.048
  221   3HD2  LEU  28          HD23      LEU  28 167.031   2.509  -5.692
  222    H    CYS  29           HN       CYS  29 164.442   4.946  -7.561
  223    HA   CYS  29           HA       CYS  29 161.543   4.892  -7.753
  224   1HB   CYS  29          HB2       CYS  29 162.846   4.355  -5.084
  225   2HB   CYS  29          HB1       CYS  29 161.141   4.237  -5.502
  226    H    ASN  30           HN       ASN  30 163.440   6.848  -8.385
  227    HA   ASN  30           HA       ASN  30 164.289   8.744  -6.728
  228   1HB   ASN  30          HB2       ASN  30 163.594   8.673  -9.422
  229   2HB   ASN  30          HB1       ASN  30 162.697  10.046  -8.781
  230   1HD2  ASN  30          HD21      ASN  30 165.686   8.905  -9.846
  231   2HD2  ASN  30          HD22      ASN  30 166.640  10.281  -9.425
  232    H    GLY  31           HN       GLY  31 160.900   8.115  -7.364
  233   1HA   GLY  31          HA2       GLY  31 159.656  10.353  -6.394
  234   2HA   GLY  31          HA1       GLY  31 159.031   8.729  -6.167
  235    H    SER  32           HN       SER  32 161.522   8.075  -4.543
  236    HA   SER  32           HA       SER  32 160.812   9.569  -2.106
  237   1HB   SER  32          HB2       SER  32 161.511   6.639  -2.115
  238   2HB   SER  32          HB1       SER  32 160.815   7.589  -0.802
  239    HG   SER  32           HG       SER  32 159.548   6.964  -3.266
  240    H    MET  33           HN       MET  33 162.566  10.766  -1.661
  241    HA   MET  33           HA       MET  33 165.217   9.987  -2.327
  242   1HB   MET  33          HB2       MET  33 164.356  12.143  -0.400
  243   2HB   MET  33          HB1       MET  33 165.860  12.039  -1.289
  244   1HG   MET  33          HG2       MET  33 164.951  12.797  -3.223
  245   2HG   MET  33          HG1       MET  33 163.361  12.130  -2.862
  246   1HE   MET  33          HE1       MET  33 164.860  16.323  -2.149
  247   2HE   MET  33          HE2       MET  33 164.840  15.387  -3.643
  248   3HE   MET  33          HE3       MET  33 165.909  14.916  -2.322
  249    H    VAL  34           HN       VAL  34 166.924  10.249  -0.413
  250    HA   VAL  34           HA       VAL  34 166.044   9.088   2.083
  251    HB   VAL  34           HB       VAL  34 167.783   7.224   1.876
  252   1HG1  VAL  34          1HG1      VAL  34 165.264   6.990   1.822
  253   2HG1  VAL  34          2HG1      VAL  34 166.182   5.685   1.072
  254   3HG1  VAL  34          3HG1      VAL  34 165.403   6.906   0.066
  255   1HG2  VAL  34          1HG2      VAL  34 167.307   7.509  -1.074
  256   2HG2  VAL  34          2HG2      VAL  34 168.486   6.499  -0.237
  257   3HG2  VAL  34          3HG2      VAL  34 168.698   8.249  -0.283
  258    H    TRP  35           HN       TRP  35 167.535   9.396   3.744
  259    HA   TRP  35           HA       TRP  35 169.301  11.535   3.468
  260   1HB   TRP  35          HB2       TRP  35 169.226   9.378   5.574
  261   2HB   TRP  35          HB1       TRP  35 170.247  10.805   5.648
  262    HD1  TRP  35           HD1      TRP  35 167.373   9.707   7.259
  263    HE1  TRP  35           HE1      TRP  35 165.795  11.612   7.905
  264    HE3  TRP  35           HE3      TRP  35 169.190  13.366   4.185
  265    HZ2  TRP  35           HZ2      TRP  35 165.342  14.311   7.211
  266    HZ3  TRP  35           HZ3      TRP  35 168.124  15.583   4.239
  267    HH2  TRP  35           HH2      TRP  35 166.240  16.045   5.721
  268    H    SER  36           HN       SER  36 170.999  11.572   2.255
  269    HA   SER  36           HA       SER  36 172.455   9.718   1.000
  270   1HB   SER  36          HB2       SER  36 172.813  12.374   1.425
  271   2HB   SER  36          HB1       SER  36 174.195  11.721   2.303
  272    HG   SER  36           HG       SER  36 173.525  11.307  -0.421
  273    H    ILE  37           HN       ILE  37 174.328   8.446   1.354
  274    HA   ILE  37           HA       ILE  37 174.373   6.903   3.588
  275    HB   ILE  37           HB       ILE  37 175.844   6.998   1.249
  276   1HG1  ILE  37          2HG1      ILE  37 175.912   5.104   3.576
  277   2HG1  ILE  37          1HG1      ILE  37 174.848   5.046   2.174
  278   1HG2  ILE  37          1HG2      ILE  37 178.094   6.966   1.611
  279   2HG2  ILE  37          2HG2      ILE  37 177.923   6.618   3.329
  280   3HG2  ILE  37          3HG2      ILE  37 177.586   8.238   2.719
  281   1HD1  ILE  37          HD11      ILE  37 177.577   5.006   1.317
  282   2HD1  ILE  37          HD12      ILE  37 176.308   3.806   1.075
  283   3HD1  ILE  37          HD13      ILE  37 177.303   3.754   2.530
  284    H    ASN  38           HN       ASN  38 176.654   6.585   4.713
  285    HA   ASN  38           HA       ASN  38 177.776   8.998   5.816
  286   1HB   ASN  38          HB2       ASN  38 175.539   8.446   7.060
  287   2HB   ASN  38          HB1       ASN  38 176.495   7.186   7.835
  288   1HD2  ASN  38          HD21      ASN  38 176.419   8.091   9.853
  289   2HD2  ASN  38          HD22      ASN  38 177.242   9.554  10.263
  290    H    LEU  39           HN       LEU  39 179.705   8.108   5.057
  291    HA   LEU  39           HA       LEU  39 180.563   5.510   5.930
  292   1HB   LEU  39          HB2       LEU  39 181.656   7.640   4.174
  293   2HB   LEU  39          HB1       LEU  39 182.779   6.477   4.862
  294    HG   LEU  39           HG       LEU  39 180.663   4.943   3.884
  295   1HD1  LEU  39          HD11      LEU  39 180.025   5.693   1.844
  296   2HD1  LEU  39          HD12      LEU  39 181.509   6.613   1.590
  297   3HD1  LEU  39          HD13      LEU  39 180.252   7.241   2.658
  298   1HD2  LEU  39          HD21      LEU  39 183.203   4.620   3.942
  299   2HD2  LEU  39          HD22      LEU  39 183.203   5.442   2.380
  300   3HD2  LEU  39          HD23      LEU  39 182.307   3.936   2.586
  301    H    THR  40           HN       THR  40 180.097   6.413   8.132
  302    HA   THR  40           HA       THR  40 182.663   7.030   9.379
  303    HB   THR  40           HB       THR  40 181.778   9.219   9.281
  304    HG1  THR  40           1HG      THR  40 182.478   8.715  11.364
  305   1HG2  THR  40          1HG2      THR  40 179.638   9.697   9.055
  306   2HG2  THR  40          2HG2      THR  40 179.289   9.028  10.650
  307   3HG2  THR  40          3HG2      THR  40 179.255   7.984   9.229
  308    H    ALA  41           HN       ALA  41 182.832   5.080  10.366
  309    HA   ALA  41           HA       ALA  41 182.570   3.589  12.077
  310   1HB   ALA  41          HB1       ALA  41 180.058   4.911  13.011
  311   2HB   ALA  41          HB2       ALA  41 181.615   5.701  13.261
  312   3HB   ALA  41          HB3       ALA  41 181.317   4.103  13.946
  313    H    GLY  42           HN       GLY  42 179.275   4.530  11.043
  314   1HA   GLY  42          HA2       GLY  42 178.831   1.689  10.352
  315   2HA   GLY  42          HA1       GLY  42 177.594   2.687  11.099
  316    H    MET  43           HN       MET  43 179.424   2.099   8.171
  317    HA   MET  43           HA       MET  43 177.955   4.028   6.620
  318   1HB   MET  43          HB2       MET  43 179.148   2.972   4.683
  319   2HB   MET  43          HB1       MET  43 180.205   3.596   5.940
  320   1HG   MET  43          HG2       MET  43 180.501   1.339   6.817
  321   2HG   MET  43          HG1       MET  43 179.439   0.712   5.558
  322   1HE   MET  43          HE1       MET  43 180.106  -0.415   3.993
  323   2HE   MET  43          HE2       MET  43 181.771  -0.976   4.131
  324   3HE   MET  43          HE3       MET  43 181.281  -0.007   2.743
  325    H    TYR  44           HN       TYR  44 178.018   0.483   6.870
  326    HA   TYR  44           HA       TYR  44 176.081  -0.066   4.929
  327   1HB   TYR  44          HB2       TYR  44 176.656  -1.604   7.473
  328   2HB   TYR  44          HB1       TYR  44 175.793  -2.225   6.071
  329    HD1  TYR  44           HD1      TYR  44 176.971  -3.003   4.141
  330    HD2  TYR  44           HD2      TYR  44 179.086  -1.142   7.330
  331    HE1  TYR  44           HE1      TYR  44 179.096  -3.774   3.174
  332    HE2  TYR  44           HE2      TYR  44 181.217  -1.906   6.370
  333    HH   TYR  44           HH       TYR  44 181.811  -4.056   4.687
  334    H    CYS  45           HN       CYS  45 175.703   0.212   8.457
  335    HA   CYS  45           HA       CYS  45 172.905   0.003   8.478
  336   1HB   CYS  45          HB2       CYS  45 174.665  -0.077  10.426
  337   2HB   CYS  45          HB1       CYS  45 174.336   1.647  10.528
  338    H    ALA  46           HN       ALA  46 174.944   2.569   7.495
  339    HA   ALA  46           HA       ALA  46 173.117   4.712   8.019
  340   1HB   ALA  46          HB1       ALA  46 175.048   5.787   7.696
  341   2HB   ALA  46          HB2       ALA  46 174.771   5.565   5.967
  342   3HB   ALA  46          HB3       ALA  46 175.762   4.409   6.858
  343    H    ALA  47           HN       ALA  47 174.137   3.006   5.068
  344    HA   ALA  47           HA       ALA  47 172.236   4.222   3.374
  345   1HB   ALA  47          HB1       ALA  47 173.881   3.323   2.106
  346   2HB   ALA  47          HB2       ALA  47 172.758   1.965   2.047
  347   3HB   ALA  47          HB3       ALA  47 174.109   1.945   3.181
  348    H    LEU  48           HN       LEU  48 172.059   1.480   5.524
  349    HA   LEU  48           HA       LEU  48 169.663   0.409   4.363
  350   1HB   LEU  48          HB2       LEU  48 171.173  -1.085   5.484
  351   2HB   LEU  48          HB1       LEU  48 171.121  -0.124   6.947
  352    HG   LEU  48           HG       LEU  48 168.758  -0.730   7.265
  353   1HD1  LEU  48          HD11      LEU  48 168.796  -1.362   4.590
  354   2HD1  LEU  48          HD12      LEU  48 167.512  -1.762   5.730
  355   3HD1  LEU  48          HD13      LEU  48 168.772  -2.942   5.372
  356   1HD2  LEU  48          HD21      LEU  48 170.537  -3.134   6.884
  357   2HD2  LEU  48          HD22      LEU  48 169.131  -3.018   7.942
  358   3HD2  LEU  48          HD23      LEU  48 170.572  -2.059   8.282
  359    H    GLU  49           HN       GLU  49 170.515   2.305   7.221
  360    HA   GLU  49           HA       GLU  49 167.947   2.444   8.292
  361   1HB   GLU  49          HB2       GLU  49 168.751   4.185   9.716
  362   2HB   GLU  49          HB1       GLU  49 170.056   3.029   9.500
  363   1HG   GLU  49          HG2       GLU  49 171.234   4.468   8.070
  364   2HG   GLU  49          HG1       GLU  49 169.840   5.521   7.847
  365    H    SER  50           HN       SER  50 169.566   4.406   5.866
  366    HA   SER  50           HA       SER  50 167.401   6.318   5.755
  367   1HB   SER  50          HB2       SER  50 168.784   6.952   3.581
  368   2HB   SER  50          HB1       SER  50 169.356   7.395   5.189
  369    HG   SER  50           HG       SER  50 171.006   6.138   4.902
  370    H    LEU  51           HN       LEU  51 168.475   3.487   3.979
  371    HA   LEU  51           HA       LEU  51 166.800   3.817   1.725
  372   1HB   LEU  51          HB2       LEU  51 168.324   1.556   2.926
  373   2HB   LEU  51          HB1       LEU  51 167.112   1.189   1.714
  374    HG   LEU  51           HG       LEU  51 169.259   3.219   1.181
  375   1HD1  LEU  51          HD11      LEU  51 170.046   0.816   1.913
  376   2HD1  LEU  51          HD12      LEU  51 170.795   1.650   0.552
  377   3HD1  LEU  51          HD13      LEU  51 169.576   0.410   0.262
  378   1HD2  LEU  51          HD21      LEU  51 167.162   1.820  -0.342
  379   2HD2  LEU  51          HD22      LEU  51 168.723   1.973  -1.148
  380   3HD2  LEU  51          HD23      LEU  51 167.874   3.414  -0.587
  381    H    ILE  52           HN       ILE  52 166.255   2.501   4.917
  382    HA   ILE  52           HA       ILE  52 163.992   0.951   4.454
  383    HB   ILE  52           HB       ILE  52 165.220   1.094   6.623
  384   1HG1  ILE  52          2HG1      ILE  52 162.421   1.665   7.385
  385   2HG1  ILE  52          1HG1      ILE  52 162.633   0.430   6.148
  386   1HG2  ILE  52          1HG2      ILE  52 165.260   2.921   7.925
  387   2HG2  ILE  52          2HG2      ILE  52 163.573   3.316   7.597
  388   3HG2  ILE  52          3HG2      ILE  52 164.826   3.776   6.444
  389   1HD1  ILE  52          HD11      ILE  52 164.003  -0.878   7.605
  390   2HD1  ILE  52          HD12      ILE  52 162.519  -0.452   8.458
  391   3HD1  ILE  52          HD13      ILE  52 164.019   0.405   8.815
  392    H    ASN  53           HN       ASN  53 164.351   4.409   4.533
  393    HA   ASN  53           HA       ASN  53 161.717   5.193   5.017
  394   1HB   ASN  53          HB2       ASN  53 164.087   6.414   3.713
  395   2HB   ASN  53          HB1       ASN  53 162.524   7.135   3.339
  396   1HD2  ASN  53          HD21      ASN  53 163.585   5.627   6.343
  397   2HD2  ASN  53          HD22      ASN  53 163.433   7.045   7.319
  398    H    VAL  54           HN       VAL  54 163.169   3.782   2.204
  399    HA   VAL  54           HA       VAL  54 161.350   4.618   0.237
  400    HB   VAL  54           HB       VAL  54 162.757   1.947   0.322
  401   1HG1  VAL  54          1HG1      VAL  54 162.742   2.352  -2.197
  402   2HG1  VAL  54          2HG1      VAL  54 161.542   3.602  -1.870
  403   3HG1  VAL  54          3HG1      VAL  54 161.207   1.925  -1.440
  404   1HG2  VAL  54          1HG2      VAL  54 164.032   4.037  -1.248
  405   2HG2  VAL  54          2HG2      VAL  54 164.728   2.917  -0.077
  406   3HG2  VAL  54          3HG2      VAL  54 163.982   4.417   0.474
  407    H    SER  55           HN       SER  55 159.418   3.827  -0.477
  408    HA   SER  55           HA       SER  55 158.304   1.405   0.660
  409   1HB   SER  55          HB2       SER  55 156.478   3.726   0.914
  410   2HB   SER  55          HB1       SER  55 156.659   2.312   1.952
  411    HG   SER  55           HG       SER  55 158.117   4.714   1.938
  412    H    GLY  56           HN       GLY  56 157.338   0.352  -0.939
  413   1HA   GLY  56          HA2       GLY  56 155.617   0.200  -2.600
  414   2HA   GLY  56          HA1       GLY  56 155.878   1.897  -2.974
  415    H    CYS  57           HN       CYS  57 158.573  -0.269  -2.558
  416    HA   CYS  57           HA       CYS  57 158.884  -0.567  -5.447
  417   1HB   CYS  57          HB2       CYS  57 160.481   1.154  -3.712
  418   2HB   CYS  57          HB1       CYS  57 161.457  -0.024  -4.574
  419    H    SER  58           HN       SER  58 160.593  -1.163  -2.381
  420    HA   SER  58           HA       SER  58 161.547  -3.022  -1.498
  421   1HB   SER  58          HB2       SER  58 159.025  -3.737  -2.235
  422   2HB   SER  58          HB1       SER  58 159.984  -4.932  -3.112
  423    HG   SER  58           HG       SER  58 159.674  -5.813  -1.139
  424    H    ALA  59           HN       ALA  59 162.416  -1.941  -4.216
  425    HA   ALA  59           HA       ALA  59 163.516  -4.267  -5.533
  426   1HB   ALA  59          HB1       ALA  59 164.481  -1.557  -6.233
  427   2HB   ALA  59          HB2       ALA  59 162.772  -1.896  -6.506
  428   3HB   ALA  59          HB3       ALA  59 164.004  -2.896  -7.277
  429    H    ILE  60           HN       ILE  60 164.633  -1.636  -3.492
  430    HA   ILE  60           HA       ILE  60 167.387  -2.402  -3.600
  431    HB   ILE  60           HB       ILE  60 167.613  -0.714  -1.784
  432   1HG1  ILE  60          2HG1      ILE  60 165.231   0.695  -1.939
  433   2HG1  ILE  60          1HG1      ILE  60 164.717  -0.982  -1.799
  434   1HG2  ILE  60          1HG2      ILE  60 167.627  -0.285  -4.323
  435   2HG2  ILE  60          2HG2      ILE  60 167.508   1.095  -3.232
  436   3HG2  ILE  60          3HG2      ILE  60 166.065   0.482  -4.039
  437   1HD1  ILE  60          HD11      ILE  60 165.216   0.580   0.299
  438   2HD1  ILE  60          HD12      ILE  60 166.823  -0.107   0.061
  439   3HD1  ILE  60          HD13      ILE  60 165.439  -1.169   0.318
  440    H    GLU  61           HN       GLU  61 164.813  -3.845  -2.136
  441    HA   GLU  61           HA       GLU  61 165.386  -4.287   0.491
  442   1HB   GLU  61          HB2       GLU  61 164.066  -5.851  -1.634
  443   2HB   GLU  61          HB1       GLU  61 164.590  -6.776  -0.233
  444   1HG   GLU  61          HG2       GLU  61 163.379  -4.652   0.949
  445   2HG   GLU  61          HG1       GLU  61 162.412  -4.842  -0.513
  446    H    LYS  62           HN       LYS  62 166.928  -5.789  -2.288
  447    HA   LYS  62           HA       LYS  62 168.408  -7.752  -0.957
  448   1HB   LYS  62          HB2       LYS  62 168.639  -6.327  -3.555
  449   2HB   LYS  62          HB1       LYS  62 170.067  -7.175  -2.981
  450   1HG   LYS  62          HG2       LYS  62 168.859  -9.254  -2.892
  451   2HG   LYS  62          HG1       LYS  62 167.353  -8.435  -3.308
  452   1HD   LYS  62          HD2       LYS  62 168.756  -7.655  -5.401
  453   2HD   LYS  62          HD1       LYS  62 169.696  -9.100  -5.022
  454   1HE   LYS  62          HE2       LYS  62 167.911 -10.522  -5.423
  455   2HE   LYS  62          HE1       LYS  62 166.714  -9.249  -5.187
  456   1HZ   LYS  62          HZ1       LYS  62 168.605  -9.284  -7.470
  457   2HZ   LYS  62          HZ2       LYS  62 167.231  -8.316  -7.279
  458   3HZ   LYS  62          HZ3       LYS  62 167.064  -9.979  -7.539
  459    H    THR  63           HN       THR  63 169.406  -4.473  -1.924
  460    HA   THR  63           HA       THR  63 171.926  -4.546  -0.676
  461    HB   THR  63           HB       THR  63 170.130  -2.234  -1.433
  462    HG1  THR  63           1HG      THR  63 172.449  -3.335  -2.636
  463   1HG2  THR  63          1HG2      THR  63 171.664  -1.461   0.291
  464   2HG2  THR  63          2HG2      THR  63 172.070  -0.783  -1.287
  465   3HG2  THR  63          3HG2      THR  63 173.025  -2.110  -0.623
  466    H    GLN  64           HN       GLN  64 168.725  -3.754   0.500
  467    HA   GLN  64           HA       GLN  64 169.396  -2.456   2.880
  468   1HB   GLN  64          HB2       GLN  64 167.039  -3.971   1.888
  469   2HB   GLN  64          HB1       GLN  64 167.146  -3.707   3.623
  470   1HG   GLN  64          HG2       GLN  64 167.385  -1.277   3.181
  471   2HG   GLN  64          HG1       GLN  64 167.109  -1.606   1.471
  472   1HE2  GLN  64          1HE2      GLN  64 165.530   0.063   3.145
  473   2HE2  GLN  64          2HE2      GLN  64 163.945  -0.620   3.213
  474    H    ARG  65           HN       ARG  65 168.399  -5.873   2.577
  475    HA   ARG  65           HA       ARG  65 169.117  -6.670   5.105
  476   1HB   ARG  65          HB2       ARG  65 169.080  -8.257   2.541
  477   2HB   ARG  65          HB1       ARG  65 169.246  -8.977   4.136
  478   1HG   ARG  65          HG2       ARG  65 166.919  -7.216   3.463
  479   2HG   ARG  65          HG1       ARG  65 166.926  -8.934   3.056
  480   1HD   ARG  65          HD2       ARG  65 167.196  -9.537   5.365
  481   2HD   ARG  65          HD1       ARG  65 167.403  -7.848   5.827
  482    HE   ARG  65           HE       ARG  65 165.130  -7.606   5.814
  483   1HH1  ARG  65          HH11      ARG  65 165.954 -10.523   4.085
  484   2HH1  ARG  65          HH12      ARG  65 164.310 -11.041   3.923
  485   1HH2  ARG  65          HH21      ARG  65 162.966  -8.286   5.603
  486   2HH2  ARG  65          HH22      ARG  65 162.613  -9.772   4.785
  487    H    MET  66           HN       MET  66 171.034  -6.742   2.130
  488    HA   MET  66           HA       MET  66 173.324  -7.982   3.075
  489   1HB   MET  66          HB2       MET  66 172.639  -6.192   0.844
  490   2HB   MET  66          HB1       MET  66 174.332  -6.144   1.314
  491   1HG   MET  66          HG2       MET  66 173.686  -8.849   1.239
  492   2HG   MET  66          HG1       MET  66 172.881  -8.146  -0.162
  493   1HE   MET  66          HE1       MET  66 176.795  -9.797  -0.511
  494   2HE   MET  66          HE2       MET  66 175.134 -10.371  -0.374
  495   3HE   MET  66          HE3       MET  66 175.982  -9.780   1.054
  496    H    LEU  67           HN       LEU  67 172.300  -4.640   3.361
  497    HA   LEU  67           HA       LEU  67 174.754  -3.702   4.485
  498   1HB   LEU  67          HB2       LEU  67 171.995  -2.572   4.172
  499   2HB   LEU  67          HB1       LEU  67 173.193  -1.741   5.141
  500    HG   LEU  67           HG       LEU  67 173.383  -2.366   2.197
  501   1HD1  LEU  67          HD11      LEU  67 173.168   0.244   3.689
  502   2HD1  LEU  67          HD12      LEU  67 171.898  -0.513   2.727
  503   3HD1  LEU  67          HD13      LEU  67 173.371   0.065   1.947
  504   1HD2  LEU  67          HD21      LEU  67 175.438  -1.760   4.170
  505   2HD2  LEU  67          HD22      LEU  67 175.423  -0.631   2.815
  506   3HD2  LEU  67          HD23      LEU  67 175.592  -2.362   2.520
  507    H    SER  68           HN       SER  68 171.654  -4.798   5.755
  508    HA   SER  68           HA       SER  68 171.973  -4.041   8.419
  509   1HB   SER  68          HB2       SER  68 169.876  -4.952   7.328
  510   2HB   SER  68          HB1       SER  68 170.582  -6.558   7.501
  511    HG   SER  68           HG       SER  68 169.132  -5.525   9.252
  512    H    GLY  69           HN       GLY  69 172.999  -6.952   6.731
  513   1HA   GLY  69          HA2       GLY  69 173.840  -8.529   8.796
  514   2HA   GLY  69          HA1       GLY  69 174.617  -8.493   7.226
  515    H    PHE  70           HN       PHE  70 175.310  -5.581   7.696
  516    HA   PHE  70           HA       PHE  70 177.601  -6.086   9.478
  517   1HB   PHE  70          HB2       PHE  70 177.354  -4.535   6.924
  518   2HB   PHE  70          HB1       PHE  70 178.616  -4.132   8.083
  519    HD1  PHE  70           HD1      PHE  70 180.092  -6.121   8.884
  520    HD2  PHE  70           HD2      PHE  70 177.752  -6.149   5.330
  521    HE1  PHE  70           HE1      PHE  70 181.506  -7.917   7.972
  522    HE2  PHE  70           HE2      PHE  70 179.160  -7.946   4.412
  523    HZ   PHE  70           HZ       PHE  70 181.040  -8.832   5.733
  524    H    CYS  71           HN       CYS  71 174.816  -4.168   9.021
  525    HA   CYS  71           HA       CYS  71 175.526  -1.720  10.094
  526   1HB   CYS  71          HB2       CYS  71 173.373  -1.648   9.335
  527   2HB   CYS  71          HB1       CYS  71 173.012  -3.276   9.883
  528    HA   PRO  72           HA       PRO  72 176.605  -3.191  14.228
  529   1HB   PRO  72          HB2       PRO  72 177.911  -0.978  15.018
  530   2HB   PRO  72          HB1       PRO  72 178.633  -2.132  13.891
  531   1HG   PRO  72          HG2       PRO  72 177.297   0.487  13.324
  532   2HG   PRO  72          HG1       PRO  72 178.787  -0.182  12.632
  533   1HD   PRO  72          HD2       PRO  72 176.365  -0.267  11.368
  534   2HD   PRO  72          HD1       PRO  72 177.648  -1.465  11.110
  535    H    HIS  73           HN       HIS  73 174.913  -0.269  13.321
  536    HA   HIS  73           HA       HIS  73 173.939   0.149  16.040
  537   1HB   HIS  73          HB2       HIS  73 174.652   1.925  14.113
  538   2HB   HIS  73          HB1       HIS  73 172.913   1.850  13.852
  539    HD1  HIS  73           HD1      HIS  73 174.875   1.883  17.113
  540    HD2  HIS  73           HD2      HIS  73 171.958   4.053  15.101
  541    HE1  HIS  73           HE1      HIS  73 174.164   3.692  18.708
  542    HE2  HIS  73           HE2      HIS  73 172.336   4.938  17.501
  543    H    LYS  74           HN       LYS  74 171.413   1.329  15.157
  544    HA   LYS  74           HA       LYS  74 169.945  -1.168  14.656
  545   1HB   LYS  74          HB2       LYS  74 169.659   0.601  16.717
  546   2HB   LYS  74          HB1       LYS  74 168.431   1.175  15.597
  547   1HG   LYS  74          HG2       LYS  74 167.546  -0.429  17.225
  548   2HG   LYS  74          HG1       LYS  74 167.387  -1.003  15.564
  549   1HD   LYS  74          HD2       LYS  74 169.104  -2.569  15.817
  550   2HD   LYS  74          HD1       LYS  74 169.746  -1.768  17.253
  551   1HE   LYS  74          HE2       LYS  74 168.271  -2.777  18.637
  552   2HE   LYS  74          HE1       LYS  74 166.966  -2.728  17.452
  553   1HZ   LYS  74          HZ1       LYS  74 169.262  -4.577  17.188
  554   2HZ   LYS  74          HZ2       LYS  74 167.766  -4.648  16.403
  555   3HZ   LYS  74          HZ3       LYS  74 167.869  -4.992  18.056
  556    H    VAL  75           HN       VAL  75 167.704  -0.707  13.621
  557    HA   VAL  75           HA       VAL  75 167.687   1.431  11.679
  558    HB   VAL  75           HB       VAL  75 167.748  -1.448  10.755
  559   1HG1  VAL  75          1HG1      VAL  75 166.493   0.790   9.594
  560   2HG1  VAL  75          2HG1      VAL  75 166.755  -0.800   8.877
  561   3HG1  VAL  75          3HG1      VAL  75 167.947   0.479   8.646
  562   1HG2  VAL  75          1HG2      VAL  75 169.968  -0.697  11.281
  563   2HG2  VAL  75          2HG2      VAL  75 169.715   0.808  10.397
  564   3HG2  VAL  75          3HG2      VAL  75 169.785  -0.724   9.527
  565    H    SER  76           HN       SER  76 165.745   2.049  12.637
  566    HA   SER  76           HA       SER  76 163.470   0.666  11.801
  567   1HB   SER  76          HB2       SER  76 162.761   1.313  14.353
  568   2HB   SER  76          HB1       SER  76 163.113  -0.254  13.680
  569    HG   SER  76           HG       SER  76 165.074  -0.267  14.581
  570    H    ALA  77           HN       ALA  77 162.512   1.997  10.895
  571    HA   ALA  77           HA       ALA  77 162.733   4.782  10.886
  572   1HB   ALA  77          HB1       ALA  77 160.280   3.306   9.964
  573   2HB   ALA  77          HB2       ALA  77 161.790   3.320   9.052
  574   3HB   ALA  77          HB3       ALA  77 160.930   4.829   9.359
  575    H    GLY  78           HN       GLY  78 160.185   5.844  10.926
  576   1HA   GLY  78          HA2       GLY  78 158.818   6.941  12.407
  577   2HA   GLY  78          HA1       GLY  78 158.490   5.322  12.993
  578    H    GLN  79           HN       GLN  79 161.644   6.824  13.194
  579    HA   GLN  79           HA       GLN  79 161.258   7.534  15.987
  580   1HB   GLN  79          HB2       GLN  79 161.889   5.128  15.996
  581   2HB   GLN  79          HB1       GLN  79 163.379   5.544  15.160
  582   1HG   GLN  79          HG2       GLN  79 163.482   7.217  17.296
  583   2HG   GLN  79          HG1       GLN  79 162.659   5.818  17.983
  584   1HE2  GLN  79          1HE2      GLN  79 163.716   3.780  17.910
  585   2HE2  GLN  79          2HE2      GLN  79 165.439   3.685  17.810
  586    H    PHE  80           HN       PHE  80 161.635   9.287  13.967
  587    HA   PHE  80           HA       PHE  80 164.429   9.909  13.630
  588   1HB   PHE  80          HB2       PHE  80 163.513  11.975  12.496
  589   2HB   PHE  80          HB1       PHE  80 163.011  10.443  11.788
  590    HD1  PHE  80           HD1      PHE  80 160.792  10.157  11.278
  591    HD2  PHE  80           HD2      PHE  80 161.867  12.914  14.336
  592    HE1  PHE  80           HE1      PHE  80 158.435  10.826  11.499
  593    HE2  PHE  80           HE2      PHE  80 159.512  13.587  14.563
  594    HZ   PHE  80           HZ       PHE  80 157.792  12.542  13.144
  595    H    SER  81           HN       SER  81 164.820  12.481  13.917
  596    HA   SER  81           HA       SER  81 164.361  12.963  16.779
  597   1HB   SER  81          HB2       SER  81 166.730  12.863  15.536
  598   2HB   SER  81          HB1       SER  81 166.361  14.566  15.265
  599    HG   SER  81           HG       SER  81 166.216  13.338  17.813
  600    H    SER  82           HN       SER  82 164.025  14.364  13.587
  601    HA   SER  82           HA       SER  82 161.924  16.064  14.339
  602   1HB   SER  82          HB2       SER  82 162.880  18.204  14.455
  603   2HB   SER  82          HB1       SER  82 163.991  17.210  15.397
  604    HG   SER  82           HG       SER  82 164.306  18.189  12.764
  605    H    LEU  83           HN       LEU  83 162.527  14.223  12.274
  606    HA   LEU  83           HA       LEU  83 162.284  13.945  10.030
  607   1HB   LEU  83          HB2       LEU  83 161.222  16.760  10.246
  608   2HB   LEU  83          HB1       LEU  83 161.119  15.782   8.795
  609    HG   LEU  83           HG       LEU  83 159.849  14.083  10.240
  610   1HD1  LEU  83          HD11      LEU  83 158.602  15.228  12.119
  611   2HD1  LEU  83          HD12      LEU  83 159.824  16.496  12.031
  612   3HD1  LEU  83          HD13      LEU  83 160.295  14.843  12.427
  613   1HD2  LEU  83          HD21      LEU  83 157.837  14.999   9.585
  614   2HD2  LEU  83          HD22      LEU  83 158.972  15.830   8.521
  615   3HD2  LEU  83          HD23      LEU  83 158.346  16.647   9.953
  616    H    HIS  84           HN       HIS  84 164.815  14.888  11.052
  617    HA   HIS  84           HA       HIS  84 166.071  15.539   8.589
  618   1HB   HIS  84          HB2       HIS  84 165.520  17.725  10.531
  619   2HB   HIS  84          HB1       HIS  84 167.104  17.708   9.764
  620    HD1  HIS  84           HD1      HIS  84 163.631  18.679   9.205
  621    HD2  HIS  84           HD2      HIS  84 166.960  17.859   6.858
  622    HE1  HIS  84           HE1      HIS  84 163.108  19.637   6.940
  623    HE2  HIS  84           HE2      HIS  84 165.173  19.206   5.561
  624    H    VAL  85           HN       VAL  85 166.634  13.413   9.951
  625    HA   VAL  85           HA       VAL  85 168.486  13.649  12.058
  626    HB   VAL  85           HB       VAL  85 169.092  11.270  11.348
  627   1HG1  VAL  85          1HG1      VAL  85 166.441  12.217  12.306
  628   2HG1  VAL  85          2HG1      VAL  85 167.707  11.348  13.174
  629   3HG1  VAL  85          3HG1      VAL  85 166.683  10.494  12.019
  630   1HG2  VAL  85          1HG2      VAL  85 166.585  11.278   9.759
  631   2HG2  VAL  85          2HG2      VAL  85 167.975  10.196   9.669
  632   3HG2  VAL  85          3HG2      VAL  85 168.075  11.820   8.987
  633    H    ARG  86           HN       ARG  86 168.800  13.725   8.586
  634    HA   ARG  86           HA       ARG  86 171.725  13.942   8.889
  635   1HB   ARG  86          HB2       ARG  86 170.049  12.502   6.928
  636   2HB   ARG  86          HB1       ARG  86 171.420  13.372   6.254
  637   1HG   ARG  86          HG2       ARG  86 171.560  11.311   8.446
  638   2HG   ARG  86          HG1       ARG  86 171.967  11.046   6.749
  639   1HD   ARG  86          HD2       ARG  86 173.995  11.938   7.003
  640   2HD   ARG  86          HD1       ARG  86 173.352  13.342   7.854
  641    HE   ARG  86           HE       ARG  86 174.080  12.390   9.783
  642   1HH1  ARG  86          HH11      ARG  86 173.520   9.835   7.472
  643   2HH1  ARG  86          HH12      ARG  86 174.068   8.583   8.536
  644   1HH2  ARG  86          HH21      ARG  86 174.801  10.745  11.183
  645   2HH2  ARG  86          HH22      ARG  86 174.794   9.099  10.643
  646    H    ASP  87           HN       ASP  87 172.499  15.000   6.573
  647    HA   ASP  87           HA       ASP  87 171.769  17.723   6.815
  648   1HB   ASP  87          HB2       ASP  87 173.467  16.193   4.866
  649   2HB   ASP  87          HB1       ASP  87 173.133  17.905   4.625
  650    H    THR  88           HN       THR  88 171.762  16.129   3.676
  651    HA   THR  88           HA       THR  88 169.003  17.067   3.266
  652    HB   THR  88           HB       THR  88 170.118  18.611   1.971
  653    HG1  THR  88           1HG      THR  88 170.015  16.476   0.121
  654   1HG2  THR  88          1HG2      THR  88 172.109  16.518   1.133
  655   2HG2  THR  88          2HG2      THR  88 172.389  17.806   2.304
  656   3HG2  THR  88          3HG2      THR  88 172.090  18.202   0.612
  657    H    LYS  89           HN       LYS  89 167.853  15.965   1.525
  658    HA   LYS  89           HA       LYS  89 168.478  13.111   1.543
  659   1HB   LYS  89          HB2       LYS  89 166.032  14.743   1.213
  660   2HB   LYS  89          HB1       LYS  89 166.097  13.265   0.265
  661   1HG   LYS  89          HG2       LYS  89 165.646  12.012   2.037
  662   2HG   LYS  89          HG1       LYS  89 166.910  12.789   2.992
  663   1HD   LYS  89          HD2       LYS  89 165.436  14.556   3.635
  664   2HD   LYS  89          HD1       LYS  89 164.200  14.011   2.500
  665   1HE   LYS  89          HE2       LYS  89 163.689  12.122   3.785
  666   2HE   LYS  89          HE1       LYS  89 165.185  12.240   4.711
  667   1HZ   LYS  89          HZ1       LYS  89 163.808  13.151   6.222
  668   2HZ   LYS  89          HZ2       LYS  89 162.663  13.635   5.076
  669   3HZ   LYS  89          HZ3       LYS  89 164.056  14.562   5.321
  670    H    ILE  90           HN       ILE  90 168.711  11.878  -0.318
  671    HA   ILE  90           HA       ILE  90 168.963  13.392  -2.833
  672    HB   ILE  90           HB       ILE  90 170.846  12.032  -3.500
  673   1HG1  ILE  90          2HG1      ILE  90 171.425  10.811  -0.917
  674   2HG1  ILE  90          1HG1      ILE  90 169.921  10.212  -1.607
  675   1HG2  ILE  90          1HG2      ILE  90 172.381  13.250  -2.381
  676   2HG2  ILE  90          2HG2      ILE  90 171.745  12.802  -0.798
  677   3HG2  ILE  90          3HG2      ILE  90 170.946  14.056  -1.746
  678   1HD1  ILE  90          HD11      ILE  90 172.337   9.177  -2.144
  679   2HD1  ILE  90          HD12      ILE  90 172.203  10.347  -3.457
  680   3HD1  ILE  90          HD13      ILE  90 170.969   9.103  -3.255
  681    H    GLU  91           HN       GLU  91 168.692  12.102  -4.788
  682    HA   GLU  91           HA       GLU  91 166.364  10.585  -4.775
  683   1HB   GLU  91          HB2       GLU  91 168.473  10.309  -6.901
  684   2HB   GLU  91          HB1       GLU  91 166.729  10.252  -7.070
  685   1HG   GLU  91          HG2       GLU  91 166.722  12.692  -6.384
  686   2HG   GLU  91          HG1       GLU  91 168.468  12.650  -6.628
  687    H    VAL  92           HN       VAL  92 165.950   8.521  -4.274
  688    HA   VAL  92           HA       VAL  92 167.679   6.791  -3.077
  689    HB   VAL  92           HB       VAL  92 166.055   4.983  -4.187
  690   1HG1  VAL  92          1HG1      VAL  92 166.027   5.159  -1.888
  691   2HG1  VAL  92          2HG1      VAL  92 164.396   5.671  -2.324
  692   3HG1  VAL  92          3HG1      VAL  92 165.622   6.875  -1.924
  693   1HG2  VAL  92          1HG2      VAL  92 165.046   6.596  -5.734
  694   2HG2  VAL  92          2HG2      VAL  92 164.477   7.538  -4.356
  695   3HG2  VAL  92          3HG2      VAL  92 163.866   5.907  -4.620
  696    H    ALA  93           HN       ALA  93 167.101   7.162  -6.540
  697    HA   ALA  93           HA       ALA  93 168.504   4.878  -7.407
  698   1HB   ALA  93          HB1       ALA  93 167.691   5.614  -9.344
  699   2HB   ALA  93          HB2       ALA  93 168.873   6.922  -9.324
  700   3HB   ALA  93          HB3       ALA  93 167.278   7.163  -8.612
  701    H    GLN  94           HN       GLN  94 169.552   8.272  -7.164
  702    HA   GLN  94           HA       GLN  94 172.253   7.826  -7.744
  703   1HB   GLN  94          HB2       GLN  94 170.645  10.027  -7.121
  704   2HB   GLN  94          HB1       GLN  94 171.856   9.986  -5.845
  705   1HG   GLN  94          HG2       GLN  94 172.439   9.973  -8.792
  706   2HG   GLN  94          HG1       GLN  94 172.519  11.387  -7.742
  707   1HE2  GLN  94          1HE2      GLN  94 173.929   8.256  -8.434
  708   2HE2  GLN  94          2HE2      GLN  94 175.443   8.549  -7.660
  709    H    PHE  95           HN       PHE  95 170.358   7.471  -4.862
  710    HA   PHE  95           HA       PHE  95 172.430   7.355  -2.961
  711   1HB   PHE  95          HB2       PHE  95 169.913   7.553  -2.555
  712   2HB   PHE  95          HB1       PHE  95 169.844   5.812  -2.808
  713    HD1  PHE  95           HD1      PHE  95 170.763   4.282  -1.180
  714    HD2  PHE  95           HD2      PHE  95 170.982   8.491  -0.611
  715    HE1  PHE  95           HE1      PHE  95 171.364   3.928   1.180
  716    HE2  PHE  95           HE2      PHE  95 171.581   8.145   1.743
  717    HZ   PHE  95           HZ       PHE  95 171.775   5.867   2.644
  718    H    VAL  96           HN       VAL  96 170.905   4.956  -5.018
  719    HA   VAL  96           HA       VAL  96 172.184   2.669  -3.964
  720    HB   VAL  96           HB       VAL  96 171.284   3.057  -6.824
  721   1HG1  VAL  96          1HG1      VAL  96 172.642   0.991  -5.900
  722   2HG1  VAL  96          2HG1      VAL  96 171.323   0.788  -7.052
  723   3HG1  VAL  96          3HG1      VAL  96 171.046   0.499  -5.335
  724   1HG2  VAL  96          1HG2      VAL  96 169.261   3.475  -5.950
  725   2HG2  VAL  96          2HG2      VAL  96 169.731   2.911  -4.346
  726   3HG2  VAL  96          3HG2      VAL  96 169.233   1.751  -5.578
  727    H    LYS  97           HN       LYS  97 172.881   4.672  -6.809
  728    HA   LYS  97           HA       LYS  97 175.232   3.450  -7.639
  729   1HB   LYS  97          HB2       LYS  97 175.072   6.433  -7.744
  730   2HB   LYS  97          HB1       LYS  97 175.625   5.304  -8.970
  731   1HG   LYS  97          HG2       LYS  97 172.808   6.028  -8.239
  732   2HG   LYS  97          HG1       LYS  97 173.627   6.216  -9.789
  733   1HD   LYS  97          HD2       LYS  97 173.844   3.548  -9.437
  734   2HD   LYS  97          HD1       LYS  97 172.319   3.858  -8.605
  735   1HE   LYS  97          HE2       LYS  97 172.035   3.301 -11.005
  736   2HE   LYS  97          HE1       LYS  97 171.391   4.883 -10.571
  737   1HZ   LYS  97          HZ1       LYS  97 174.146   4.860 -11.478
  738   2HZ   LYS  97          HZ2       LYS  97 172.894   5.937 -11.843
  739   3HZ   LYS  97          HZ3       LYS  97 172.996   4.456 -12.652
  740    H    ASP  98           HN       ASP  98 174.757   5.938  -5.154
  741    HA   ASP  98           HA       ASP  98 177.495   6.308  -4.624
  742   1HB   ASP  98          HB2       ASP  98 174.977   7.127  -3.321
  743   2HB   ASP  98          HB1       ASP  98 176.421   7.122  -2.312
  744    H    LEU  99           HN       LEU  99 175.137   4.189  -3.452
  745    HA   LEU  99           HA       LEU  99 176.461   3.133  -1.222
  746   1HB   LEU  99          HB2       LEU  99 174.334   2.413  -1.243
  747   2HB   LEU  99          HB1       LEU  99 174.238   2.645  -2.982
  748    HG   LEU  99           HG       LEU  99 175.676   0.316  -2.831
  749   1HD1  LEU  99          HD11      LEU  99 173.655   0.211  -0.599
  750   2HD1  LEU  99          HD12      LEU  99 175.404   0.269  -0.377
  751   3HD1  LEU  99          HD13      LEU  99 174.662  -1.115  -1.180
  752   1HD2  LEU  99          HD21      LEU  99 173.555  -0.803  -3.386
  753   2HD2  LEU  99          HD22      LEU  99 173.775   0.702  -4.279
  754   3HD2  LEU  99          HD23      LEU  99 172.681   0.649  -2.896
  755    H    LEU 100           HN       LEU 100 176.543   2.448  -4.670
  756    HA   LEU 100           HA       LEU 100 178.272   0.184  -4.557
  757   1HB   LEU 100          HB2       LEU 100 176.974   0.436  -6.528
  758   2HB   LEU 100          HB1       LEU 100 177.465   2.104  -6.730
  759    HG   LEU 100           HG       LEU 100 179.800   1.251  -7.199
  760   1HD1  LEU 100          HD11      LEU 100 178.481  -1.387  -7.717
  761   2HD1  LEU 100          HD12      LEU 100 179.242  -1.025  -6.168
  762   3HD1  LEU 100          HD13      LEU 100 180.200  -0.999  -7.648
  763   1HD2  LEU 100          HD21      LEU 100 179.284   1.510  -9.343
  764   2HD2  LEU 100          HD22      LEU 100 177.591   1.560  -8.853
  765   3HD2  LEU 100          HD23      LEU 100 178.317   0.035  -9.359
  766    H    LEU 101           HN       LEU 101 178.671   3.635  -4.881
  767    HA   LEU 101           HA       LEU 101 181.328   3.880  -5.584
  768   1HB   LEU 101          HB2       LEU 101 180.067   5.830  -5.530
  769   2HB   LEU 101          HB1       LEU 101 179.420   5.504  -3.958
  770    HG   LEU 101           HG       LEU 101 181.172   7.431  -4.391
  771   1HD1  LEU 101          HD11      LEU 101 181.183   7.653  -2.161
  772   2HD1  LEU 101          HD12      LEU 101 181.771   6.014  -1.890
  773   3HD1  LEU 101          HD13      LEU 101 180.058   6.295  -2.208
  774   1HD2  LEU 101          HD21      LEU 101 183.142   5.514  -3.339
  775   2HD2  LEU 101          HD22      LEU 101 183.361   6.913  -4.390
  776   3HD2  LEU 101          HD23      LEU 101 182.787   5.386  -5.062
  777    H    HIS 102           HN       HIS 102 180.139   4.300  -2.310
  778    HA   HIS 102           HA       HIS 102 182.664   4.018  -1.097
  779   1HB   HIS 102          HB2       HIS 102 181.600   4.549   0.831
  780   2HB   HIS 102          HB1       HIS 102 180.292   4.955  -0.268
  781    HD2  HIS 102           HD2      HIS 102 178.295   2.864  -0.488
  782    HE1  HIS 102           HE1      HIS 102 179.254   1.391   3.360
  783    HE2  HIS 102           HE2      HIS 102 177.475   1.501   1.560
  784    H    LEU 103           HN       LEU 103 180.029   1.638  -1.415
  785    HA   LEU 103           HA       LEU 103 181.148  -0.383   0.111
  786   1HB   LEU 103          HB2       LEU 103 179.287  -0.323  -2.205
  787   2HB   LEU 103          HB1       LEU 103 179.922  -1.868  -1.689
  788    HG   LEU 103           HG       LEU 103 178.526   0.014   0.194
  789   1HD1  LEU 103          HD11      LEU 103 176.990  -0.544  -1.594
  790   2HD1  LEU 103          HD12      LEU 103 176.533  -1.366  -0.102
  791   3HD1  LEU 103          HD13      LEU 103 177.347  -2.259  -1.387
  792   1HD2  LEU 103          HD21      LEU 103 179.744  -2.649   0.376
  793   2HD2  LEU 103          HD22      LEU 103 178.145  -2.509   1.107
  794   3HD2  LEU 103          HD23      LEU 103 179.450  -1.443   1.629
  795    H    LYS 104           HN       LYS 104 181.474   0.049  -3.423
  796    HA   LYS 104           HA       LYS 104 183.265  -2.075  -3.788
  797   1HB   LYS 104          HB2       LYS 104 183.488  -1.355  -5.978
  798   2HB   LYS 104          HB1       LYS 104 181.933  -0.671  -5.532
  799   1HG   LYS 104          HG2       LYS 104 183.369   1.424  -4.909
  800   2HG   LYS 104          HG1       LYS 104 184.539   0.690  -6.005
  801   1HD   LYS 104          HD2       LYS 104 181.675   1.355  -6.672
  802   2HD   LYS 104          HD1       LYS 104 183.088   2.291  -7.162
  803   1HE   LYS 104          HE2       LYS 104 183.913   0.443  -8.472
  804   2HE   LYS 104          HE1       LYS 104 182.611  -0.595  -7.892
  805   1HZ   LYS 104          HZ1       LYS 104 181.846   1.891  -9.214
  806   2HZ   LYS 104          HZ2       LYS 104 181.107   0.371  -9.260
  807   3HZ   LYS 104          HZ3       LYS 104 182.486   0.669 -10.193
  808    H    LYS 105           HN       LYS 105 183.839   1.359  -3.071
  809    HA   LYS 105           HA       LYS 105 186.630   1.289  -3.367
  810   1HB   LYS 105          HB2       LYS 105 184.627   3.120  -2.377
  811   2HB   LYS 105          HB1       LYS 105 186.062   3.166  -1.364
  812   1HG   LYS 105          HG2       LYS 105 187.281   4.187  -2.937
  813   2HG   LYS 105          HG1       LYS 105 186.635   3.163  -4.222
  814   1HD   LYS 105          HD2       LYS 105 184.657   4.505  -4.381
  815   2HD   LYS 105          HD1       LYS 105 185.131   5.454  -2.970
  816   1HE   LYS 105          HE2       LYS 105 186.429   5.395  -5.686
  817   2HE   LYS 105          HE1       LYS 105 185.636   6.757  -4.896
  818   1HZ   LYS 105          HZ1       LYS 105 187.467   6.355  -3.112
  819   2HZ   LYS 105          HZ2       LYS 105 187.830   7.223  -4.518
  820   3HZ   LYS 105          HZ3       LYS 105 188.285   5.599  -4.386
  821    H    LEU 106           HN       LEU 106 184.552   0.239  -0.783
  822    HA   LEU 106           HA       LEU 106 186.680   0.052   1.147
  823   1HB   LEU 106          HB2       LEU 106 183.767  -0.423   1.127
  824   2HB   LEU 106          HB1       LEU 106 184.698  -1.378   2.265
  825    HG   LEU 106           HG       LEU 106 185.652   1.207   2.631
  826   1HD1  LEU 106          HD11      LEU 106 182.703   1.219   2.079
  827   2HD1  LEU 106          HD12      LEU 106 183.949   2.295   1.447
  828   3HD1  LEU 106          HD13      LEU 106 183.465   2.404   3.139
  829   1HD2  LEU 106          HD21      LEU 106 183.693  -0.509   4.124
  830   2HD2  LEU 106          HD22      LEU 106 184.230   1.053   4.742
  831   3HD2  LEU 106          HD23      LEU 106 185.402  -0.234   4.462
  832    H    PHE 107           HN       PHE 107 184.519  -2.342  -0.315
  833    HA   PHE 107           HA       PHE 107 185.912  -4.597   0.534
  834   1HB   PHE 107          HB2       PHE 107 183.607  -4.220  -0.870
  835   2HB   PHE 107          HB1       PHE 107 184.662  -4.836  -2.136
  836    HD1  PHE 107           HD1      PHE 107 186.323  -6.557  -0.114
  837    HD2  PHE 107           HD2      PHE 107 182.167  -6.142  -0.920
  838    HE1  PHE 107           HE1      PHE 107 185.942  -8.845   0.701
  839    HE2  PHE 107           HE2      PHE 107 181.779  -8.432  -0.105
  840    HZ   PHE 107           HZ       PHE 107 183.667  -9.783   0.709
  841    H    ARG 108           HN       ARG 108 186.636  -2.338  -1.975
  842    HA   ARG 108           HA       ARG 108 188.551  -4.108  -3.267
  843   1HB   ARG 108          HB2       ARG 108 187.764  -1.237  -3.766
  844   2HB   ARG 108          HB1       ARG 108 189.034  -2.056  -4.662
  845   1HG   ARG 108          HG2       ARG 108 187.499  -3.597  -5.605
  846   2HG   ARG 108          HG1       ARG 108 186.210  -3.073  -4.519
  847   1HD   ARG 108          HD2       ARG 108 186.027  -0.974  -5.604
  848   2HD   ARG 108          HD1       ARG 108 187.523  -1.230  -6.501
  849    HE   ARG 108           HE       ARG 108 184.922  -2.106  -7.240
  850   1HH1  ARG 108          HH11      ARG 108 188.294  -2.990  -7.391
  851   2HH1  ARG 108          HH12      ARG 108 188.108  -3.945  -8.824
  852   1HH2  ARG 108          HH21      ARG 108 184.675  -3.362  -9.124
  853   2HH2  ARG 108          HH22      ARG 108 186.054  -4.156  -9.808
  854    H    GLU 109           HN       GLU 109 188.573  -1.160  -1.288
  855    HA   GLU 109           HA       GLU 109 191.362  -0.775  -1.301
  856   1HB   GLU 109          HB2       GLU 109 189.124   0.128   0.465
  857   2HB   GLU 109          HB1       GLU 109 190.782   0.391   0.986
  858   1HG   GLU 109          HG2       GLU 109 190.201   1.210  -1.771
  859   2HG   GLU 109          HG1       GLU 109 189.353   2.118  -0.520
  860    H    GLY 110           HN       GLY 110 189.333  -2.966   0.463
  861   1HA   GLY 110          HA2       GLY 110 190.080  -4.882   1.583
  862   2HA   GLY 110          HA1       GLY 110 191.702  -4.209   1.607
  863    H    ARG 111           HN       ARG 111 189.513  -1.886   2.630
  864    HA   ARG 111           HA       ARG 111 190.084  -2.526   5.439
  865   1HB   ARG 111          HB2       ARG 111 190.079   0.006   3.891
  866   2HB   ARG 111          HB1       ARG 111 189.475   0.090   5.538
  867   1HG   ARG 111          HG2       ARG 111 191.570  -0.831   6.368
  868   2HG   ARG 111          HG1       ARG 111 192.174  -0.956   4.714
  869   1HD   ARG 111          HD2       ARG 111 192.281   1.372   4.459
  870   2HD   ARG 111          HD1       ARG 111 191.246   1.659   5.858
  871    HE   ARG 111           HE       ARG 111 193.495   0.370   6.810
  872   1HH1  ARG 111          HH11      ARG 111 192.781   3.359   5.155
  873   2HH1  ARG 111          HH12      ARG 111 194.119   4.209   5.850
  874   1HH2  ARG 111          HH21      ARG 111 195.256   1.488   7.726
  875   2HH2  ARG 111          HH22      ARG 111 195.525   3.147   7.309
  876    H    PHE 112           HN       PHE 112 187.959  -3.741   4.260
  877    HA   PHE 112           HA       PHE 112 185.536  -2.272   4.798
  878   1HB   PHE 112          HB2       PHE 112 184.511  -3.897   3.593
  879   2HB   PHE 112          HB1       PHE 112 186.149  -4.258   3.075
  880    HD1  PHE 112           HD1      PHE 112 187.169  -6.304   3.578
  881    HD2  PHE 112           HD2      PHE 112 183.492  -5.245   5.435
  882    HE1  PHE 112           HE1      PHE 112 186.948  -8.601   4.438
  883    HE2  PHE 112           HE2      PHE 112 183.261  -7.539   6.300
  884    HZ   PHE 112           HZ       PHE 112 184.991  -9.221   5.801
  885    H    ASN 113           HN       ASN 113 187.497  -4.741   6.292
  886    HA   ASN 113           HA       ASN 113 185.641  -5.433   8.344
  887   1HB   ASN 113          HB2       ASN 113 187.601  -6.531   9.412
  888   2HB   ASN 113          HB1       ASN 113 187.389  -6.992   7.726
  889   1HD2  ASN 113          HD21      ASN 113 188.893  -6.372   6.216
  890   2HD2  ASN 113          HD22      ASN 113 190.421  -5.687   6.640
  Start of MODEL   18
    1   1H    GLY   1          HT1       GLY   1 184.418  12.883  15.599
    2   2H    GLY   1          HT2       GLY   1 184.984  13.023  17.187
    3   3H    GLY   1          HT3       GLY   1 184.747  11.493  16.507
    4   1HA   GLY   1          HA1       GLY   1 186.440  12.512  14.731
    5   2HA   GLY   1          HA2       GLY   1 186.957  13.352  16.185
    6    H    GLY   2           HN       GLY   2 188.932  12.294  16.310
    7   1HA   GLY   2          HA2       GLY   2 189.566  10.389  17.920
    8   2HA   GLY   2          HA1       GLY   2 188.832   9.376  16.687
    9    HA   PRO   3           HA       PRO   3 193.428   9.416  15.914
   10   1HB   PRO   3          HB2       PRO   3 192.492   6.961  14.505
   11   2HB   PRO   3          HB1       PRO   3 193.917   7.200  15.523
   12   1HG   PRO   3          HG2       PRO   3 191.790   5.902  16.455
   13   2HG   PRO   3          HG1       PRO   3 192.705   7.012  17.492
   14   1HD   PRO   3          HD2       PRO   3 190.060   7.399  16.168
   15   2HD   PRO   3          HD1       PRO   3 190.631   7.984  17.744
   16    H    VAL   4           HN       VAL   4 194.495   8.921  13.675
   17    HA   VAL   4           HA       VAL   4 193.798  10.827  11.864
   18    HB   VAL   4           HB       VAL   4 195.052   8.194  11.094
   19   1HG1  VAL   4          1HG1      VAL   4 195.582  10.912   9.927
   20   2HG1  VAL   4          2HG1      VAL   4 194.333   9.839   9.297
   21   3HG1  VAL   4          3HG1      VAL   4 196.023   9.333   9.276
   22   1HG2  VAL   4          1HG2      VAL   4 196.386   8.847  12.869
   23   2HG2  VAL   4          2HG2      VAL   4 196.158  10.565  12.542
   24   3HG2  VAL   4          3HG2      VAL   4 197.199   9.599  11.496
   25    HA   PRO   5           HA       PRO   5 190.093   9.296   9.933
   26   1HB   PRO   5          HB2       PRO   5 190.015  10.965   7.804
   27   2HB   PRO   5          HB1       PRO   5 189.626  11.496   9.444
   28   1HG   PRO   5          HG2       PRO   5 192.173  11.819   7.904
   29   2HG   PRO   5          HG1       PRO   5 191.322  12.999   8.917
   30   1HD   PRO   5          HD2       PRO   5 193.477  11.605   9.789
   31   2HD   PRO   5          HD1       PRO   5 192.168  12.122  10.871
   32    HA   PRO   6           HA       PRO   6 192.240   6.522   7.034
   33   1HB   PRO   6          HB2       PRO   6 190.324   4.603   7.035
   34   2HB   PRO   6          HB1       PRO   6 191.525   4.756   8.323
   35   1HG   PRO   6          HG2       PRO   6 188.685   5.703   8.260
   36   2HG   PRO   6          HG1       PRO   6 189.565   4.892   9.569
   37   1HD   PRO   6          HD2       PRO   6 189.158   7.568   9.528
   38   2HD   PRO   6          HD1       PRO   6 190.610   6.835  10.239
   39    H    SER   7           HN       SER   7 191.927   8.051   5.308
   40    HA   SER   7           HA       SER   7 189.515   8.502   3.971
   41   1HB   SER   7          HB2       SER   7 192.400   8.789   3.263
   42   2HB   SER   7          HB1       SER   7 191.213   8.887   1.963
   43    HG   SER   7           HG       SER   7 191.820  10.904   3.136
   44    H    THR   8           HN       THR   8 191.801   5.874   3.759
   45    HA   THR   8           HA       THR   8 191.064   4.758   1.313
   46    HB   THR   8           HB       THR   8 191.938   3.301   3.816
   47    HG1  THR   8           1HG      THR   8 193.494   4.320   1.677
   48   1HG2  THR   8          1HG2      THR   8 191.139   2.206   1.403
   49   2HG2  THR   8          2HG2      THR   8 192.101   1.424   2.658
   50   3HG2  THR   8          3HG2      THR   8 192.900   2.242   1.314
   51    H    ALA   9           HN       ALA   9 189.549   4.565   4.467
   52    HA   ALA   9           HA       ALA   9 187.824   2.420   4.071
   53   1HB   ALA   9          HB1       ALA   9 186.354   3.552   5.746
   54   2HB   ALA   9          HB2       ALA   9 187.436   4.943   5.672
   55   3HB   ALA   9          HB3       ALA   9 188.037   3.387   6.246
   56    H    LEU  10           HN       LEU  10 187.703   5.674   2.845
   57    HA   LEU  10           HA       LEU  10 184.972   5.647   2.036
   58   1HB   LEU  10          HB2       LEU  10 186.118   7.750   2.346
   59   2HB   LEU  10          HB1       LEU  10 187.332   7.314   1.160
   60    HG   LEU  10           HG       LEU  10 184.465   7.506   0.323
   61   1HD1  LEU  10          HD11      LEU  10 184.448   9.785   0.171
   62   2HD1  LEU  10          HD12      LEU  10 186.206   9.909   0.129
   63   3HD1  LEU  10          HD13      LEU  10 185.381   9.583   1.653
   64   1HD2  LEU  10          HD21      LEU  10 187.141   7.477  -0.936
   65   2HD2  LEU  10          HD22      LEU  10 185.922   8.512  -1.680
   66   3HD2  LEU  10          HD23      LEU  10 185.616   6.785  -1.490
   67    H    ARG  11           HN       ARG  11 188.025   5.250   0.240
   68    HA   ARG  11           HA       ARG  11 186.937   4.706  -2.254
   69   1HB   ARG  11          HB2       ARG  11 189.050   3.754  -2.844
   70   2HB   ARG  11          HB1       ARG  11 189.366   5.080  -1.735
   71   1HG   ARG  11          HG2       ARG  11 190.249   3.738  -0.174
   72   2HG   ARG  11          HG1       ARG  11 189.075   2.453  -0.457
   73   1HD   ARG  11          HD2       ARG  11 190.590   1.323  -1.620
   74   2HD   ARG  11          HD1       ARG  11 190.714   2.658  -2.764
   75    HE   ARG  11           HE       ARG  11 192.593   1.955  -0.730
   76   1HH1  ARG  11          HH11      ARG  11 191.301   4.630  -2.562
   77   2HH1  ARG  11          HH12      ARG  11 192.728   5.597  -2.393
   78   1HH2  ARG  11          HH21      ARG  11 194.471   3.225  -0.508
   79   2HH2  ARG  11          HH22      ARG  11 194.528   4.799  -1.228
   80    H    GLU  12           HN       GLU  12 187.071   2.762   0.594
   81    HA   GLU  12           HA       GLU  12 186.777   0.212  -0.545
   82   1HB   GLU  12          HB2       GLU  12 186.616   1.403   2.100
   83   2HB   GLU  12          HB1       GLU  12 185.423   0.130   1.888
   84   1HG   GLU  12          HG2       GLU  12 187.210  -1.403   1.190
   85   2HG   GLU  12          HG1       GLU  12 188.392  -0.124   1.467
   86    H    LEU  13           HN       LEU  13 184.278   2.424   0.801
   87    HA   LEU  13           HA       LEU  13 182.148   0.742  -0.069
   88   1HB   LEU  13          HB2       LEU  13 181.030   2.031   1.350
   89   2HB   LEU  13          HB1       LEU  13 182.451   3.036   1.541
   90    HG   LEU  13           HG       LEU  13 181.639   4.353  -0.472
   91   1HD1  LEU  13          HD11      LEU  13 178.961   4.066  -0.426
   92   2HD1  LEU  13          HD12      LEU  13 179.462   2.393  -0.183
   93   3HD1  LEU  13          HD13      LEU  13 180.010   3.281  -1.604
   94   1HD2  LEU  13          HD21      LEU  13 181.439   5.054   1.911
   95   2HD2  LEU  13          HD22      LEU  13 179.818   4.359   1.928
   96   3HD2  LEU  13          HD23      LEU  13 180.189   5.710   0.855
   97    H    ILE  14           HN       ILE  14 183.899   3.411  -1.478
   98    HA   ILE  14           HA       ILE  14 182.114   4.058  -3.534
   99    HB   ILE  14           HB       ILE  14 184.933   4.601  -2.909
  100   1HG1  ILE  14          2HG1      ILE  14 184.259   6.873  -3.591
  101   2HG1  ILE  14          1HG1      ILE  14 182.711   6.240  -4.142
  102   1HG2  ILE  14          1HG2      ILE  14 185.279   5.569  -5.251
  103   2HG2  ILE  14          2HG2      ILE  14 184.003   4.461  -5.757
  104   3HG2  ILE  14          3HG2      ILE  14 185.486   3.832  -5.040
  105   1HD1  ILE  14          HD11      ILE  14 183.348   7.211  -1.611
  106   2HD1  ILE  14          HD12      ILE  14 183.199   5.464  -1.422
  107   3HD1  ILE  14          HD13      ILE  14 181.866   6.394  -2.105
  108    H    GLU  15           HN       GLU  15 185.106   2.106  -3.792
  109    HA   GLU  15           HA       GLU  15 184.493   1.203  -6.403
  110   1HB   GLU  15          HB2       GLU  15 186.390  -0.111  -4.465
  111   2HB   GLU  15          HB1       GLU  15 186.431  -0.186  -6.221
  112   1HG   GLU  15          HG2       GLU  15 186.877   2.291  -4.575
  113   2HG   GLU  15          HG1       GLU  15 188.143   1.302  -5.300
  114    H    GLU  16           HN       GLU  16 184.048  -0.299  -3.222
  115    HA   GLU  16           HA       GLU  16 183.344  -2.856  -4.144
  116   1HB   GLU  16          HB2       GLU  16 183.911  -2.045  -1.779
  117   2HB   GLU  16          HB1       GLU  16 182.225  -1.584  -1.667
  118   1HG   GLU  16          HG2       GLU  16 181.826  -3.640  -0.949
  119   2HG   GLU  16          HG1       GLU  16 182.134  -4.180  -2.599
  120    H    LEU  17           HN       LEU  17 181.300  -0.127  -3.188
  121    HA   LEU  17           HA       LEU  17 178.876  -1.441  -3.869
  122   1HB   LEU  17          HB2       LEU  17 179.471   1.469  -3.359
  123   2HB   LEU  17          HB1       LEU  17 177.865   0.797  -3.531
  124    HG   LEU  17           HG       LEU  17 179.678   0.769  -1.219
  125   1HD1  LEU  17          HD11      LEU  17 176.737   0.770  -1.745
  126   2HD1  LEU  17          HD12      LEU  17 177.722   1.969  -0.909
  127   3HD1  LEU  17          HD13      LEU  17 177.361   0.427  -0.133
  128   1HD2  LEU  17          HD21      LEU  17 178.005  -1.667  -1.821
  129   2HD2  LEU  17          HD22      LEU  17 178.888  -1.346  -0.329
  130   3HD2  LEU  17          HD23      LEU  17 179.767  -1.610  -1.834
  131    H    VAL  18           HN       VAL  18 181.143   0.604  -5.547
  132    HA   VAL  18           HA       VAL  18 179.416   1.257  -7.681
  133    HB   VAL  18           HB       VAL  18 181.894   2.117  -6.972
  134   1HG1  VAL  18          1HG1      VAL  18 182.400   0.744  -9.582
  135   2HG1  VAL  18          2HG1      VAL  18 182.818  -0.005  -8.041
  136   3HG1  VAL  18          3HG1      VAL  18 183.552   1.531  -8.502
  137   1HG2  VAL  18          1HG2      VAL  18 181.249   2.591  -9.795
  138   2HG2  VAL  18          2HG2      VAL  18 181.501   3.736  -8.478
  139   3HG2  VAL  18          3HG2      VAL  18 179.947   2.921  -8.651
  140    H    ASN  19           HN       ASN  19 181.523  -1.385  -6.935
  141    HA   ASN  19           HA       ASN  19 181.497  -2.624  -9.491
  142   1HB   ASN  19          HB2       ASN  19 183.222  -3.076  -7.766
  143   2HB   ASN  19          HB1       ASN  19 182.000  -3.876  -6.782
  144   1HD2  ASN  19          HD21      ASN  19 181.425  -5.934  -7.232
  145   2HD2  ASN  19          HD22      ASN  19 182.140  -6.887  -8.483
  146    H    ILE  20           HN       ILE  20 179.706  -3.338  -6.456
  147    HA   ILE  20           HA       ILE  20 178.190  -5.431  -7.493
  148    HB   ILE  20           HB       ILE  20 176.722  -5.100  -5.626
  149   1HG1  ILE  20          2HG1      ILE  20 178.069  -2.425  -5.368
  150   2HG1  ILE  20          1HG1      ILE  20 176.351  -2.739  -5.614
  151   1HG2  ILE  20          1HG2      ILE  20 179.258  -4.391  -4.326
  152   2HG2  ILE  20          2HG2      ILE  20 179.316  -5.746  -5.454
  153   3HG2  ILE  20          3HG2      ILE  20 178.209  -5.789  -4.081
  154   1HD1  ILE  20          HD11      ILE  20 176.386  -3.864  -3.347
  155   2HD1  ILE  20          HD12      ILE  20 176.584  -2.112  -3.365
  156   3HD1  ILE  20          HD13      ILE  20 177.986  -3.156  -3.132
  157    H    THR  21           HN       THR  21 177.652  -1.949  -7.562
  158    HA   THR  21           HA       THR  21 175.019  -2.271  -8.737
  159    HB   THR  21           HB       THR  21 175.492  -0.476  -7.090
  160    HG1  THR  21           1HG      THR  21 174.426   1.142  -8.284
  161   1HG2  THR  21          1HG2      THR  21 176.797   1.182  -9.160
  162   2HG2  THR  21          2HG2      THR  21 177.799   0.015  -8.297
  163   3HG2  THR  21          3HG2      THR  21 176.916   1.251  -7.402
  164    H    GLN  22           HN       GLN  22 178.257  -1.314  -9.781
  165    HA   GLN  22           HA       GLN  22 177.217  -0.923 -12.500
  166   1HB   GLN  22          HB2       GLN  22 179.983  -0.215 -11.542
  167   2HB   GLN  22          HB1       GLN  22 179.160   0.351 -12.988
  168   1HG   GLN  22          HG2       GLN  22 177.509   1.495 -11.507
  169   2HG   GLN  22          HG1       GLN  22 178.530   1.063 -10.136
  170   1HE2  GLN  22          1HE2      GLN  22 178.218   3.581 -10.210
  171   2HE2  GLN  22          2HE2      GLN  22 179.532   4.436 -10.936
  172    H    ASN  23           HN       ASN  23 177.082  -3.424 -12.316
  173    HA   ASN  23           HA       ASN  23 179.463  -4.456 -13.670
  174   1HB   ASN  23          HB2       ASN  23 178.567  -5.275 -11.050
  175   2HB   ASN  23          HB1       ASN  23 178.492  -6.627 -12.171
  176   1HD2  ASN  23          HD21      ASN  23 180.586  -4.138 -10.864
  177   2HD2  ASN  23          HD22      ASN  23 182.065  -4.992 -11.111
  178    H    GLN  24           HN       GLN  24 176.620  -6.225 -12.537
  179    HA   GLN  24           HA       GLN  24 176.001  -6.908 -15.307
  180   1HB   GLN  24          HB2       GLN  24 175.716  -8.208 -12.710
  181   2HB   GLN  24          HB1       GLN  24 174.291  -8.367 -13.729
  182   1HG   GLN  24          HG2       GLN  24 177.106  -9.160 -14.407
  183   2HG   GLN  24          HG1       GLN  24 175.744 -10.226 -14.096
  184   1HE2  GLN  24          1HE2      GLN  24 174.118 -10.439 -15.649
  185   2HE2  GLN  24          2HE2      GLN  24 174.363  -9.964 -17.292
  186    H    LYS  25           HN       LYS  25 173.558  -7.010 -12.830
  187    HA   LYS  25           HA       LYS  25 172.133  -4.797 -14.145
  188   1HB   LYS  25          HB2       LYS  25 170.982  -7.287 -12.865
  189   2HB   LYS  25          HB1       LYS  25 170.034  -5.951 -13.506
  190   1HG   LYS  25          HG2       LYS  25 171.297  -6.441 -15.714
  191   2HG   LYS  25          HG1       LYS  25 171.634  -8.004 -14.968
  192   1HD   LYS  25          HD2       LYS  25 168.980  -7.772 -14.482
  193   2HD   LYS  25          HD1       LYS  25 169.111  -6.906 -16.015
  194   1HE   LYS  25          HE2       LYS  25 169.747  -8.774 -17.173
  195   2HE   LYS  25          HE1       LYS  25 170.488  -9.528 -15.762
  196   1HZ   LYS  25          HZ1       LYS  25 168.610 -10.791 -16.060
  197   2HZ   LYS  25          HZ2       LYS  25 167.662  -9.487 -16.572
  198   3HZ   LYS  25          HZ3       LYS  25 168.054  -9.656 -14.935
  199    H    ALA  26           HN       ALA  26 173.752  -5.717 -11.455
  200    HA   ALA  26           HA       ALA  26 174.071  -4.641  -9.465
  201   1HB   ALA  26          HB1       ALA  26 173.063  -2.612  -8.962
  202   2HB   ALA  26          HB2       ALA  26 171.583  -3.018  -9.831
  203   3HB   ALA  26          HB3       ALA  26 173.054  -2.637 -10.726
  204    HA   PRO  27           HA       PRO  27 170.369  -7.144  -7.895
  205   1HB   PRO  27          HB2       PRO  27 170.957  -9.654  -8.270
  206   2HB   PRO  27          HB1       PRO  27 170.468  -8.682  -9.674
  207   1HG   PRO  27          HG2       PRO  27 173.223  -9.229  -8.672
  208   2HG   PRO  27          HG1       PRO  27 172.590  -9.605 -10.289
  209   1HD   PRO  27          HD2       PRO  27 173.976  -7.344  -9.798
  210   2HD   PRO  27          HD1       PRO  27 172.588  -7.350 -10.910
  211    H    LEU  28           HN       LEU  28 170.743  -9.341  -6.370
  212    HA   LEU  28           HA       LEU  28 173.131  -8.963  -4.753
  213   1HB   LEU  28          HB2       LEU  28 171.619  -7.437  -3.694
  214   2HB   LEU  28          HB1       LEU  28 170.330  -8.623  -3.704
  215    HG   LEU  28           HG       LEU  28 171.301  -9.872  -1.961
  216   1HD1  LEU  28          HD11      LEU  28 173.813  -8.288  -2.458
  217   2HD1  LEU  28          HD12      LEU  28 173.566 -10.018  -2.693
  218   3HD1  LEU  28          HD13      LEU  28 173.570  -9.341  -1.065
  219   1HD2  LEU  28          HD21      LEU  28 171.183  -6.958  -1.643
  220   2HD2  LEU  28          HD22      LEU  28 172.104  -7.802  -0.398
  221   3HD2  LEU  28          HD23      LEU  28 170.422  -8.238  -0.698
  222    H    CYS  29           HN       CYS  29 170.075 -10.554  -4.007
  223    HA   CYS  29           HA       CYS  29 171.515 -13.119  -3.957
  224   1HB   CYS  29          HB2       CYS  29 169.622 -11.873  -2.133
  225   2HB   CYS  29          HB1       CYS  29 169.119 -13.495  -2.594
  226    H    ASN  30           HN       ASN  30 170.036 -11.678  -6.211
  227    HA   ASN  30           HA       ASN  30 168.598 -12.154  -7.913
  228   1HB   ASN  30          HB2       ASN  30 170.340 -13.864  -8.248
  229   2HB   ASN  30          HB1       ASN  30 169.438 -14.977  -7.225
  230   1HD2  ASN  30          HD21      ASN  30 169.454 -16.399  -9.050
  231   2HD2  ASN  30          HD22      ASN  30 168.300 -16.191 -10.319
  232    H    GLY  31           HN       GLY  31 167.095 -11.617  -5.765
  233   1HA   GLY  31          HA2       GLY  31 164.647 -11.999  -5.860
  234   2HA   GLY  31          HA1       GLY  31 165.012 -13.716  -5.831
  235    H    SER  32           HN       SER  32 165.166 -10.741  -3.941
  236    HA   SER  32           HA       SER  32 164.310 -12.064  -1.575
  237   1HB   SER  32          HB2       SER  32 167.040 -10.891  -1.229
  238   2HB   SER  32          HB1       SER  32 166.212 -12.105  -0.257
  239    HG   SER  32           HG       SER  32 167.437 -12.429  -2.788
  240    H    MET  33           HN       MET  33 162.863 -10.556  -1.030
  241    HA   MET  33           HA       MET  33 162.969  -7.849  -1.592
  242   1HB   MET  33          HB2       MET  33 161.570  -9.029   0.801
  243   2HB   MET  33          HB1       MET  33 161.123  -7.610  -0.122
  244   1HG   MET  33          HG2       MET  33 160.986 -10.458  -1.039
  245   2HG   MET  33          HG1       MET  33 159.631  -9.401  -0.656
  246   1HE   MET  33          HE1       MET  33 159.689  -6.751  -3.346
  247   2HE   MET  33          HE2       MET  33 161.257  -6.605  -2.552
  248   3HE   MET  33          HE3       MET  33 159.816  -6.957  -1.599
  249    H    VAL  34           HN       VAL  34 163.157  -6.037  -0.101
  250    HA   VAL  34           HA       VAL  34 164.894  -6.506   2.209
  251    HB   VAL  34           HB       VAL  34 165.934  -4.172   1.068
  252   1HG1  VAL  34          1HG1      VAL  34 167.432  -6.669   0.635
  253   2HG1  VAL  34          2HG1      VAL  34 166.878  -6.382   2.285
  254   3HG1  VAL  34          3HG1      VAL  34 167.899  -5.192   1.478
  255   1HG2  VAL  34          1HG2      VAL  34 166.799  -5.117  -1.123
  256   2HG2  VAL  34          2HG2      VAL  34 165.115  -4.595  -1.103
  257   3HG2  VAL  34          3HG2      VAL  34 165.509  -6.311  -1.004
  258    H    TRP  35           HN       TRP  35 165.423  -4.147   3.164
  259    HA   TRP  35           HA       TRP  35 162.794  -2.907   3.606
  260   1HB   TRP  35          HB2       TRP  35 164.785  -3.828   5.367
  261   2HB   TRP  35          HB1       TRP  35 164.819  -2.074   5.477
  262    HD1  TRP  35           HD1      TRP  35 163.727  -4.216   7.729
  263    HE1  TRP  35           HE1      TRP  35 161.389  -3.797   8.706
  264    HE3  TRP  35           HE3      TRP  35 161.819  -1.230   4.040
  265    HZ2  TRP  35           HZ2      TRP  35 159.043  -2.392   8.013
  266    HZ3  TRP  35           HZ3      TRP  35 159.520  -0.390   4.277
  267    HH2  TRP  35           HH2      TRP  35 158.161  -0.961   6.223
  268    H    SER  36           HN       SER  36 165.728  -2.344   2.082
  269    HA   SER  36           HA       SER  36 166.564  -0.567   0.941
  270   1HB   SER  36          HB2       SER  36 164.391   0.092   0.235
  271   2HB   SER  36          HB1       SER  36 163.993   0.714   1.830
  272    HG   SER  36           HG       SER  36 164.539   2.485   0.695
  273    H    ILE  37           HN       ILE  37 167.307   1.769   1.304
  274    HA   ILE  37           HA       ILE  37 168.678   1.862   3.784
  275    HB   ILE  37           HB       ILE  37 168.576   3.867   1.536
  276   1HG1  ILE  37          2HG1      ILE  37 169.246   1.475   0.912
  277   2HG1  ILE  37          1HG1      ILE  37 170.385   2.753   0.501
  278   1HG2  ILE  37          1HG2      ILE  37 170.341   3.460   3.880
  279   2HG2  ILE  37          2HG2      ILE  37 169.522   4.918   3.333
  280   3HG2  ILE  37          3HG2      ILE  37 170.913   4.301   2.443
  281   1HD1  ILE  37          HD11      ILE  37 171.154   0.505   1.640
  282   2HD1  ILE  37          HD12      ILE  37 170.725   1.385   3.107
  283   3HD1  ILE  37          HD13      ILE  37 171.932   2.046   2.003
  284    H    ASN  38           HN       ASN  38 168.773   3.874   5.050
  285    HA   ASN  38           HA       ASN  38 166.098   5.044   5.375
  286   1HB   ASN  38          HB2       ASN  38 168.269   4.325   7.256
  287   2HB   ASN  38          HB1       ASN  38 167.433   5.835   7.602
  288   1HD2  ASN  38          HD21      ASN  38 166.516   5.017   9.471
  289   2HD2  ASN  38          HD22      ASN  38 165.227   3.866   9.440
  290    H    LEU  39           HN       LEU  39 166.738   6.341   3.454
  291    HA   LEU  39           HA       LEU  39 168.766   8.320   3.699
  292   1HB   LEU  39          HB2       LEU  39 166.479   8.030   1.765
  293   2HB   LEU  39          HB1       LEU  39 167.747   9.239   1.629
  294    HG   LEU  39           HG       LEU  39 169.037   6.750   1.941
  295   1HD1  LEU  39          HD11      LEU  39 166.783   5.857   1.250
  296   2HD1  LEU  39          HD12      LEU  39 168.165   5.358   0.272
  297   3HD1  LEU  39          HD13      LEU  39 167.072   6.612  -0.318
  298   1HD2  LEU  39          HD21      LEU  39 170.050   8.501   0.769
  299   2HD2  LEU  39          HD22      LEU  39 168.677   8.680  -0.323
  300   3HD2  LEU  39          HD23      LEU  39 169.717   7.259  -0.440
  301    H    THR  40           HN       THR  40 167.747   8.730   5.860
  302    HA   THR  40           HA       THR  40 166.365  11.286   5.688
  303    HB   THR  40           HB       THR  40 164.458   9.923   5.979
  304    HG1  THR  40           1HG      THR  40 164.297  11.536   7.445
  305   1HG2  THR  40          1HG2      THR  40 165.839   7.884   6.700
  306   2HG2  THR  40          2HG2      THR  40 164.212   8.079   7.352
  307   3HG2  THR  40          3HG2      THR  40 165.614   8.500   8.337
  308    H    ALA  41           HN       ALA  41 167.603   8.839   7.965
  309    HA   ALA  41           HA       ALA  41 169.207  10.924   9.245
  310   1HB   ALA  41          HB1       ALA  41 167.015   9.394  10.520
  311   2HB   ALA  41          HB2       ALA  41 167.598  11.027  10.843
  312   3HB   ALA  41          HB3       ALA  41 168.485   9.635  11.465
  313    H    GLY  42           HN       GLY  42 168.501   7.622  10.325
  314   1HA   GLY  42          HA2       GLY  42 171.363   7.034  10.208
  315   2HA   GLY  42          HA1       GLY  42 170.141   6.083  11.038
  316    H    MET  43           HN       MET  43 171.508   6.870   7.904
  317    HA   MET  43           HA       MET  43 170.011   4.860   6.511
  318   1HB   MET  43          HB2       MET  43 171.328   5.471   4.580
  319   2HB   MET  43          HB1       MET  43 170.803   6.924   5.412
  320   1HG   MET  43          HG2       MET  43 172.977   7.443   4.960
  321   2HG   MET  43          HG1       MET  43 173.125   6.763   6.578
  322   1HE   MET  43          HE1       MET  43 173.024   3.971   3.278
  323   2HE   MET  43          HE2       MET  43 174.170   5.103   2.561
  324   3HE   MET  43          HE3       MET  43 172.589   5.670   3.097
  325    H    TYR  44           HN       TYR  44 173.245   5.094   7.898
  326    HA   TYR  44           HA       TYR  44 174.367   2.800   6.769
  327   1HB   TYR  44          HB2       TYR  44 174.860   4.093   9.456
  328   2HB   TYR  44          HB1       TYR  44 175.850   2.793   8.800
  329    HD1  TYR  44           HD1      TYR  44 176.713   3.289   6.300
  330    HD2  TYR  44           HD2      TYR  44 175.616   6.245   9.159
  331    HE1  TYR  44           HE1      TYR  44 178.093   4.940   5.114
  332    HE2  TYR  44           HE2      TYR  44 176.993   7.904   7.978
  333    HH   TYR  44           HH       TYR  44 178.340   7.298   4.866
  334    H    CYS  45           HN       CYS  45 172.895   3.109  10.011
  335    HA   CYS  45           HA       CYS  45 172.925   0.405  10.663
  336   1HB   CYS  45          HB2       CYS  45 171.082   2.638  11.506
  337   2HB   CYS  45          HB1       CYS  45 170.948   1.013  12.166
  338    H    ALA  46           HN       ALA  46 170.832   2.185   8.554
  339    HA   ALA  46           HA       ALA  46 168.662   0.353   8.512
  340   1HB   ALA  46          HB1       ALA  46 168.447   1.569   6.123
  341   2HB   ALA  46          HB2       ALA  46 169.497   2.713   6.958
  342   3HB   ALA  46          HB3       ALA  46 167.926   2.298   7.642
  343    H    ALA  47           HN       ALA  47 171.206   0.969   6.085
  344    HA   ALA  47           HA       ALA  47 170.587  -1.251   4.479
  345   1HB   ALA  47          HB1       ALA  47 172.269   0.899   4.269
  346   2HB   ALA  47          HB2       ALA  47 172.183  -0.449   3.135
  347   3HB   ALA  47          HB3       ALA  47 173.394  -0.451   4.418
  348    H    LEU  48           HN       LEU  48 172.395  -0.989   7.425
  349    HA   LEU  48           HA       LEU  48 173.847  -3.438   7.088
  350   1HB   LEU  48          HB2       LEU  48 174.804  -1.710   8.448
  351   2HB   LEU  48          HB1       LEU  48 173.366  -1.622   9.444
  352    HG   LEU  48           HG       LEU  48 173.852  -3.995  10.164
  353   1HD1  LEU  48          HD11      LEU  48 175.629  -4.024   8.131
  354   2HD1  LEU  48          HD12      LEU  48 175.705  -5.100   9.526
  355   3HD1  LEU  48          HD13      LEU  48 176.691  -3.639   9.485
  356   1HD2  LEU  48          HD21      LEU  48 175.515  -1.614  10.843
  357   2HD2  LEU  48          HD22      LEU  48 175.891  -3.172  11.579
  358   3HD2  LEU  48          HD23      LEU  48 174.298  -2.451  11.807
  359    H    GLU  49           HN       GLU  49 171.014  -2.353   8.895
  360    HA   GLU  49           HA       GLU  49 170.522  -4.792  10.173
  361   1HB   GLU  49          HB2       GLU  49 168.343  -3.908  10.736
  362   2HB   GLU  49          HB1       GLU  49 169.555  -2.648  10.915
  363   1HG   GLU  49          HG2       GLU  49 168.825  -1.508   9.025
  364   2HG   GLU  49          HG1       GLU  49 167.957  -2.908   8.398
  365    H    SER  50           HN       SER  50 169.506  -3.527   7.057
  366    HA   SER  50           HA       SER  50 167.707  -5.711   6.543
  367   1HB   SER  50          HB2       SER  50 168.660  -4.178   4.223
  368   2HB   SER  50          HB1       SER  50 167.016  -4.486   4.775
  369    HG   SER  50           HG       SER  50 167.454  -2.302   4.984
  370    H    LEU  51           HN       LEU  51 170.998  -4.816   5.619
  371    HA   LEU  51           HA       LEU  51 171.418  -6.874   3.746
  372   1HB   LEU  51          HB2       LEU  51 173.198  -5.128   5.397
  373   2HB   LEU  51          HB1       LEU  51 173.891  -6.463   4.501
  374    HG   LEU  51           HG       LEU  51 172.247  -4.270   3.243
  375   1HD1  LEU  51          HD11      LEU  51 175.150  -4.444   2.752
  376   2HD1  LEU  51          HD12      LEU  51 174.660  -3.845   4.337
  377   3HD1  LEU  51          HD13      LEU  51 174.098  -3.034   2.875
  378   1HD2  LEU  51          HD21      LEU  51 172.521  -5.310   1.269
  379   2HD2  LEU  51          HD22      LEU  51 172.755  -6.745   2.267
  380   3HD2  LEU  51          HD23      LEU  51 174.152  -5.853   1.663
  381    H    ILE  52           HN       ILE  52 171.864  -6.720   7.243
  382    HA   ILE  52           HA       ILE  52 173.209  -9.182   7.538
  383    HB   ILE  52           HB       ILE  52 173.169  -7.467   9.299
  384   1HG1  ILE  52          2HG1      ILE  52 171.974 -10.099  10.193
  385   2HG1  ILE  52          1HG1      ILE  52 173.680  -9.820   9.855
  386   1HG2  ILE  52          1HG2      ILE  52 171.056  -6.544   9.349
  387   2HG2  ILE  52          2HG2      ILE  52 171.048  -7.552  10.795
  388   3HG2  ILE  52          3HG2      ILE  52 170.253  -8.113   9.326
  389   1HD1  ILE  52          HD11      ILE  52 172.340  -9.510  12.287
  390   2HD1  ILE  52          HD12      ILE  52 172.729  -7.881  11.735
  391   3HD1  ILE  52          HD13      ILE  52 174.009  -9.083  11.911
  392    H    ASN  53           HN       ASN  53 169.847  -8.369   7.158
  393    HA   ASN  53           HA       ASN  53 168.792 -10.834   8.125
  394   1HB   ASN  53          HB2       ASN  53 167.728  -8.466   6.673
  395   2HB   ASN  53          HB1       ASN  53 166.810  -9.964   6.549
  396   1HD2  ASN  53          HD21      ASN  53 165.679  -7.805   7.716
  397   2HD2  ASN  53          HD22      ASN  53 165.525  -8.054   9.419
  398    H    VAL  54           HN       VAL  54 170.166  -9.797   5.123
  399    HA   VAL  54           HA       VAL  54 168.981 -11.590   3.339
  400    HB   VAL  54           HB       VAL  54 171.842 -10.622   3.251
  401   1HG1  VAL  54          1HG1      VAL  54 171.651 -12.273   1.621
  402   2HG1  VAL  54          2HG1      VAL  54 171.322 -10.784   0.734
  403   3HG1  VAL  54          3HG1      VAL  54 169.990 -11.828   1.228
  404   1HG2  VAL  54          1HG2      VAL  54 169.269  -9.301   2.450
  405   2HG2  VAL  54          2HG2      VAL  54 170.804  -8.866   1.700
  406   3HG2  VAL  54          3HG2      VAL  54 170.581  -8.660   3.438
  407    H    SER  55           HN       SER  55 169.419 -13.666   2.721
  408    HA   SER  55           HA       SER  55 171.535 -15.111   4.155
  409   1HB   SER  55          HB2       SER  55 168.680 -16.070   3.838
  410   2HB   SER  55          HB1       SER  55 170.003 -17.009   4.528
  411    HG   SER  55           HG       SER  55 168.559 -15.824   6.029
  412    H    GLY  56           HN       GLY  56 172.672 -16.505   2.925
  413   1HA   GLY  56          HA2       GLY  56 173.076 -17.998   1.164
  414   2HA   GLY  56          HA1       GLY  56 171.548 -17.521   0.438
  415    H    CYS  57           HN       CYS  57 173.875 -15.150   1.494
  416    HA   CYS  57           HA       CYS  57 174.672 -14.673  -1.292
  417   1HB   CYS  57          HB2       CYS  57 173.273 -12.888   0.589
  418   2HB   CYS  57          HB1       CYS  57 174.658 -12.165  -0.213
  419    H    SER  58           HN       SER  58 175.366 -12.984   1.739
  420    HA   SER  58           HA       SER  58 177.281 -12.579   2.876
  421   1HB   SER  58          HB2       SER  58 177.259 -15.279   2.429
  422   2HB   SER  58          HB1       SER  58 178.828 -14.817   1.765
  423    HG   SER  58           HG       SER  58 177.860 -14.266   4.377
  424    H    ALA  59           HN       ALA  59 176.978 -11.946  -0.182
  425    HA   ALA  59           HA       ALA  59 179.751 -11.639  -0.963
  426   1HB   ALA  59          HB1       ALA  59 178.944 -10.864  -3.042
  427   2HB   ALA  59          HB2       ALA  59 177.363 -10.470  -2.369
  428   3HB   ALA  59          HB3       ALA  59 177.844 -12.155  -2.561
  429    H    ILE  60           HN       ILE  60 177.068  -9.663   0.119
  430    HA   ILE  60           HA       ILE  60 178.464  -7.175  -0.067
  431    HB   ILE  60           HB       ILE  60 176.481  -6.326   1.177
  432   1HG1  ILE  60          2HG1      ILE  60 174.650  -8.391   0.939
  433   2HG1  ILE  60          1HG1      ILE  60 176.088  -9.186   1.564
  434   1HG2  ILE  60          1HG2      ILE  60 176.245  -6.101  -1.104
  435   2HG2  ILE  60          2HG2      ILE  60 174.826  -7.062  -0.689
  436   3HG2  ILE  60          3HG2      ILE  60 176.249  -7.843  -1.376
  437   1HD1  ILE  60          HD11      ILE  60 175.493  -6.703   2.940
  438   2HD1  ILE  60          HD12      ILE  60 175.820  -8.315   3.579
  439   3HD1  ILE  60          HD13      ILE  60 174.193  -7.890   3.048
  440    H    GLU  61           HN       GLU  61 178.887  -9.699   2.000
  441    HA   GLU  61           HA       GLU  61 178.766  -8.943   4.574
  442   1HB   GLU  61          HB2       GLU  61 180.600 -10.625   3.027
  443   2HB   GLU  61          HB1       GLU  61 181.276 -10.038   4.540
  444   1HG   GLU  61          HG2       GLU  61 178.783 -10.878   5.294
  445   2HG   GLU  61          HG1       GLU  61 179.228 -12.051   4.055
  446    H    LYS  62           HN       LYS  62 181.272  -7.903   2.321
  447    HA   LYS  62           HA       LYS  62 182.868  -6.474   4.114
  448   1HB   LYS  62          HB2       LYS  62 182.444  -6.456   1.179
  449   2HB   LYS  62          HB1       LYS  62 183.192  -5.021   1.866
  450   1HG   LYS  62          HG2       LYS  62 184.642  -6.959   3.067
  451   2HG   LYS  62          HG1       LYS  62 184.259  -7.735   1.529
  452   1HD   LYS  62          HD2       LYS  62 186.365  -6.521   1.381
  453   2HD   LYS  62          HD1       LYS  62 185.149  -5.790   0.332
  454   1HE   LYS  62          HE2       LYS  62 184.902  -3.934   1.693
  455   2HE   LYS  62          HE1       LYS  62 185.523  -4.770   3.116
  456   1HZ   LYS  62          HZ1       LYS  62 187.190  -3.278   2.433
  457   2HZ   LYS  62          HZ2       LYS  62 187.061  -3.729   0.808
  458   3HZ   LYS  62          HZ3       LYS  62 187.723  -4.804   1.933
  459    H    THR  63           HN       THR  63 180.063  -5.459   2.217
  460    HA   THR  63           HA       THR  63 180.085  -2.751   3.029
  461    HB   THR  63           HB       THR  63 177.884  -4.529   1.966
  462    HG1  THR  63           1HG      THR  63 179.677  -3.923   0.587
  463   1HG2  THR  63          1HG2      THR  63 176.571  -2.570   1.506
  464   2HG2  THR  63          2HG2      THR  63 177.791  -1.537   2.252
  465   3HG2  THR  63          3HG2      THR  63 176.883  -2.683   3.238
  466    H    GLN  64           HN       GLN  64 178.769  -5.675   4.429
  467    HA   GLN  64           HA       GLN  64 177.023  -4.500   6.297
  468   1HB   GLN  64          HB2       GLN  64 178.567  -7.096   6.439
  469   2HB   GLN  64          HB1       GLN  64 177.297  -6.636   7.564
  470   1HG   GLN  64          HG2       GLN  64 175.736  -6.495   5.625
  471   2HG   GLN  64          HG1       GLN  64 177.021  -7.164   4.619
  472   1HE2  GLN  64          1HE2      GLN  64 174.431  -8.292   5.155
  473   2HE2  GLN  64          2HE2      GLN  64 174.695  -9.821   5.914
  474    H    ARG  65           HN       ARG  65 180.333  -5.733   6.769
  475    HA   ARG  65           HA       ARG  65 180.678  -4.866   9.357
  476   1HB   ARG  65          HB2       ARG  65 182.503  -5.593   7.133
  477   2HB   ARG  65          HB1       ARG  65 183.203  -4.759   8.513
  478   1HG   ARG  65          HG2       ARG  65 181.474  -7.158   8.934
  479   2HG   ARG  65          HG1       ARG  65 183.164  -7.346   8.460
  480   1HD   ARG  65          HD2       ARG  65 183.092  -7.445  10.833
  481   2HD   ARG  65          HD1       ARG  65 183.771  -5.877  10.400
  482    HE   ARG  65           HE       ARG  65 181.997  -4.885  11.430
  483   1HH1  ARG  65          HH11      ARG  65 181.132  -8.185  10.692
  484   2HH1  ARG  65          HH12      ARG  65 179.613  -8.104  11.520
  485   1HH2  ARG  65          HH21      ARG  65 180.000  -4.777  12.520
  486   2HH2  ARG  65          HH22      ARG  65 178.970  -6.169  12.558
  487    H    MET  66           HN       MET  66 181.695  -3.239   6.353
  488    HA   MET  66           HA       MET  66 182.769  -0.957   7.532
  489   1HB   MET  66          HB2       MET  66 182.914  -0.093   5.399
  490   2HB   MET  66          HB1       MET  66 182.786  -1.810   5.061
  491   1HG   MET  66          HG2       MET  66 181.246  -1.122   3.591
  492   2HG   MET  66          HG1       MET  66 180.194  -1.159   5.002
  493   1HE   MET  66          HE1       MET  66 182.596   1.055   2.893
  494   2HE   MET  66          HE2       MET  66 183.032   1.597   4.514
  495   3HE   MET  66          HE3       MET  66 182.188   2.688   3.418
  496    H    LEU  67           HN       LEU  67 179.452  -1.793   6.810
  497    HA   LEU  67           HA       LEU  67 178.373   0.815   7.177
  498   1HB   LEU  67          HB2       LEU  67 177.252  -1.951   7.017
  499   2HB   LEU  67          HB1       LEU  67 176.231  -0.647   7.588
  500    HG   LEU  67           HG       LEU  67 177.638  -0.660   4.919
  501   1HD1  LEU  67          HD11      LEU  67 175.408  -1.071   3.978
  502   2HD1  LEU  67          HD12      LEU  67 174.768  -1.268   5.610
  503   3HD1  LEU  67          HD13      LEU  67 175.961  -2.408   4.987
  504   1HD2  LEU  67          HD21      LEU  67 175.601   1.097   4.711
  505   2HD2  LEU  67          HD22      LEU  67 177.250   1.545   5.147
  506   3HD2  LEU  67          HD23      LEU  67 176.038   1.311   6.406
  507    H    SER  68           HN       SER  68 178.658  -2.046   9.258
  508    HA   SER  68           HA       SER  68 177.318  -1.059  11.490
  509   1HB   SER  68          HB2       SER  68 178.115  -3.431  11.134
  510   2HB   SER  68          HB1       SER  68 179.728  -2.880  11.585
  511    HG   SER  68           HG       SER  68 178.789  -2.183  13.593
  512    H    GLY  69           HN       GLY  69 180.712  -0.800  10.577
  513   1HA   GLY  69          HA2       GLY  69 181.776   0.387  12.800
  514   2HA   GLY  69          HA1       GLY  69 182.316   0.725  11.167
  515    H    PHE  70           HN       PHE  70 179.600   1.779  10.480
  516    HA   PHE  70           HA       PHE  70 179.934   4.422  11.730
  517   1HB   PHE  70          HB2       PHE  70 179.175   3.536   8.990
  518   2HB   PHE  70          HB1       PHE  70 178.437   5.012   9.602
  519    HD1  PHE  70           HD1      PHE  70 181.651   3.380   8.816
  520    HD2  PHE  70           HD2      PHE  70 179.659   7.025   9.740
  521    HE1  PHE  70           HE1      PHE  70 183.676   4.637   8.205
  522    HE2  PHE  70           HE2      PHE  70 181.680   8.289   9.130
  523    HZ   PHE  70           HZ       PHE  70 183.692   7.095   8.361
  524    H    CYS  71           HN       CYS  71 177.704   1.824  11.140
  525    HA   CYS  71           HA       CYS  71 175.229   2.910  11.425
  526   1HB   CYS  71          HB2       CYS  71 175.391   0.574  11.099
  527   2HB   CYS  71          HB1       CYS  71 176.376   0.357  12.538
  528    HA   PRO  72           HA       PRO  72 175.799   4.806  15.504
  529   1HB   PRO  72          HB2       PRO  72 174.014   6.771  15.204
  530   2HB   PRO  72          HB1       PRO  72 175.579   6.824  14.381
  531   1HG   PRO  72          HG2       PRO  72 172.896   6.049  13.301
  532   2HG   PRO  72          HG1       PRO  72 174.155   7.050  12.555
  533   1HD   PRO  72          HD2       PRO  72 173.756   4.386  11.985
  534   2HD   PRO  72          HD1       PRO  72 175.302   5.232  11.777
  535    H    HIS  73           HN       HIS  73 174.437   2.425  15.510
  536    HA   HIS  73           HA       HIS  73 172.619   2.716  17.600
  537   1HB   HIS  73          HB2       HIS  73 171.445   3.141  15.000
  538   2HB   HIS  73          HB1       HIS  73 170.738   1.720  15.756
  539    HD1  HIS  73           HD1      HIS  73 169.833   4.981  15.358
  540    HD2  HIS  73           HD2      HIS  73 170.344   2.677  18.778
  541    HE1  HIS  73           HE1      HIS  73 168.476   6.118  17.144
  542    HE2  HIS  73           HE2      HIS  73 168.729   4.657  19.180
  543    H    LYS  74           HN       LYS  74 170.956   0.564  17.329
  544    HA   LYS  74           HA       LYS  74 172.866  -1.632  17.391
  545   1HB   LYS  74          HB2       LYS  74 170.157  -1.131  18.491
  546   2HB   LYS  74          HB1       LYS  74 170.546  -2.799  18.094
  547   1HG   LYS  74          HG2       LYS  74 171.012  -2.256  20.438
  548   2HG   LYS  74          HG1       LYS  74 172.464  -2.743  19.560
  549   1HD   LYS  74          HD2       LYS  74 171.942   0.139  19.505
  550   2HD   LYS  74          HD1       LYS  74 172.235  -0.508  21.120
  551   1HE   LYS  74          HE2       LYS  74 174.028  -0.686  18.708
  552   2HE   LYS  74          HE1       LYS  74 174.338   0.167  20.219
  553   1HZ   LYS  74          HZ1       LYS  74 175.497  -1.714  20.631
  554   2HZ   LYS  74          HZ2       LYS  74 174.550  -2.677  19.613
  555   3HZ   LYS  74          HZ3       LYS  74 173.988  -2.271  21.156
  556    H    VAL  75           HN       VAL  75 172.636  -3.551  16.203
  557    HA   VAL  75           HA       VAL  75 170.577  -3.801  14.210
  558    HB   VAL  75           HB       VAL  75 173.445  -3.347  13.371
  559   1HG1  VAL  75          1HG1      VAL  75 172.968  -4.924  11.829
  560   2HG1  VAL  75          2HG1      VAL  75 172.104  -3.601  11.046
  561   3HG1  VAL  75          3HG1      VAL  75 171.225  -4.761  12.043
  562   1HG2  VAL  75          1HG2      VAL  75 172.221  -1.291  13.713
  563   2HG2  VAL  75          2HG2      VAL  75 170.890  -1.883  12.721
  564   3HG2  VAL  75          3HG2      VAL  75 172.460  -1.556  11.987
  565    H    SER  76           HN       SER  76 170.131  -5.791  15.115
  566    HA   SER  76           HA       SER  76 171.844  -7.894  14.412
  567   1HB   SER  76          HB2       SER  76 171.006  -8.709  16.869
  568   2HB   SER  76          HB1       SER  76 172.585  -8.158  16.383
  569    HG   SER  76           HG       SER  76 171.094  -7.072  18.204
  570    H    ALA  77           HN       ALA  77 170.748  -8.951  13.346
  571    HA   ALA  77           HA       ALA  77 169.037 -10.045  12.249
  572   1HB   ALA  77          HB1       ALA  77 168.399 -11.853  13.418
  573   2HB   ALA  77          HB2       ALA  77 167.775 -10.897  14.762
  574   3HB   ALA  77          HB3       ALA  77 169.504 -11.222  14.639
  575    H    GLY  78           HN       GLY  78 166.450 -10.591  12.721
  576   1HA   GLY  78          HA2       GLY  78 165.250  -7.901  12.883
  577   2HA   GLY  78          HA1       GLY  78 164.614  -9.226  11.921
  578    H    GLN  79           HN       GLN  79 165.126 -11.117  14.196
  579    HA   GLN  79           HA       GLN  79 163.978 -12.016  15.941
  580   1HB   GLN  79          HB2       GLN  79 163.145  -9.197  16.626
  581   2HB   GLN  79          HB1       GLN  79 163.248 -10.576  17.712
  582   1HG   GLN  79          HG2       GLN  79 165.524 -10.459  17.876
  583   2HG   GLN  79          HG1       GLN  79 165.708  -9.693  16.299
  584   1HE2  GLN  79          1HE2      GLN  79 166.605  -9.038  19.119
  585   2HE2  GLN  79          2HE2      GLN  79 166.156  -7.383  19.326
  586    H    PHE  80           HN       PHE  80 161.756 -12.318  16.853
  587    HA   PHE  80           HA       PHE  80 159.887 -12.650  14.799
  588   1HB   PHE  80          HB2       PHE  80 158.273 -13.160  16.620
  589   2HB   PHE  80          HB1       PHE  80 159.799 -14.021  16.792
  590    HD1  PHE  80           HD1      PHE  80 161.340 -13.480  18.579
  591    HD2  PHE  80           HD2      PHE  80 157.635 -11.427  18.172
  592    HE1  PHE  80           HE1      PHE  80 161.578 -12.604  20.866
  593    HE2  PHE  80           HE2      PHE  80 157.866 -10.546  20.458
  594    HZ   PHE  80           HZ       PHE  80 159.840 -11.135  21.808
  595    H    SER  81           HN       SER  81 160.007 -10.227  17.400
  596    HA   SER  81           HA       SER  81 159.090  -8.157  17.596
  597   1HB   SER  81          HB2       SER  81 159.330  -8.522  14.661
  598   2HB   SER  81          HB1       SER  81 158.258  -7.232  15.206
  599    HG   SER  81           HG       SER  81 160.922  -7.247  15.107
  600    H    SER  82           HN       SER  82 157.095  -9.205  14.858
  601    HA   SER  82           HA       SER  82 154.860  -9.570  14.644
  602   1HB   SER  82          HB2       SER  82 155.538 -11.066  16.782
  603   2HB   SER  82          HB1       SER  82 154.392  -9.965  17.547
  604    HG   SER  82           HG       SER  82 152.815 -10.647  16.155
  605    H    LEU  83           HN       LEU  83 155.922  -6.916  15.243
  606    HA   LEU  83           HA       LEU  83 153.467  -5.707  16.331
  607   1HB   LEU  83          HB2       LEU  83 156.305  -5.205  17.006
  608   2HB   LEU  83          HB1       LEU  83 155.292  -3.785  16.838
  609    HG   LEU  83           HG       LEU  83 155.334  -4.392  19.148
  610   1HD1  LEU  83          HD11      LEU  83 153.060  -3.971  17.776
  611   2HD1  LEU  83          HD12      LEU  83 153.125  -4.164  19.528
  612   3HD1  LEU  83          HD13      LEU  83 152.696  -5.535  18.505
  613   1HD2  LEU  83          HD21      LEU  83 156.014  -6.751  18.788
  614   2HD2  LEU  83          HD22      LEU  83 154.348  -7.127  18.351
  615   3HD2  LEU  83          HD23      LEU  83 154.727  -6.563  19.978
  616    H    HIS  84           HN       HIS  84 153.914  -6.295  13.613
  617    HA   HIS  84           HA       HIS  84 153.734  -5.352  11.553
  618   1HB   HIS  84          HB2       HIS  84 152.974  -3.064  13.339
  619   2HB   HIS  84          HB1       HIS  84 153.128  -2.810  11.604
  620    HD1  HIS  84           HD1      HIS  84 150.855  -4.127  14.165
  621    HD2  HIS  84           HD2      HIS  84 151.263  -4.365  10.037
  622    HE1  HIS  84           HE1      HIS  84 148.653  -5.001  13.321
  623    HE2  HIS  84           HE2      HIS  84 148.951  -5.213  10.828
  624    H    VAL  85           HN       VAL  85 156.330  -5.543  12.769
  625    HA   VAL  85           HA       VAL  85 157.879  -3.234  12.416
  626    HB   VAL  85           HB       VAL  85 159.770  -4.939  12.159
  627   1HG1  VAL  85          1HG1      VAL  85 159.934  -5.192  14.468
  628   2HG1  VAL  85          2HG1      VAL  85 158.186  -5.316  14.668
  629   3HG1  VAL  85          3HG1      VAL  85 158.920  -3.762  14.273
  630   1HG2  VAL  85          1HG2      VAL  85 157.755  -6.914  13.150
  631   2HG2  VAL  85          2HG2      VAL  85 159.379  -7.202  12.524
  632   3HG2  VAL  85          3HG2      VAL  85 158.081  -6.733  11.426
  633    H    ARG  86           HN       ARG  86 156.707  -5.632  10.178
  634    HA   ARG  86           HA       ARG  86 158.332  -4.449   8.031
  635   1HB   ARG  86          HB2       ARG  86 157.052  -7.138   8.384
  636   2HB   ARG  86          HB1       ARG  86 157.424  -6.545   6.772
  637   1HG   ARG  86          HG2       ARG  86 159.337  -7.687   7.203
  638   2HG   ARG  86          HG1       ARG  86 159.791  -6.113   7.858
  639   1HD   ARG  86          HD2       ARG  86 159.861  -6.879   9.967
  640   2HD   ARG  86          HD1       ARG  86 158.404  -7.851   9.764
  641    HE   ARG  86           HE       ARG  86 159.728  -9.663   9.353
  642   1HH1  ARG  86          HH11      ARG  86 161.636  -6.776   8.901
  643   2HH1  ARG  86          HH12      ARG  86 163.119  -7.641   8.676
  644   1HH2  ARG  86          HH21      ARG  86 161.678 -10.802   9.057
  645   2HH2  ARG  86          HH22      ARG  86 163.143  -9.926   8.764
  646    H    ASP  87           HN       ASP  87 157.393  -3.538   6.257
  647    HA   ASP  87           HA       ASP  87 154.470  -3.578   6.062
  648   1HB   ASP  87          HB2       ASP  87 156.202  -1.223   6.531
  649   2HB   ASP  87          HB1       ASP  87 154.925  -1.023   5.335
  650    H    THR  88           HN       THR  88 156.843  -1.633   4.330
  651    HA   THR  88           HA       THR  88 156.156  -3.110   1.876
  652    HB   THR  88           HB       THR  88 157.063  -0.717   0.953
  653    HG1  THR  88           1HG      THR  88 155.598  -0.155   3.314
  654   1HG2  THR  88          1HG2      THR  88 154.293  -1.619   1.610
  655   2HG2  THR  88          2HG2      THR  88 155.081  -1.479   0.038
  656   3HG2  THR  88          3HG2      THR  88 154.591  -0.027   0.911
  657    H    LYS  89           HN       LYS  89 157.778  -4.147   0.932
  658    HA   LYS  89           HA       LYS  89 160.521  -3.496   1.734
  659   1HB   LYS  89          HB2       LYS  89 159.138  -5.966   0.814
  660   2HB   LYS  89          HB1       LYS  89 160.840  -5.787   0.420
  661   1HG   LYS  89          HG2       LYS  89 161.182  -6.745   2.409
  662   2HG   LYS  89          HG1       LYS  89 160.839  -5.140   3.057
  663   1HD   LYS  89          HD2       LYS  89 158.360  -5.941   2.981
  664   2HD   LYS  89          HD1       LYS  89 159.076  -7.553   2.931
  665   1HE   LYS  89          HE2       LYS  89 159.353  -5.458   5.072
  666   2HE   LYS  89          HE1       LYS  89 158.659  -7.073   5.212
  667   1HZ   LYS  89          HZ1       LYS  89 160.850  -8.013   4.845
  668   2HZ   LYS  89          HZ2       LYS  89 160.875  -6.965   6.172
  669   3HZ   LYS  89          HZ3       LYS  89 161.520  -6.466   4.690
  670    H    ILE  90           HN       ILE  90 162.201  -3.893  -0.021
  671    HA   ILE  90           HA       ILE  90 161.217  -2.866  -2.600
  672    HB   ILE  90           HB       ILE  90 162.935  -1.338  -2.813
  673   1HG1  ILE  90          2HG1      ILE  90 164.499  -2.602  -0.552
  674   2HG1  ILE  90          1HG1      ILE  90 164.750  -3.014  -2.245
  675   1HG2  ILE  90          1HG2      ILE  90 161.366  -1.040  -0.722
  676   2HG2  ILE  90          2HG2      ILE  90 162.680   0.090  -1.051
  677   3HG2  ILE  90          3HG2      ILE  90 162.891  -1.181   0.155
  678   1HD1  ILE  90          HD11      ILE  90 166.104  -1.098  -0.898
  679   2HD1  ILE  90          HD12      ILE  90 164.840  -0.148  -1.678
  680   3HD1  ILE  90          HD13      ILE  90 165.913  -1.155  -2.650
  681    H    GLU  91           HN       GLU  91 162.860  -3.227  -4.396
  682    HA   GLU  91           HA       GLU  91 163.427  -6.007  -4.539
  683   1HB   GLU  91          HB2       GLU  91 164.491  -3.975  -6.474
  684   2HB   GLU  91          HB1       GLU  91 163.956  -5.615  -6.775
  685   1HG   GLU  91          HG2       GLU  91 162.259  -3.202  -6.253
  686   2HG   GLU  91          HG1       GLU  91 162.342  -4.176  -7.719
  687    H    VAL  92           HN       VAL  92 165.304  -7.066  -4.287
  688    HA   VAL  92           HA       VAL  92 167.353  -6.115  -2.719
  689    HB   VAL  92           HB       VAL  92 168.612  -7.996  -4.396
  690   1HG1  VAL  92          1HG1      VAL  92 169.102  -8.231  -2.189
  691   2HG1  VAL  92          2HG1      VAL  92 167.894  -9.505  -2.346
  692   3HG1  VAL  92          3HG1      VAL  92 167.442  -7.940  -1.671
  693   1HG2  VAL  92          1HG2      VAL  92 166.398  -8.437  -5.403
  694   2HG2  VAL  92          2HG2      VAL  92 165.781  -8.854  -3.804
  695   3HG2  VAL  92          3HG2      VAL  92 167.051  -9.831  -4.541
  696    H    ALA  93           HN       ALA  93 167.224  -6.175  -6.265
  697    HA   ALA  93           HA       ALA  93 169.815  -5.269  -6.763
  698   1HB   ALA  93          HB1       ALA  93 168.435  -6.162  -8.531
  699   2HB   ALA  93          HB2       ALA  93 168.939  -4.525  -8.951
  700   3HB   ALA  93          HB3       ALA  93 167.302  -4.821  -8.367
  701    H    GLN  94           HN       GLN  94 166.808  -3.357  -6.665
  702    HA   GLN  94           HA       GLN  94 167.994  -0.843  -6.908
  703   1HB   GLN  94          HB2       GLN  94 165.404  -1.847  -6.569
  704   2HB   GLN  94          HB1       GLN  94 165.654  -0.782  -5.193
  705   1HG   GLN  94          HG2       GLN  94 166.194   0.055  -8.025
  706   2HG   GLN  94          HG1       GLN  94 164.629   0.259  -7.239
  707   1HE2  GLN  94          1HE2      GLN  94 168.028   1.130  -7.081
  708   2HE2  GLN  94          2HE2      GLN  94 167.803   2.605  -6.211
  709    H    PHE  95           HN       PHE  95 167.590  -2.942  -4.154
  710    HA   PHE  95           HA       PHE  95 168.058  -1.071  -2.109
  711   1HB   PHE  95          HB2       PHE  95 167.144  -3.317  -1.697
  712   2HB   PHE  95          HB1       PHE  95 168.694  -4.025  -2.146
  713    HD1  PHE  95           HD1      PHE  95 170.683  -3.632  -0.709
  714    HD2  PHE  95           HD2      PHE  95 166.772  -2.432   0.445
  715    HE1  PHE  95           HE1      PHE  95 171.440  -3.430   1.624
  716    HE2  PHE  95           HE2      PHE  95 167.516  -2.223   2.779
  717    HZ   PHE  95           HZ       PHE  95 169.855  -2.724   3.373
  718    H    VAL  96           HN       VAL  96 170.246  -3.244  -3.821
  719    HA   VAL  96           HA       VAL  96 172.602  -2.490  -2.483
  720    HB   VAL  96           HB       VAL  96 172.251  -3.575  -5.284
  721   1HG1  VAL  96          1HG1      VAL  96 174.730  -4.367  -4.318
  722   2HG1  VAL  96          2HG1      VAL  96 174.608  -2.664  -3.876
  723   3HG1  VAL  96          3HG1      VAL  96 174.418  -3.154  -5.559
  724   1HG2  VAL  96          1HG2      VAL  96 172.148  -5.651  -4.417
  725   2HG2  VAL  96          2HG2      VAL  96 171.606  -4.811  -2.965
  726   3HG2  VAL  96          3HG2      VAL  96 173.297  -5.284  -3.130
  727    H    LYS  97           HN       LYS  97 171.459  -1.539  -5.720
  728    HA   LYS  97           HA       LYS  97 173.348   0.359  -6.333
  729   1HB   LYS  97          HB2       LYS  97 170.399   0.495  -6.977
  730   2HB   LYS  97          HB1       LYS  97 171.675   1.358  -7.822
  731   1HG   LYS  97          HG2       LYS  97 172.564  -0.628  -8.720
  732   2HG   LYS  97          HG1       LYS  97 171.586  -1.634  -7.653
  733   1HD   LYS  97          HD2       LYS  97 170.937  -1.145 -10.195
  734   2HD   LYS  97          HD1       LYS  97 169.734  -1.436  -8.941
  735   1HE   LYS  97          HE2       LYS  97 169.249   0.861  -8.742
  736   2HE   LYS  97          HE1       LYS  97 170.704   1.327  -9.623
  737   1HZ   LYS  97          HZ1       LYS  97 168.440   1.396 -10.815
  738   2HZ   LYS  97          HZ2       LYS  97 168.621  -0.280 -10.949
  739   3HZ   LYS  97          HZ3       LYS  97 169.771   0.752 -11.637
  740    H    ASP  98           HN       ASP  98 170.276   0.928  -4.581
  741    HA   ASP  98           HA       ASP  98 170.679   3.665  -4.214
  742   1HB   ASP  98          HB2       ASP  98 168.872   1.645  -3.082
  743   2HB   ASP  98          HB1       ASP  98 169.146   3.058  -2.067
  744    H    LEU  99           HN       LEU  99 171.402   0.981  -2.208
  745    HA   LEU  99           HA       LEU  99 172.383   2.138   0.069
  746   1HB   LEU  99          HB2       LEU  99 172.397  -0.111   0.219
  747   2HB   LEU  99          HB1       LEU  99 172.648  -0.266  -1.514
  748    HG   LEU  99           HG       LEU  99 175.148   0.485  -0.650
  749   1HD1  LEU  99          HD11      LEU  99 174.210   0.229   1.710
  750   2HD1  LEU  99          HD12      LEU  99 175.718  -0.606   1.338
  751   3HD1  LEU  99          HD13      LEU  99 174.201  -1.504   1.384
  752   1HD2  LEU  99          HD21      LEU  99 174.821  -1.263  -2.217
  753   2HD2  LEU  99          HD22      LEU  99 173.943  -2.242  -1.042
  754   3HD2  LEU  99          HD23      LEU  99 175.673  -1.966  -0.843
  755    H    LEU 100           HN       LEU 100 173.951   1.632  -3.045
  756    HA   LEU 100           HA       LEU 100 176.506   2.653  -2.341
  757   1HB   LEU 100          HB2       LEU 100 176.229   1.161  -4.229
  758   2HB   LEU 100          HB1       LEU 100 175.124   2.277  -4.996
  759    HG   LEU 100           HG       LEU 100 177.643   2.062  -5.763
  760   1HD1  LEU 100          HD11      LEU 100 176.015   3.461  -6.844
  761   2HD1  LEU 100          HD12      LEU 100 177.501   4.379  -6.601
  762   3HD1  LEU 100          HD13      LEU 100 176.116   4.648  -5.544
  763   1HD2  LEU 100          HD21      LEU 100 178.088   4.464  -4.129
  764   2HD2  LEU 100          HD22      LEU 100 179.213   3.205  -4.628
  765   3HD2  LEU 100          HD23      LEU 100 178.144   2.936  -3.255
  766    H    LEU 101           HN       LEU 101 173.614   4.014  -3.787
  767    HA   LEU 101           HA       LEU 101 174.508   6.503  -4.588
  768   1HB   LEU 101          HB2       LEU 101 172.307   5.797  -5.129
  769   2HB   LEU 101          HB1       LEU 101 171.884   5.571  -3.458
  770    HG   LEU 101           HG       LEU 101 171.002   7.633  -4.841
  771   1HD1  LEU 101          HD11      LEU 101 170.326   8.509  -2.854
  772   2HD1  LEU 101          HD12      LEU 101 171.916   8.346  -2.109
  773   3HD1  LEU 101          HD13      LEU 101 170.878   6.930  -2.292
  774   1HD2  LEU 101          HD21      LEU 101 173.527   8.270  -5.171
  775   2HD2  LEU 101          HD22      LEU 101 173.330   8.975  -3.568
  776   3HD2  LEU 101          HD23      LEU 101 172.307   9.516  -4.898
  777    H    HIS 102           HN       HIS 102 172.719   5.941  -1.613
  778    HA   HIS 102           HA       HIS 102 173.388   8.400  -0.425
  779   1HB   HIS 102          HB2       HIS 102 171.485   6.826   0.196
  780   2HB   HIS 102          HB1       HIS 102 172.669   5.906   1.114
  781    HD2  HIS 102           HD2      HIS 102 173.958   9.111   1.961
  782    HE1  HIS 102           HE1      HIS 102 170.525   8.823   4.415
  783    HE2  HIS 102           HE2      HIS 102 172.783   9.935   4.119
  784    H    LEU 103           HN       LEU 103 174.818   5.161   0.163
  785    HA   LEU 103           HA       LEU 103 176.539   5.888   2.179
  786   1HB   LEU 103          HB2       LEU 103 176.757   3.834   0.009
  787   2HB   LEU 103          HB1       LEU 103 177.976   4.003   1.251
  788    HG   LEU 103           HG       LEU 103 175.067   3.466   1.809
  789   1HD1  LEU 103          HD11      LEU 103 175.891   1.189   2.408
  790   2HD1  LEU 103          HD12      LEU 103 177.422   1.606   1.637
  791   3HD1  LEU 103          HD13      LEU 103 175.937   1.567   0.688
  792   1HD2  LEU 103          HD21      LEU 103 175.826   2.969   4.060
  793   2HD2  LEU 103          HD22      LEU 103 176.271   4.615   3.611
  794   3HD2  LEU 103          HD23      LEU 103 177.489   3.339   3.601
  795    H    LYS 104           HN       LYS 104 177.242   5.947  -1.339
  796    HA   LYS 104           HA       LYS 104 179.862   6.935  -1.019
  797   1HB   LYS 104          HB2       LYS 104 179.937   7.167  -3.327
  798   2HB   LYS 104          HB1       LYS 104 178.719   5.921  -3.116
  799   1HG   LYS 104          HG2       LYS 104 177.067   7.948  -3.180
  800   2HG   LYS 104          HG1       LYS 104 178.410   8.747  -3.996
  801   1HD   LYS 104          HD2       LYS 104 177.305   6.078  -4.842
  802   2HD   LYS 104          HD1       LYS 104 176.742   7.614  -5.503
  803   1HE   LYS 104          HE2       LYS 104 178.340   7.106  -7.048
  804   2HE   LYS 104          HE1       LYS 104 179.327   7.989  -5.885
  805   1HZ   LYS 104          HZ1       LYS 104 180.602   6.156  -6.078
  806   2HZ   LYS 104          HZ2       LYS 104 179.321   5.154  -6.540
  807   3HZ   LYS 104          HZ3       LYS 104 179.544   5.541  -4.909
  808    H    LYS 105           HN       LYS 105 176.742   8.593  -1.445
  809    HA   LYS 105           HA       LYS 105 177.768  11.183  -1.693
  810   1HB   LYS 105          HB2       LYS 105 175.209   9.914  -1.351
  811   2HB   LYS 105          HB1       LYS 105 175.294  11.362  -0.358
  812   1HG   LYS 105          HG2       LYS 105 175.198  12.713  -2.134
  813   2HG   LYS 105          HG1       LYS 105 176.366  11.735  -3.028
  814   1HD   LYS 105          HD2       LYS 105 174.688  10.242  -3.768
  815   2HD   LYS 105          HD1       LYS 105 173.493  10.926  -2.663
  816   1HE   LYS 105          HE2       LYS 105 174.664  12.152  -5.146
  817   2HE   LYS 105          HE1       LYS 105 172.973  11.795  -4.796
  818   1HZ   LYS 105          HZ1       LYS 105 174.658  13.940  -3.648
  819   2HZ   LYS 105          HZ2       LYS 105 173.194  13.474  -2.943
  820   3HZ   LYS 105          HZ3       LYS 105 173.214  14.095  -4.516
  821    H    LEU 106           HN       LEU 106 177.287   9.170   1.113
  822    HA   LEU 106           HA       LEU 106 177.579  11.342   2.984
  823   1HB   LEU 106          HB2       LEU 106 177.131   8.416   3.164
  824   2HB   LEU 106          HB1       LEU 106 177.865   9.207   4.547
  825    HG   LEU 106           HG       LEU 106 175.242  10.065   3.329
  826   1HD1  LEU 106          HD11      LEU 106 175.791   8.265   5.683
  827   2HD1  LEU 106          HD12      LEU 106 174.966   7.836   4.184
  828   3HD1  LEU 106          HD13      LEU 106 174.221   8.975   5.306
  829   1HD2  LEU 106          HD21      LEU 106 175.077  11.602   4.999
  830   2HD2  LEU 106          HD22      LEU 106 176.832  11.569   4.829
  831   3HD2  LEU 106          HD23      LEU 106 176.054  10.655   6.121
  832    H    PHE 107           HN       PHE 107 179.437   8.385   2.421
  833    HA   PHE 107           HA       PHE 107 181.677   9.085   3.901
  834   1HB   PHE 107          HB2       PHE 107 180.945   6.896   2.439
  835   2HB   PHE 107          HB1       PHE 107 182.270   7.526   1.468
  836    HD1  PHE 107           HD1      PHE 107 184.295   8.390   3.125
  837    HD2  PHE 107           HD2      PHE 107 181.544   5.234   3.882
  838    HE1  PHE 107           HE1      PHE 107 185.906   7.363   4.675
  839    HE2  PHE 107           HE2      PHE 107 183.149   4.200   5.433
  840    HZ   PHE 107           HZ       PHE 107 185.333   5.266   5.832
  841    H    ARG 108           HN       ARG 108 180.635  10.200   0.810
  842    HA   ARG 108           HA       ARG 108 183.238  11.296   0.114
  843   1HB   ARG 108          HB2       ARG 108 181.692  10.315  -1.601
  844   2HB   ARG 108          HB1       ARG 108 180.598  11.660  -1.308
  845   1HG   ARG 108          HG2       ARG 108 182.123  13.226  -2.184
  846   2HG   ARG 108          HG1       ARG 108 183.450  12.062  -2.155
  847   1HD   ARG 108          HD2       ARG 108 182.815  11.092  -4.092
  848   2HD   ARG 108          HD1       ARG 108 181.097  11.270  -3.739
  849    HE   ARG 108           HE       ARG 108 182.716  13.026  -5.292
  850   1HH1  ARG 108          HH11      ARG 108 179.980  12.938  -3.127
  851   2HH1  ARG 108          HH12      ARG 108 179.262  14.373  -3.775
  852   1HH2  ARG 108          HH21      ARG 108 181.772  14.914  -6.146
  853   2HH2  ARG 108          HH22      ARG 108 180.279  15.496  -5.490
  854    H    GLU 109           HN       GLU 109 180.004  12.465   1.015
  855    HA   GLU 109           HA       GLU 109 180.591  15.213   0.827
  856   1HB   GLU 109          HB2       GLU 109 178.503  13.607   2.245
  857   2HB   GLU 109          HB1       GLU 109 178.662  15.319   2.612
  858   1HG   GLU 109          HG2       GLU 109 178.568  14.648  -0.247
  859   2HG   GLU 109          HG1       GLU 109 177.094  14.321   0.663
  860    H    GLY 110           HN       GLY 110 181.369  12.852   3.237
  861   1HA   GLY 110          HA2       GLY 110 181.848  14.740   5.347
  862   2HA   GLY 110          HA1       GLY 110 182.286  13.042   5.354
  863    H    ARG 111           HN       ARG 111 183.901  12.889   3.156
  864    HA   ARG 111           HA       ARG 111 186.161  14.591   3.940
  865   1HB   ARG 111          HB2       ARG 111 185.933  11.728   3.187
  866   2HB   ARG 111          HB1       ARG 111 187.365  12.579   2.633
  867   1HG   ARG 111          HG2       ARG 111 188.073  13.041   4.823
  868   2HG   ARG 111          HG1       ARG 111 186.495  12.631   5.500
  869   1HD   ARG 111          HD2       ARG 111 187.041  10.291   4.383
  870   2HD   ARG 111          HD1       ARG 111 188.699  10.857   4.587
  871    HE   ARG 111           HE       ARG 111 187.618  11.277   7.023
  872   1HH1  ARG 111          HH11      ARG 111 187.705   8.493   4.921
  873   2HH1  ARG 111          HH12      ARG 111 187.672   7.353   6.224
  874   1HH2  ARG 111          HH21      ARG 111 187.574   9.779   8.737
  875   2HH2  ARG 111          HH22      ARG 111 187.597   8.082   8.390
  876    H    PHE 112           HN       PHE 112 184.335  15.619   2.210
  877    HA   PHE 112           HA       PHE 112 185.217  15.251  -0.512
  878   1HB   PHE 112          HB2       PHE 112 183.300  16.324  -1.076
  879   2HB   PHE 112          HB1       PHE 112 182.855  15.963   0.583
  880    HD1  PHE 112           HD1      PHE 112 182.459  17.662   2.139
  881    HD2  PHE 112           HD2      PHE 112 184.210  18.591  -1.623
  882    HE1  PHE 112           HE1      PHE 112 182.140  20.062   2.591
  883    HE2  PHE 112           HE2      PHE 112 183.897  20.994  -1.182
  884    HZ   PHE 112           HZ       PHE 112 182.861  21.731   0.928
  885    H    ASN 113           HN       ASN 113 185.620  17.531   2.098
  886    HA   ASN 113           HA       ASN 113 188.037  18.567   1.043
  887   1HB   ASN 113          HB2       ASN 113 186.166  19.700  -0.357
  888   2HB   ASN 113          HB1       ASN 113 185.861  20.640   1.101
  889   1HD2  ASN 113          HD21      ASN 113 188.761  19.513  -0.612
  890   2HD2  ASN 113          HD22      ASN 113 189.525  21.061  -0.684
  Start of MODEL   19
    1   1H    GLY   1          HT1       GLY   1 186.162   2.702 -12.822
    2   2H    GLY   1          HT2       GLY   1 185.291   4.064 -12.324
    3   3H    GLY   1          HT3       GLY   1 184.779   2.519 -11.865
    4   1HA   GLY   1          HA1       GLY   1 186.202   4.112 -10.287
    5   2HA   GLY   1          HA2       GLY   1 186.228   2.358 -10.180
    6    H    GLY   2           HN       GLY   2 188.369   3.664  -9.226
    7   1HA   GLY   2          HA2       GLY   2 190.428   4.272 -11.026
    8   2HA   GLY   2          HA1       GLY   2 190.658   3.757  -9.362
    9    HA   PRO   3           HA       PRO   3 191.839   0.516 -12.833
   10   1HB   PRO   3          HB2       PRO   3 194.566   1.358 -12.000
   11   2HB   PRO   3          HB1       PRO   3 193.972   0.892 -13.597
   12   1HG   PRO   3          HG2       PRO   3 194.434   3.448 -13.012
   13   2HG   PRO   3          HG1       PRO   3 193.042   2.977 -14.005
   14   1HD   PRO   3          HD2       PRO   3 193.132   3.818 -11.142
   15   2HD   PRO   3          HD1       PRO   3 191.898   4.143 -12.378
   16    H    VAL   4           HN       VAL   4 193.993   1.227 -10.120
   17    HA   VAL   4           HA       VAL   4 194.632  -1.288  -9.338
   18    HB   VAL   4           HB       VAL   4 195.238   1.112  -8.369
   19   1HG1  VAL   4          1HG1      VAL   4 194.313   1.675  -6.323
   20   2HG1  VAL   4          2HG1      VAL   4 193.657   0.059  -6.058
   21   3HG1  VAL   4          3HG1      VAL   4 192.909   1.132  -7.241
   22   1HG2  VAL   4          1HG2      VAL   4 195.418  -1.287  -6.576
   23   2HG2  VAL   4          2HG2      VAL   4 196.568   0.038  -6.760
   24   3HG2  VAL   4          3HG2      VAL   4 196.356  -1.134  -8.061
   25    HA   PRO   5           HA       PRO   5 190.845  -3.105  -7.890
   26   1HB   PRO   5          HB2       PRO   5 191.855  -5.253  -6.612
   27   2HB   PRO   5          HB1       PRO   5 191.858  -5.118  -8.375
   28   1HG   PRO   5          HG2       PRO   5 194.077  -4.600  -6.432
   29   2HG   PRO   5          HG1       PRO   5 194.127  -5.456  -7.984
   30   1HD   PRO   5          HD2       PRO   5 194.931  -2.873  -7.683
   31   2HD   PRO   5          HD1       PRO   5 194.254  -3.507  -9.196
   32    HA   PRO   6           HA       PRO   6 190.962  -1.213  -3.750
   33   1HB   PRO   6          HB2       PRO   6 188.281  -0.901  -3.520
   34   2HB   PRO   6          HB1       PRO   6 189.295   0.211  -4.447
   35   1HG   PRO   6          HG2       PRO   6 187.596  -2.057  -5.415
   36   2HG   PRO   6          HG1       PRO   6 187.775  -0.427  -6.090
   37   1HD   PRO   6          HD2       PRO   6 189.060  -2.580  -7.115
   38   2HD   PRO   6          HD1       PRO   6 189.753  -0.946  -7.151
   39    H    SER   7           HN       SER   7 191.681  -3.462  -3.146
   40    HA   SER   7           HA       SER   7 189.577  -5.261  -2.272
   41   1HB   SER   7          HB2       SER   7 192.441  -5.734  -1.578
   42   2HB   SER   7          HB1       SER   7 191.203  -6.882  -2.087
   43    HG   SER   7           HG       SER   7 191.453  -6.200  -4.187
   44    H    THR   8           HN       THR   8 192.225  -3.409  -0.784
   45    HA   THR   8           HA       THR   8 191.596  -4.087   1.879
   46    HB   THR   8           HB       THR   8 192.989  -1.601   0.872
   47    HG1  THR   8           1HG      THR   8 194.402  -3.004   0.224
   48   1HG2  THR   8          1HG2      THR   8 193.434  -1.059   2.964
   49   2HG2  THR   8          2HG2      THR   8 194.036  -2.681   3.306
   50   3HG2  THR   8          3HG2      THR   8 192.319  -2.321   3.487
   51    H    ALA   9           HN       ALA   9 190.512  -1.510  -0.239
   52    HA   ALA   9           HA       ALA   9 189.154  -0.018   1.772
   53   1HB   ALA   9          HB1       ALA   9 189.339   0.050  -1.180
   54   2HB   ALA   9          HB2       ALA   9 189.532   1.345   0.001
   55   3HB   ALA   9          HB3       ALA   9 187.918   0.797  -0.450
   56    H    LEU  10           HN       LEU  10 188.245  -2.615  -0.411
   57    HA   LEU  10           HA       LEU  10 185.447  -2.453   0.020
   58   1HB   LEU  10          HB2       LEU  10 187.273  -4.097  -1.455
   59   2HB   LEU  10          HB1       LEU  10 186.157  -5.127  -0.582
   60    HG   LEU  10           HG       LEU  10 185.296  -4.714  -2.793
   61   1HD1  LEU  10          HD11      LEU  10 183.915  -3.794  -0.395
   62   2HD1  LEU  10          HD12      LEU  10 183.366  -4.867  -1.682
   63   3HD1  LEU  10          HD13      LEU  10 183.260  -3.119  -1.888
   64   1HD2  LEU  10          HD21      LEU  10 186.026  -1.924  -2.146
   65   2HD2  LEU  10          HD22      LEU  10 184.556  -2.161  -3.092
   66   3HD2  LEU  10          HD23      LEU  10 186.094  -2.791  -3.680
   67    H    ARG  11           HN       ARG  11 187.954  -4.584   1.391
   68    HA   ARG  11           HA       ARG  11 186.338  -6.061   3.096
   69   1HB   ARG  11          HB2       ARG  11 188.326  -7.032   3.409
   70   2HB   ARG  11          HB1       ARG  11 189.142  -5.659   2.682
   71   1HG   ARG  11          HG2       ARG  11 190.096  -5.992   4.819
   72   2HG   ARG  11          HG1       ARG  11 189.084  -4.553   4.933
   73   1HD   ARG  11          HD2       ARG  11 187.603  -5.542   6.335
   74   2HD   ARG  11          HD1       ARG  11 187.785  -7.125   5.580
   75    HE   ARG  11           HE       ARG  11 189.324  -7.638   7.177
   76   1HH1  ARG  11          HH11      ARG  11 189.096  -4.162   6.963
   77   2HH1  ARG  11          HH12      ARG  11 190.167  -3.884   8.295
   78   1HH2  ARG  11          HH21      ARG  11 190.733  -7.275   8.929
   79   2HH2  ARG  11          HH22      ARG  11 191.097  -5.651   9.411
   80    H    GLU  12           HN       GLU  12 187.972  -2.971   3.666
   81    HA   GLU  12           HA       GLU  12 187.176  -2.652   6.345
   82   1HB   GLU  12          HB2       GLU  12 188.201  -0.865   4.199
   83   2HB   GLU  12          HB1       GLU  12 187.408  -0.100   5.569
   84   1HG   GLU  12          HG2       GLU  12 188.971  -1.392   7.055
   85   2HG   GLU  12          HG1       GLU  12 189.846  -1.855   5.596
   86    H    LEU  13           HN       LEU  13 185.550  -2.097   3.304
   87    HA   LEU  13           HA       LEU  13 183.461  -0.476   4.367
   88   1HB   LEU  13          HB2       LEU  13 183.109  -0.175   2.190
   89   2HB   LEU  13          HB1       LEU  13 184.290  -1.414   1.821
   90    HG   LEU  13           HG       LEU  13 182.437  -3.107   2.026
   91   1HD1  LEU  13          HD11      LEU  13 180.408  -2.516   2.699
   92   2HD1  LEU  13          HD12      LEU  13 180.309  -1.267   1.459
   93   3HD1  LEU  13          HD13      LEU  13 181.028  -0.898   3.025
   94   1HD2  LEU  13          HD21      LEU  13 181.932  -2.918  -0.197
   95   2HD2  LEU  13          HD22      LEU  13 183.323  -1.838  -0.105
   96   3HD2  LEU  13          HD23      LEU  13 181.689  -1.174  -0.109
   97    H    ILE  14           HN       ILE  14 184.041  -3.896   3.982
   98    HA   ILE  14           HA       ILE  14 181.383  -4.727   4.582
   99    HB   ILE  14           HB       ILE  14 183.982  -6.039   4.147
  100   1HG1  ILE  14          2HG1      ILE  14 182.616  -7.532   2.802
  101   2HG1  ILE  14          1HG1      ILE  14 181.147  -6.871   3.511
  102   1HG2  ILE  14          1HG2      ILE  14 183.687  -7.041   6.249
  103   2HG2  ILE  14          2HG2      ILE  14 183.051  -8.216   5.097
  104   3HG2  ILE  14          3HG2      ILE  14 181.945  -7.202   6.025
  105   1HD1  ILE  14          HD11      ILE  14 183.084  -5.237   1.898
  106   2HD1  ILE  14          HD12      ILE  14 181.459  -4.790   2.417
  107   3HD1  ILE  14          HD13      ILE  14 181.682  -6.057   1.212
  108    H    GLU  15           HN       GLU  15 184.298  -4.143   6.480
  109    HA   GLU  15           HA       GLU  15 183.258  -5.249   8.894
  110   1HB   GLU  15          HB2       GLU  15 185.428  -3.164   8.650
  111   2HB   GLU  15          HB1       GLU  15 185.178  -4.296   9.972
  112   1HG   GLU  15          HG2       GLU  15 185.638  -5.405   7.262
  113   2HG   GLU  15          HG1       GLU  15 187.007  -4.688   8.110
  114    H    GLU  16           HN       GLU  16 183.262  -2.062   7.424
  115    HA   GLU  16           HA       GLU  16 182.294  -0.638   9.684
  116   1HB   GLU  16          HB2       GLU  16 183.431   0.155   7.479
  117   2HB   GLU  16          HB1       GLU  16 181.799   0.176   6.851
  118   1HG   GLU  16          HG2       GLU  16 182.064   1.524   9.421
  119   2HG   GLU  16          HG1       GLU  16 183.043   2.241   8.142
  120    H    LEU  17           HN       LEU  17 180.765  -2.083   6.863
  121    HA   LEU  17           HA       LEU  17 178.129  -1.208   7.490
  122   1HB   LEU  17          HB2       LEU  17 179.257  -3.256   5.597
  123   2HB   LEU  17          HB1       LEU  17 177.535  -3.015   5.776
  124    HG   LEU  17           HG       LEU  17 179.052  -1.774   3.923
  125   1HD1  LEU  17          HD11      LEU  17 176.839  -1.586   3.518
  126   2HD1  LEU  17          HD12      LEU  17 177.110   0.039   4.150
  127   3HD1  LEU  17          HD13      LEU  17 176.449  -1.216   5.198
  128   1HD2  LEU  17          HD21      LEU  17 180.309  -0.490   5.584
  129   2HD2  LEU  17          HD22      LEU  17 178.803   0.194   6.195
  130   3HD2  LEU  17          HD23      LEU  17 179.337   0.562   4.556
  131    H    VAL  18           HN       VAL  18 180.055  -4.044   8.145
  132    HA   VAL  18           HA       VAL  18 177.924  -5.620   9.111
  133    HB   VAL  18           HB       VAL  18 180.463  -6.200   8.443
  134   1HG1  VAL  18          1HG1      VAL  18 181.857  -6.717  10.222
  135   2HG1  VAL  18          2HG1      VAL  18 180.550  -6.603  11.403
  136   3HG1  VAL  18          3HG1      VAL  18 181.194  -5.142  10.654
  137   1HG2  VAL  18          1HG2      VAL  18 178.292  -7.615   8.979
  138   2HG2  VAL  18          2HG2      VAL  18 179.237  -8.045  10.405
  139   3HG2  VAL  18          3HG2      VAL  18 179.877  -8.366   8.793
  140    H    ASN  19           HN       ASN  19 180.151  -3.346  10.495
  141    HA   ASN  19           HA       ASN  19 179.570  -3.821  13.223
  142   1HB   ASN  19          HB2       ASN  19 181.580  -2.607  12.448
  143   2HB   ASN  19          HB1       ASN  19 180.556  -1.277  11.915
  144   1HD2  ASN  19          HD21      ASN  19 179.707   0.122  13.403
  145   2HD2  ASN  19          HD22      ASN  19 180.176   0.131  15.066
  146    H    ILE  20           HN       ILE  20 178.339  -1.342  10.939
  147    HA   ILE  20           HA       ILE  20 176.601  -0.116  12.749
  148    HB   ILE  20           HB       ILE  20 175.578   0.907  10.845
  149   1HG1  ILE  20          2HG1      ILE  20 176.959  -1.235   9.243
  150   2HG1  ILE  20          1HG1      ILE  20 175.223  -0.957   9.370
  151   1HG2  ILE  20          1HG2      ILE  20 177.347   2.199  10.457
  152   2HG2  ILE  20          2HG2      ILE  20 178.242   0.880   9.703
  153   3HG2  ILE  20          3HG2      ILE  20 178.248   1.059  11.457
  154   1HD1  ILE  20          HD11      ILE  20 175.779   1.345   8.324
  155   2HD1  ILE  20          HD12      ILE  20 175.734  -0.089   7.299
  156   3HD1  ILE  20          HD13      ILE  20 177.282   0.564   7.834
  157    H    THR  21           HN       THR  21 176.140  -2.853  10.552
  158    HA   THR  21           HA       THR  21 173.325  -3.053  11.077
  159    HB   THR  21           HB       THR  21 174.411  -3.851   8.972
  160    HG1  THR  21           1HG      THR  21 172.969  -5.431   8.752
  161   1HG2  THR  21          1HG2      THR  21 175.346  -6.167  10.647
  162   2HG2  THR  21          2HG2      THR  21 176.387  -4.919   9.963
  163   3HG2  THR  21          3HG2      THR  21 175.488  -5.999   8.897
  164    H    GLN  22           HN       GLN  22 176.229  -4.382  12.477
  165    HA   GLN  22           HA       GLN  22 174.792  -6.360  14.025
  166   1HB   GLN  22          HB2       GLN  22 177.680  -5.573  13.804
  167   2HB   GLN  22          HB1       GLN  22 177.128  -6.648  15.081
  168   1HG   GLN  22          HG2       GLN  22 176.214  -8.160  13.342
  169   2HG   GLN  22          HG1       GLN  22 176.926  -7.114  12.116
  170   1HE2  GLN  22          1HE2      GLN  22 179.342  -6.508  13.206
  171   2HE2  GLN  22          2HE2      GLN  22 180.300  -7.938  13.357
  172    H    ASN  23           HN       ASN  23 177.193  -4.026  15.135
  173    HA   ASN  23           HA       ASN  23 176.474  -3.863  17.755
  174   1HB   ASN  23          HB2       ASN  23 177.871  -2.076  15.881
  175   2HB   ASN  23          HB1       ASN  23 177.200  -1.271  17.295
  176   1HD2  ASN  23          HD21      ASN  23 179.885  -2.674  16.125
  177   2HD2  ASN  23          HD22      ASN  23 180.632  -3.180  17.598
  178    H    GLN  24           HN       GLN  24 175.602  -1.151  15.619
  179    HA   GLN  24           HA       GLN  24 173.587  -0.161  17.253
  180   1HB   GLN  24          HB2       GLN  24 174.189   0.125  14.323
  181   2HB   GLN  24          HB1       GLN  24 172.807   0.922  15.051
  182   1HG   GLN  24          HG2       GLN  24 175.017   2.213  14.797
  183   2HG   GLN  24          HG1       GLN  24 174.114   2.352  16.303
  184   1HE2  GLN  24          1HE2      GLN  24 175.356   2.308  18.021
  185   2HE2  GLN  24          2HE2      GLN  24 176.828   1.422  18.202
  186    H    LYS  25           HN       LYS  25 172.249  -1.865  17.926
  187    HA   LYS  25           HA       LYS  25 170.804  -3.459  16.022
  188   1HB   LYS  25          HB2       LYS  25 170.164  -3.152  18.951
  189   2HB   LYS  25          HB1       LYS  25 169.790  -4.510  17.900
  190   1HG   LYS  25          HG2       LYS  25 172.283  -4.856  17.672
  191   2HG   LYS  25          HG1       LYS  25 172.466  -3.694  18.988
  192   1HD   LYS  25          HD2       LYS  25 170.603  -5.352  20.039
  193   2HD   LYS  25          HD1       LYS  25 171.516  -6.482  19.036
  194   1HE   LYS  25          HE2       LYS  25 172.610  -6.557  21.093
  195   2HE   LYS  25          HE1       LYS  25 173.599  -5.461  20.130
  196   1HZ   LYS  25          HZ1       LYS  25 173.306  -4.494  22.262
  197   2HZ   LYS  25          HZ2       LYS  25 171.631  -4.729  22.225
  198   3HZ   LYS  25          HZ3       LYS  25 172.349  -3.604  21.187
  199    H    ALA  26           HN       ALA  26 170.411  -0.339  17.275
  200    HA   ALA  26           HA       ALA  26 167.522  -0.320  17.056
  201   1HB   ALA  26          HB1       ALA  26 169.285   1.081  18.619
  202   2HB   ALA  26          HB2       ALA  26 167.590   1.496  18.359
  203   3HB   ALA  26          HB3       ALA  26 168.845   2.260  17.383
  204    HA   PRO  27           HA       PRO  27 167.352   1.523  13.045
  205   1HB   PRO  27          HB2       PRO  27 165.289   3.114  13.112
  206   2HB   PRO  27          HB1       PRO  27 165.077   1.419  13.592
  207   1HG   PRO  27          HG2       PRO  27 165.640   3.782  15.312
  208   2HG   PRO  27          HG1       PRO  27 164.274   2.658  15.466
  209   1HD   PRO  27          HD2       PRO  27 166.535   2.403  16.931
  210   2HD   PRO  27          HD1       PRO  27 165.650   0.978  16.347
  211    H    LEU  28           HN       LEU  28 167.035   3.737  11.846
  212    HA   LEU  28           HA       LEU  28 169.106   5.509  12.898
  213   1HB   LEU  28          HB2       LEU  28 168.767   4.507  10.420
  214   2HB   LEU  28          HB1       LEU  28 167.901   6.021  10.245
  215    HG   LEU  28           HG       LEU  28 169.996   7.165  11.128
  216   1HD1  LEU  28          HD11      LEU  28 171.999   6.043  11.283
  217   2HD1  LEU  28          HD12      LEU  28 171.457   4.713  10.258
  218   3HD1  LEU  28          HD13      LEU  28 170.874   4.842  11.918
  219   1HD2  LEU  28          HD21      LEU  28 169.269   7.114   8.749
  220   2HD2  LEU  28          HD22      LEU  28 170.278   5.686   8.518
  221   3HD2  LEU  28          HD23      LEU  28 171.016   7.226   8.960
  222    H    CYS  29           HN       CYS  29 168.736   7.520  13.598
  223    HA   CYS  29           HA       CYS  29 167.647   9.402  14.253
  224   1HB   CYS  29          HB2       CYS  29 166.257   8.739  11.687
  225   2HB   CYS  29          HB1       CYS  29 165.616  10.028  12.700
  226    H    ASN  30           HN       ASN  30 164.751   7.804  12.980
  227    HA   ASN  30           HA       ASN  30 163.886   6.839  15.523
  228   1HB   ASN  30          HB2       ASN  30 163.545   9.457  15.460
  229   2HB   ASN  30          HB1       ASN  30 162.126   9.032  14.507
  230   1HD2  ASN  30          HD21      ASN  30 160.747   9.799  16.109
  231   2HD2  ASN  30          HD22      ASN  30 160.475   8.929  17.576
  232    H    GLY  31           HN       GLY  31 164.176   5.914  12.777
  233   1HA   GLY  31          HA2       GLY  31 162.940   4.180  11.753
  234   2HA   GLY  31          HA1       GLY  31 161.475   4.833  12.470
  235    H    SER  32           HN       SER  32 163.669   6.987  10.869
  236    HA   SER  32           HA       SER  32 161.709   7.951   9.102
  237   1HB   SER  32          HB2       SER  32 164.711   8.196   8.823
  238   2HB   SER  32          HB1       SER  32 163.498   9.231   8.069
  239    HG   SER  32           HG       SER  32 164.628   9.573  10.401
  240    H    MET  33           HN       MET  33 160.810   6.731   7.568
  241    HA   MET  33           HA       MET  33 161.847   4.471   6.386
  242   1HB   MET  33          HB2       MET  33 159.951   6.384   5.035
  243   2HB   MET  33          HB1       MET  33 160.085   4.653   4.797
  244   1HG   MET  33          HG2       MET  33 159.426   4.411   7.230
  245   2HG   MET  33          HG1       MET  33 158.984   6.114   7.156
  246   1HE   MET  33          HE1       MET  33 157.773   2.531   6.663
  247   2HE   MET  33          HE2       MET  33 158.591   2.789   5.122
  248   3HE   MET  33          HE3       MET  33 156.839   2.589   5.169
  249    H    VAL  34           HN       VAL  34 162.468   4.114   4.151
  250    HA   VAL  34           HA       VAL  34 163.743   6.363   2.801
  251    HB   VAL  34           HB       VAL  34 165.751   4.619   2.456
  252   1HG1  VAL  34          1HG1      VAL  34 165.435   7.054   3.622
  253   2HG1  VAL  34          2HG1      VAL  34 166.970   6.196   3.484
  254   3HG1  VAL  34          3HG1      VAL  34 166.034   6.093   4.976
  255   1HG2  VAL  34          1HG2      VAL  34 165.072   2.868   3.861
  256   2HG2  VAL  34          2HG2      VAL  34 164.565   3.969   5.140
  257   3HG2  VAL  34          3HG2      VAL  34 166.278   3.746   4.798
  258    H    TRP  35           HN       TRP  35 164.927   5.400   0.738
  259    HA   TRP  35           HA       TRP  35 162.838   4.111  -0.794
  260   1HB   TRP  35          HB2       TRP  35 165.279   5.666  -1.341
  261   2HB   TRP  35          HB1       TRP  35 164.902   4.437  -2.531
  262    HD1  TRP  35           HD1      TRP  35 164.599   7.838  -2.471
  263    HE1  TRP  35           HE1      TRP  35 162.464   8.729  -3.563
  264    HE3  TRP  35           HE3      TRP  35 161.798   3.564  -2.404
  265    HZ2  TRP  35           HZ2      TRP  35 159.911   7.769  -4.305
  266    HZ3  TRP  35           HZ3      TRP  35 159.518   3.635  -3.325
  267    HH2  TRP  35           HH2      TRP  35 158.594   5.695  -4.255
  268    H    SER  36           HN       SER  36 165.824   3.229   0.650
  269    HA   SER  36           HA       SER  36 166.787   1.187   0.987
  270   1HB   SER  36          HB2       SER  36 164.769  -0.036   0.914
  271   2HB   SER  36          HB1       SER  36 164.564   0.264  -0.804
  272    HG   SER  36           HG       SER  36 165.843  -1.352  -1.248
  273    H    ILE  37           HN       ILE  37 167.961  -0.558  -0.406
  274    HA   ILE  37           HA       ILE  37 169.633   0.817  -2.193
  275    HB   ILE  37           HB       ILE  37 169.420  -2.136  -1.636
  276   1HG1  ILE  37          2HG1      ILE  37 169.753  -0.573   0.375
  277   2HG1  ILE  37          1HG1      ILE  37 170.929  -1.865   0.159
  278   1HG2  ILE  37          1HG2      ILE  37 171.873  -1.993  -2.210
  279   2HG2  ILE  37          2HG2      ILE  37 171.483  -0.421  -2.903
  280   3HG2  ILE  37          3HG2      ILE  37 170.708  -1.874  -3.525
  281   1HD1  ILE  37          HD11      ILE  37 172.616  -0.435  -0.267
  282   2HD1  ILE  37          HD12      ILE  37 171.597   0.672   0.654
  283   3HD1  ILE  37          HD13      ILE  37 171.578   0.715  -1.109
  284    H    ASN  38           HN       ASN  38 170.163   0.000  -4.341
  285    HA   ASN  38           HA       ASN  38 167.785  -0.926  -5.808
  286   1HB   ASN  38          HB2       ASN  38 168.381   1.401  -6.361
  287   2HB   ASN  38          HB1       ASN  38 170.008   0.884  -6.790
  288   1HD2  ASN  38          HD21      ASN  38 166.621   0.668  -7.654
  289   2HD2  ASN  38          HD22      ASN  38 166.875   0.242  -9.309
  290    H    LEU  39           HN       LEU  39 168.637  -3.061  -5.228
  291    HA   LEU  39           HA       LEU  39 171.124  -3.961  -6.264
  292   1HB   LEU  39          HB2       LEU  39 168.726  -5.428  -5.197
  293   2HB   LEU  39          HB1       LEU  39 170.215  -6.223  -5.684
  294    HG   LEU  39           HG       LEU  39 170.958  -4.136  -3.942
  295   1HD1  LEU  39          HD11      LEU  39 169.693  -4.392  -2.006
  296   2HD1  LEU  39          HD12      LEU  39 168.892  -5.845  -2.612
  297   3HD1  LEU  39          HD13      LEU  39 168.505  -4.269  -3.306
  298   1HD2  LEU  39          HD21      LEU  39 171.920  -5.876  -2.676
  299   2HD2  LEU  39          HD22      LEU  39 171.990  -6.382  -4.365
  300   3HD2  LEU  39          HD23      LEU  39 170.766  -7.061  -3.291
  301    H    THR  40           HN       THR  40 170.377  -2.863  -8.300
  302    HA   THR  40           HA       THR  40 170.090  -4.853 -10.303
  303    HB   THR  40           HB       THR  40 167.744  -4.769  -9.791
  304    HG1  THR  40           1HG      THR  40 167.289  -4.680 -11.823
  305   1HG2  THR  40          1HG2      THR  40 167.204  -2.014 -10.512
  306   2HG2  THR  40          2HG2      THR  40 168.138  -2.161  -9.023
  307   3HG2  THR  40          3HG2      THR  40 166.585  -2.982  -9.174
  308    H    ALA  41           HN       ALA  41 172.132  -3.256 -10.054
  309    HA   ALA  41           HA       ALA  41 173.483  -1.911 -11.316
  310   1HB   ALA  41          HB1       ALA  41 172.959  -1.445 -13.477
  311   2HB   ALA  41          HB2       ALA  41 171.314  -0.943 -13.088
  312   3HB   ALA  41          HB3       ALA  41 171.718  -2.658 -13.164
  313    H    GLY  42           HN       GLY  42 173.956  -0.361  -9.850
  314   1HA   GLY  42          HA2       GLY  42 174.022   1.987  -9.438
  315   2HA   GLY  42          HA1       GLY  42 172.358   2.096  -9.986
  316    H    MET  43           HN       MET  43 173.734  -0.148  -7.650
  317    HA   MET  43           HA       MET  43 171.638   0.381  -5.779
  318   1HB   MET  43          HB2       MET  43 172.917  -1.209  -4.319
  319   2HB   MET  43          HB1       MET  43 172.472  -1.850  -5.893
  320   1HG   MET  43          HG2       MET  43 174.581  -2.318  -6.340
  321   2HG   MET  43          HG1       MET  43 175.039  -0.636  -6.095
  322   1HE   MET  43          HE1       MET  43 174.119  -0.336  -3.021
  323   2HE   MET  43          HE2       MET  43 175.637   0.351  -3.595
  324   3HE   MET  43          HE3       MET  43 175.620  -0.670  -2.158
  325    H    TYR  44           HN       TYR  44 175.050   1.246  -6.018
  326    HA   TYR  44           HA       TYR  44 175.347   2.324  -3.437
  327   1HB   TYR  44          HB2       TYR  44 176.809   3.354  -5.861
  328   2HB   TYR  44          HB1       TYR  44 177.382   3.254  -4.200
  329    HD1  TYR  44           HD1      TYR  44 178.011   1.051  -3.243
  330    HD2  TYR  44           HD2      TYR  44 177.000   1.501  -7.351
  331    HE1  TYR  44           HE1      TYR  44 179.059  -1.119  -3.733
  332    HE2  TYR  44           HE2      TYR  44 178.044  -0.668  -7.852
  333    HH   TYR  44           HH       TYR  44 179.841  -2.131  -6.806
  334    H    CYS  45           HN       CYS  45 174.949   4.073  -6.520
  335    HA   CYS  45           HA       CYS  45 174.496   6.580  -5.370
  336   1HB   CYS  45          HB2       CYS  45 174.910   5.806  -7.874
  337   2HB   CYS  45          HB1       CYS  45 173.154   5.901  -7.944
  338    H    ALA  46           HN       ALA  46 172.443   3.840  -5.602
  339    HA   ALA  46           HA       ALA  46 169.937   5.198  -5.501
  340   1HB   ALA  46          HB1       ALA  46 169.306   3.119  -5.998
  341   2HB   ALA  46          HB2       ALA  46 169.592   2.690  -4.311
  342   3HB   ALA  46          HB3       ALA  46 170.868   2.467  -5.508
  343    H    ALA  47           HN       ALA  47 171.630   3.296  -3.003
  344    HA   ALA  47           HA       ALA  47 170.061   4.250  -0.868
  345   1HB   ALA  47          HB1       ALA  47 171.083   2.469  -0.008
  346   2HB   ALA  47          HB2       ALA  47 172.474   3.515   0.267
  347   3HB   ALA  47          HB3       ALA  47 172.380   2.541  -1.200
  348    H    LEU  48           HN       LEU  48 172.691   5.659  -2.583
  349    HA   LEU  48           HA       LEU  48 173.537   7.431  -0.498
  350   1HB   LEU  48          HB2       LEU  48 175.124   6.802  -2.176
  351   2HB   LEU  48          HB1       LEU  48 174.050   7.304  -3.464
  352    HG   LEU  48           HG       LEU  48 174.272   9.667  -2.549
  353   1HD1  LEU  48          HD11      LEU  48 175.355   9.930  -0.630
  354   2HD1  LEU  48          HD12      LEU  48 176.840   9.455  -1.455
  355   3HD1  LEU  48          HD13      LEU  48 175.864   8.242  -0.626
  356   1HD2  LEU  48          HD21      LEU  48 176.842   9.579  -3.437
  357   2HD2  LEU  48          HD22      LEU  48 175.417   9.607  -4.476
  358   3HD2  LEU  48          HD23      LEU  48 176.193   8.073  -4.084
  359    H    GLU  49           HN       GLU  49 171.544   7.631  -3.404
  360    HA   GLU  49           HA       GLU  49 170.997  10.371  -3.203
  361   1HB   GLU  49          HB2       GLU  49 169.224   9.990  -4.824
  362   2HB   GLU  49          HB1       GLU  49 170.675   9.113  -5.284
  363   1HG   GLU  49          HG2       GLU  49 169.737   7.065  -4.866
  364   2HG   GLU  49          HG1       GLU  49 168.578   7.709  -3.707
  365    H    SER  50           HN       SER  50 169.402   7.527  -1.880
  366    HA   SER  50           HA       SER  50 167.192   9.069  -0.842
  367   1HB   SER  50          HB2       SER  50 167.565   6.429   0.352
  368   2HB   SER  50          HB1       SER  50 166.194   7.080  -0.546
  369    HG   SER  50           HG       SER  50 168.366   5.599  -1.436
  370    H    LEU  51           HN       LEU  51 170.250   7.840   0.347
  371    HA   LEU  51           HA       LEU  51 169.743   8.202   3.107
  372   1HB   LEU  51          HB2       LEU  51 172.173   7.847   1.423
  373   2HB   LEU  51          HB1       LEU  51 172.384   8.438   3.059
  374    HG   LEU  51           HG       LEU  51 170.901   5.894   2.422
  375   1HD1  LEU  51          HD11      LEU  51 173.192   5.692   1.620
  376   2HD1  LEU  51          HD12      LEU  51 172.937   4.705   3.060
  377   3HD1  LEU  51          HD13      LEU  51 173.797   6.240   3.183
  378   1HD2  LEU  51          HD21      LEU  51 170.702   5.592   4.648
  379   2HD2  LEU  51          HD22      LEU  51 170.855   7.349   4.689
  380   3HD2  LEU  51          HD23      LEU  51 172.264   6.334   4.997
  381    H    ILE  52           HN       ILE  52 171.072  10.316   0.610
  382    HA   ILE  52           HA       ILE  52 171.998  12.394   2.203
  383    HB   ILE  52           HB       ILE  52 172.350  12.220  -0.251
  384   1HG1  ILE  52          2HG1      ILE  52 171.664  14.804  -0.593
  385   2HG1  ILE  52          1HG1      ILE  52 171.509  14.691   1.157
  386   1HG2  ILE  52          1HG2      ILE  52 170.017  13.667  -1.091
  387   2HG2  ILE  52          2HG2      ILE  52 169.550  12.145  -0.332
  388   3HG2  ILE  52          3HG2      ILE  52 170.669  12.143  -1.695
  389   1HD1  ILE  52          HD11      ILE  52 173.705  15.462   0.608
  390   2HD1  ILE  52          HD12      ILE  52 173.958  14.099  -0.483
  391   3HD1  ILE  52          HD13      ILE  52 173.824  13.826   1.255
  392    H    ASN  53           HN       ASN  53 168.746  11.486   1.392
  393    HA   ASN  53           HA       ASN  53 167.496  13.956   2.034
  394   1HB   ASN  53          HB2       ASN  53 166.582  11.152   1.582
  395   2HB   ASN  53          HB1       ASN  53 165.480  12.263   2.389
  396   1HD2  ASN  53          HD21      ASN  53 167.555  11.996  -0.464
  397   2HD2  ASN  53          HD22      ASN  53 166.519  12.892  -1.517
  398    H    VAL  54           HN       VAL  54 168.739  11.349   3.927
  399    HA   VAL  54           HA       VAL  54 167.170  11.533   6.228
  400    HB   VAL  54           HB       VAL  54 170.129  10.924   6.116
  401   1HG1  VAL  54          1HG1      VAL  54 168.005  10.352   8.171
  402   2HG1  VAL  54          2HG1      VAL  54 169.485  11.290   8.373
  403   3HG1  VAL  54          3HG1      VAL  54 169.572   9.544   8.143
  404   1HG2  VAL  54          1HG2      VAL  54 169.696   8.826   5.399
  405   2HG2  VAL  54          2HG2      VAL  54 168.256   9.584   4.719
  406   3HG2  VAL  54          3HG2      VAL  54 168.160   8.733   6.261
  407    H    SER  55           HN       SER  55 167.220  12.801   8.033
  408    HA   SER  55           HA       SER  55 169.229  14.929   8.189
  409   1HB   SER  55          HB2       SER  55 166.235  15.313   8.182
  410   2HB   SER  55          HB1       SER  55 167.341  16.518   8.840
  411    HG   SER  55           HG       SER  55 167.997  17.010   6.877
  412    H    GLY  56           HN       GLY  56 169.505  15.828  10.296
  413   1HA   GLY  56          HA2       GLY  56 169.605  15.754  12.590
  414   2HA   GLY  56          HA1       GLY  56 168.029  14.979  12.556
  415    H    CYS  57           HN       CYS  57 170.767  13.607  10.887
  416    HA   CYS  57           HA       CYS  57 171.089  11.611  13.014
  417   1HB   CYS  57          HB2       CYS  57 170.156  11.220  10.256
  418   2HB   CYS  57          HB1       CYS  57 171.478  10.160  10.718
  419    H    SER  58           HN       SER  58 172.409  12.061   9.750
  420    HA   SER  58           HA       SER  58 174.522  12.315   8.970
  421   1HB   SER  58          HB2       SER  58 174.230  14.191  10.939
  422   2HB   SER  58          HB1       SER  58 175.678  13.336  11.476
  423    HG   SER  58           HG       SER  58 176.536  14.725  10.099
  424    H    ALA  59           HN       ALA  59 173.717   9.948  10.792
  425    HA   ALA  59           HA       ALA  59 176.286   9.083  11.815
  426   1HB   ALA  59          HB1       ALA  59 174.790   6.898  12.102
  427   2HB   ALA  59          HB2       ALA  59 173.497   8.089  11.955
  428   3HB   ALA  59          HB3       ALA  59 174.707   8.253  13.228
  429    H    ILE  60           HN       ILE  60 174.102   8.342   9.171
  430    HA   ILE  60           HA       ILE  60 175.658   6.190   8.128
  431    HB   ILE  60           HB       ILE  60 174.127   6.442   6.170
  432   1HG1  ILE  60          2HG1      ILE  60 172.070   7.987   7.216
  433   2HG1  ILE  60          1HG1      ILE  60 173.520   8.922   7.560
  434   1HG2  ILE  60          1HG2      ILE  60 172.803   6.227   8.862
  435   2HG2  ILE  60          2HG2      ILE  60 173.641   4.924   8.019
  436   3HG2  ILE  60          3HG2      ILE  60 172.164   5.606   7.340
  437   1HD1  ILE  60          HD11      ILE  60 173.737   9.535   5.450
  438   2HD1  ILE  60          HD12      ILE  60 172.108   8.905   5.205
  439   3HD1  ILE  60          HD13      ILE  60 173.509   7.890   4.860
  440    H    GLU  61           HN       GLU  61 176.263   9.441   8.181
  441    HA   GLU  61           HA       GLU  61 176.877  10.349   5.712
  442   1HB   GLU  61          HB2       GLU  61 178.013  10.759   8.390
  443   2HB   GLU  61          HB1       GLU  61 179.095  11.177   7.069
  444   1HG   GLU  61          HG2       GLU  61 176.753  12.340   6.282
  445   2HG   GLU  61          HG1       GLU  61 176.697  12.526   8.034
  446    H    LYS  62           HN       LYS  62 178.879   8.160   7.619
  447    HA   LYS  62           HA       LYS  62 181.056   7.976   5.875
  448   1HB   LYS  62          HB2       LYS  62 179.934   6.281   8.044
  449   2HB   LYS  62          HB1       LYS  62 181.068   5.514   6.941
  450   1HG   LYS  62          HG2       LYS  62 181.809   8.132   8.138
  451   2HG   LYS  62          HG1       LYS  62 181.878   6.686   9.147
  452   1HD   LYS  62          HD2       LYS  62 183.448   5.646   7.708
  453   2HD   LYS  62          HD1       LYS  62 183.191   6.850   6.444
  454   1HE   LYS  62          HE2       LYS  62 183.961   8.438   8.489
  455   2HE   LYS  62          HE1       LYS  62 184.858   6.969   8.871
  456   1HZ   LYS  62          HZ1       LYS  62 184.914   8.255   6.200
  457   2HZ   LYS  62          HZ2       LYS  62 185.930   7.033   6.778
  458   3HZ   LYS  62          HZ3       LYS  62 186.042   8.596   7.415
  459    H    THR  63           HN       THR  63 178.040   6.150   6.024
  460    HA   THR  63           HA       THR  63 178.654   4.383   3.886
  461    HB   THR  63           HB       THR  63 176.033   5.218   5.141
  462    HG1  THR  63           1HG      THR  63 177.146   3.983   6.546
  463   1HG2  THR  63          1HG2      THR  63 175.537   4.447   2.905
  464   2HG2  THR  63          2HG2      THR  63 175.033   3.248   4.097
  465   3HG2  THR  63          3HG2      THR  63 176.511   3.001   3.166
  466    H    GLN  64           HN       GLN  64 177.203   7.566   4.107
  467    HA   GLN  64           HA       GLN  64 176.072   7.738   1.553
  468   1HB   GLN  64          HB2       GLN  64 177.255   9.852   3.353
  469   2HB   GLN  64          HB1       GLN  64 176.465  10.233   1.830
  470   1HG   GLN  64          HG2       GLN  64 174.437   9.033   2.724
  471   2HG   GLN  64          HG1       GLN  64 175.252   9.012   4.288
  472   1HE2  GLN  64          1HE2      GLN  64 172.781  10.297   3.658
  473   2HE2  GLN  64          2HE2      GLN  64 172.997  11.988   3.930
  474    H    ARG  65           HN       ARG  65 179.198   9.105   2.606
  475    HA   ARG  65           HA       ARG  65 180.143   9.735   0.096
  476   1HB   ARG  65          HB2       ARG  65 181.642   9.008   2.607
  477   2HB   ARG  65          HB1       ARG  65 182.420   9.644   1.164
  478   1HG   ARG  65          HG2       ARG  65 180.155  11.214   2.207
  479   2HG   ARG  65          HG1       ARG  65 181.603  11.167   3.214
  480   1HD   ARG  65          HD2       ARG  65 182.942  12.087   1.504
  481   2HD   ARG  65          HD1       ARG  65 181.709  11.800   0.278
  482    HE   ARG  65           HE       ARG  65 181.941  14.080   1.951
  483   1HH1  ARG  65          HH11      ARG  65 179.585  11.998   0.437
  484   2HH1  ARG  65          HH12      ARG  65 178.362  13.222   0.368
  485   1HH2  ARG  65          HH21      ARG  65 180.334  15.692   1.862
  486   2HH2  ARG  65          HH22      ARG  65 178.788  15.319   1.177
  487    H    MET  66           HN       MET  66 180.635   6.798   2.009
  488    HA   MET  66           HA       MET  66 182.358   5.425   0.334
  489   1HB   MET  66          HB2       MET  66 180.416   4.699   2.437
  490   2HB   MET  66          HB1       MET  66 180.853   3.400   1.336
  491   1HG   MET  66          HG2       MET  66 183.283   4.505   1.958
  492   2HG   MET  66          HG1       MET  66 182.388   4.651   3.469
  493   1HE   MET  66          HE1       MET  66 184.527   1.490   4.206
  494   2HE   MET  66          HE2       MET  66 183.958   3.041   4.825
  495   3HE   MET  66          HE3       MET  66 184.999   2.988   3.402
  496    H    LEU  67           HN       LEU  67 178.878   5.806   0.132
  497    HA   LEU  67           HA       LEU  67 178.551   3.895  -1.982
  498   1HB   LEU  67          HB2       LEU  67 176.792   5.898  -0.626
  499   2HB   LEU  67          HB1       LEU  67 176.272   5.171  -2.133
  500    HG   LEU  67           HG       LEU  67 176.879   3.732   0.447
  501   1HD1  LEU  67          HD11      LEU  67 174.637   5.045  -0.137
  502   2HD1  LEU  67          HD12      LEU  67 174.646   3.531   0.767
  503   3HD1  LEU  67          HD13      LEU  67 174.285   3.525  -0.959
  504   1HD2  LEU  67          HD21      LEU  67 177.354   1.950  -0.797
  505   2HD2  LEU  67          HD22      LEU  67 176.902   2.782  -2.285
  506   3HD2  LEU  67          HD23      LEU  67 175.671   1.963  -1.324
  507    H    SER  68           HN       SER  68 178.795   7.411  -1.743
  508    HA   SER  68           HA       SER  68 178.156   8.101  -4.354
  509   1HB   SER  68          HB2       SER  68 178.565   9.686  -2.433
  510   2HB   SER  68          HB1       SER  68 180.292   9.447  -2.695
  511    HG   SER  68           HG       SER  68 180.189  10.778  -4.308
  512    H    GLY  69           HN       GLY  69 181.259   7.148  -2.985
  513   1HA   GLY  69          HA2       GLY  69 182.915   7.557  -5.128
  514   2HA   GLY  69          HA1       GLY  69 183.133   6.271  -3.958
  515    H    PHE  70           HN       PHE  70 180.445   5.153  -4.780
  516    HA   PHE  70           HA       PHE  70 181.434   3.726  -7.147
  517   1HB   PHE  70          HB2       PHE  70 179.449   2.949  -5.010
  518   2HB   PHE  70          HB1       PHE  70 179.695   2.010  -6.479
  519    HD1  PHE  70           HD1      PHE  70 181.136   0.235  -6.363
  520    HD2  PHE  70           HD2      PHE  70 181.721   3.533  -3.739
  521    HE1  PHE  70           HE1      PHE  70 183.004  -0.955  -5.291
  522    HE2  PHE  70           HE2      PHE  70 183.591   2.350  -2.663
  523    HZ   PHE  70           HZ       PHE  70 184.235   0.103  -3.439
  524    H    CYS  71           HN       CYS  71 178.850   5.742  -5.992
  525    HA   CYS  71           HA       CYS  71 176.773   5.194  -7.691
  526   1HB   CYS  71          HB2       CYS  71 176.250   6.849  -6.177
  527   2HB   CYS  71          HB1       CYS  71 177.774   7.693  -6.407
  528    HA   PRO  72           HA       PRO  72 178.852   5.913 -11.631
  529   1HB   PRO  72          HB2       PRO  72 176.893   4.908 -13.194
  530   2HB   PRO  72          HB1       PRO  72 178.004   3.875 -12.287
  531   1HG   PRO  72          HG2       PRO  72 175.205   4.701 -11.608
  532   2HG   PRO  72          HG1       PRO  72 175.959   3.101 -11.482
  533   1HD   PRO  72          HD2       PRO  72 175.649   4.747  -9.347
  534   2HD   PRO  72          HD1       PRO  72 177.006   3.611  -9.495
  535    H    HIS  73           HN       HIS  73 175.644   6.965 -10.700
  536    HA   HIS  73           HA       HIS  73 175.600   8.937 -12.866
  537   1HB   HIS  73          HB2       HIS  73 173.616   7.344 -11.921
  538   2HB   HIS  73          HB1       HIS  73 173.328   8.803 -10.979
  539    HD1  HIS  73           HD1      HIS  73 174.526   8.830 -14.554
  540    HD2  HIS  73           HD2      HIS  73 171.093   9.642 -12.359
  541    HE1  HIS  73           HE1      HIS  73 172.939   9.923 -16.169
  542    HE2  HIS  73           HE2      HIS  73 170.901  10.483 -14.797
  543    H    LYS  74           HN       LYS  74 173.819  10.729 -11.367
  544    HA   LYS  74           HA       LYS  74 175.657  11.815  -9.351
  545   1HB   LYS  74          HB2       LYS  74 175.362  12.904 -11.881
  546   2HB   LYS  74          HB1       LYS  74 174.282  13.879 -10.894
  547   1HG   LYS  74          HG2       LYS  74 176.450  14.912 -10.989
  548   2HG   LYS  74          HG1       LYS  74 176.146  14.333  -9.350
  549   1HD   LYS  74          HD2       LYS  74 178.202  13.438  -9.539
  550   2HD   LYS  74          HD1       LYS  74 177.367  12.172 -10.442
  551   1HE   LYS  74          HE2       LYS  74 179.312  12.921 -11.673
  552   2HE   LYS  74          HE1       LYS  74 177.842  13.378 -12.532
  553   1HZ   LYS  74          HZ1       LYS  74 178.130  15.591 -12.024
  554   2HZ   LYS  74          HZ2       LYS  74 179.730  15.092 -12.249
  555   3HZ   LYS  74          HZ3       LYS  74 179.116  15.284 -10.684
  556    H    VAL  75           HN       VAL  75 174.676  12.481  -7.524
  557    HA   VAL  75           HA       VAL  75 172.018  13.480  -7.448
  558    HB   VAL  75           HB       VAL  75 171.466  11.109  -7.698
  559   1HG1  VAL  75          1HG1      VAL  75 172.271   9.409  -6.385
  560   2HG1  VAL  75          2HG1      VAL  75 172.652  10.481  -5.038
  561   3HG1  VAL  75          3HG1      VAL  75 173.684  10.459  -6.468
  562   1HG2  VAL  75          1HG2      VAL  75 170.798  11.463  -4.862
  563   2HG2  VAL  75          2HG2      VAL  75 169.745  11.254  -6.261
  564   3HG2  VAL  75          3HG2      VAL  75 170.416  12.842  -5.892
  565    H    SER  76           HN       SER  76 172.763  15.134  -6.196
  566    HA   SER  76           HA       SER  76 173.296  14.596  -3.502
  567   1HB   SER  76          HB2       SER  76 175.104  16.572  -4.003
  568   2HB   SER  76          HB1       SER  76 175.392  14.882  -3.692
  569    HG   SER  76           HG       SER  76 175.985  16.211  -5.881
  570    H    ALA  77           HN       ALA  77 171.993  15.604  -2.631
  571    HA   ALA  77           HA       ALA  77 171.305  18.393  -3.246
  572   1HB   ALA  77          HB1       ALA  77 168.959  17.907  -2.580
  573   2HB   ALA  77          HB2       ALA  77 169.378  16.194  -2.535
  574   3HB   ALA  77          HB3       ALA  77 169.470  17.085  -4.054
  575    H    GLY  78           HN       GLY  78 170.220  16.163  -0.737
  576   1HA   GLY  78          HA2       GLY  78 170.144  16.372   1.542
  577   2HA   GLY  78          HA1       GLY  78 171.801  16.916   1.361
  578    H    GLN  79           HN       GLN  79 169.189  18.704  -0.070
  579    HA   GLN  79           HA       GLN  79 168.657  20.450   2.086
  580   1HB   GLN  79          HB2       GLN  79 170.935  21.116   0.309
  581   2HB   GLN  79          HB1       GLN  79 169.823  22.428   0.673
  582   1HG   GLN  79          HG2       GLN  79 170.236  21.355   3.141
  583   2HG   GLN  79          HG1       GLN  79 171.803  21.110   2.370
  584   1HE2  GLN  79          1HE2      GLN  79 169.318  23.591   2.843
  585   2HE2  GLN  79          2HE2      GLN  79 170.420  24.912   3.004
  586    H    PHE  80           HN       PHE  80 166.824  19.325   0.664
  587    HA   PHE  80           HA       PHE  80 165.628  21.501  -0.830
  588   1HB   PHE  80          HB2       PHE  80 165.185  20.246  -2.831
  589   2HB   PHE  80          HB1       PHE  80 166.915  20.168  -2.518
  590    HD1  PHE  80           HD1      PHE  80 167.465  18.067  -0.827
  591    HD2  PHE  80           HD2      PHE  80 164.287  18.315  -3.646
  592    HE1  PHE  80           HE1      PHE  80 167.371  15.611  -0.930
  593    HE2  PHE  80           HE2      PHE  80 164.187  15.859  -3.754
  594    HZ   PHE  80           HZ       PHE  80 165.730  14.504  -2.395
  595    H    SER  81           HN       SER  81 163.389  20.500  -1.766
  596    HA   SER  81           HA       SER  81 162.098  18.484  -0.319
  597   1HB   SER  81          HB2       SER  81 162.381  19.947   1.621
  598   2HB   SER  81          HB1       SER  81 161.607  21.273   0.754
  599    HG   SER  81           HG       SER  81 160.380  18.791   1.383
  600    H    SER  82           HN       SER  82 161.063  17.962  -2.181
  601    HA   SER  82           HA       SER  82 158.747  19.465  -2.894
  602   1HB   SER  82          HB2       SER  82 159.644  19.546  -5.399
  603   2HB   SER  82          HB1       SER  82 159.935  20.871  -4.272
  604    HG   SER  82           HG       SER  82 161.972  20.508  -4.563
  605    H    LEU  83           HN       LEU  83 159.213  16.842  -2.016
  606    HA   LEU  83           HA       LEU  83 159.025  15.085  -4.310
  607   1HB   LEU  83          HB2       LEU  83 159.175  14.734  -1.356
  608   2HB   LEU  83          HB1       LEU  83 158.484  13.433  -2.307
  609    HG   LEU  83           HG       LEU  83 160.804  12.958  -1.948
  610   1HD1  LEU  83          HD11      LEU  83 159.735  12.592  -4.237
  611   2HD1  LEU  83          HD12      LEU  83 161.495  12.550  -4.146
  612   3HD1  LEU  83          HD13      LEU  83 160.678  13.986  -4.764
  613   1HD2  LEU  83          HD21      LEU  83 161.599  15.188  -1.442
  614   2HD2  LEU  83          HD22      LEU  83 161.340  15.688  -3.114
  615   3HD2  LEU  83          HD23      LEU  83 162.571  14.483  -2.734
  616    H    HIS  84           HN       HIS  84 157.222  13.853  -4.883
  617    HA   HIS  84           HA       HIS  84 154.709  14.230  -3.507
  618   1HB   HIS  84          HB2       HIS  84 155.232  16.141  -5.319
  619   2HB   HIS  84          HB1       HIS  84 154.551  14.922  -6.391
  620    HD1  HIS  84           HD1      HIS  84 152.632  14.087  -3.748
  621    HD2  HIS  84           HD2      HIS  84 152.825  17.618  -5.930
  622    HE1  HIS  84           HE1      HIS  84 150.419  15.225  -3.383
  623    HE2  HIS  84           HE2      HIS  84 150.593  17.400  -4.642
  624    H    VAL  85           HN       VAL  85 156.395  11.987  -4.098
  625    HA   VAL  85           HA       VAL  85 154.674  10.476  -5.945
  626    HB   VAL  85           HB       VAL  85 156.874   8.886  -5.668
  627   1HG1  VAL  85          1HG1      VAL  85 157.543  10.174  -7.907
  628   2HG1  VAL  85          2HG1      VAL  85 155.911  10.809  -7.698
  629   3HG1  VAL  85          3HG1      VAL  85 156.172   9.068  -7.814
  630   1HG2  VAL  85          1HG2      VAL  85 157.965  10.814  -4.422
  631   2HG2  VAL  85          2HG2      VAL  85 158.000  11.657  -5.971
  632   3HG2  VAL  85          3HG2      VAL  85 158.869  10.134  -5.775
  633    H    ARG  86           HN       ARG  86 157.003   9.314  -3.571
  634    HA   ARG  86           HA       ARG  86 156.823   7.852  -1.838
  635   1HB   ARG  86          HB2       ARG  86 154.265   9.399  -1.650
  636   2HB   ARG  86          HB1       ARG  86 154.525   8.021  -0.589
  637   1HG   ARG  86          HG2       ARG  86 155.263   9.799   0.683
  638   2HG   ARG  86          HG1       ARG  86 156.760   9.175  -0.013
  639   1HD   ARG  86          HD2       ARG  86 155.999  10.954  -1.915
  640   2HD   ARG  86          HD1       ARG  86 155.384  11.734  -0.459
  641    HE   ARG  86           HE       ARG  86 158.106  11.511  -1.256
  642   1HH1  ARG  86          HH11      ARG  86 156.025  11.599   1.544
  643   2HH1  ARG  86          HH12      ARG  86 157.255  12.221   2.594
  644   1HH2  ARG  86          HH21      ARG  86 159.724  12.328   0.123
  645   2HH2  ARG  86          HH22      ARG  86 159.355  12.635   1.787
  646    H    ASP  87           HN       ASP  87 156.858   5.793  -2.468
  647    HA   ASP  87           HA       ASP  87 154.312   4.523  -3.173
  648   1HB   ASP  87          HB2       ASP  87 156.894   4.364  -4.707
  649   2HB   ASP  87          HB1       ASP  87 155.683   3.091  -4.815
  650    H    THR  88           HN       THR  88 157.588   3.228  -3.139
  651    HA   THR  88           HA       THR  88 156.779   1.438  -0.948
  652    HB   THR  88           HB       THR  88 158.948   0.208  -1.995
  653    HG1  THR  88           1HG      THR  88 159.194   1.656  -3.689
  654   1HG2  THR  88          1HG2      THR  88 156.870  -0.940  -1.662
  655   2HG2  THR  88          2HG2      THR  88 157.422  -1.204  -3.317
  656   3HG2  THR  88          3HG2      THR  88 156.125  -0.054  -2.992
  657    H    LYS  89           HN       LYS  89 157.757   1.716   0.936
  658    HA   LYS  89           HA       LYS  89 160.430   2.954   0.971
  659   1HB   LYS  89          HB2       LYS  89 157.961   3.794   2.275
  660   2HB   LYS  89          HB1       LYS  89 159.285   3.596   3.413
  661   1HG   LYS  89          HG2       LYS  89 159.810   5.692   2.859
  662   2HG   LYS  89          HG1       LYS  89 160.495   4.974   1.401
  663   1HD   LYS  89          HD2       LYS  89 157.893   5.205   0.683
  664   2HD   LYS  89          HD1       LYS  89 158.066   6.597   1.754
  665   1HE   LYS  89          HE2       LYS  89 159.988   6.005  -0.484
  666   2HE   LYS  89          HE1       LYS  89 158.547   6.998  -0.701
  667   1HZ   LYS  89          HZ1       LYS  89 159.365   8.526   0.956
  668   2HZ   LYS  89          HZ2       LYS  89 160.537   8.322  -0.246
  669   3HZ   LYS  89          HZ3       LYS  89 160.718   7.553   1.249
  670    H    ILE  90           HN       ILE  90 161.618   2.528   3.049
  671    HA   ILE  90           HA       ILE  90 160.873  -0.028   4.272
  672    HB   ILE  90           HB       ILE  90 162.867  -1.113   3.856
  673   1HG1  ILE  90          2HG1      ILE  90 164.245   1.410   2.938
  674   2HG1  ILE  90          1HG1      ILE  90 164.280   0.881   4.617
  675   1HG2  ILE  90          1HG2      ILE  90 163.057  -1.232   1.572
  676   2HG2  ILE  90          2HG2      ILE  90 162.960   0.517   1.363
  677   3HG2  ILE  90          3HG2      ILE  90 161.505  -0.410   1.740
  678   1HD1  ILE  90          HD11      ILE  90 165.705  -0.816   4.195
  679   2HD1  ILE  90          HD12      ILE  90 166.168   0.245   2.865
  680   3HD1  ILE  90          HD13      ILE  90 165.066  -1.101   2.577
  681    H    GLU  91           HN       GLU  91 162.144  -0.493   6.265
  682    HA   GLU  91           HA       GLU  91 162.151   1.770   7.965
  683   1HB   GLU  91          HB2       GLU  91 163.470  -0.826   8.678
  684   2HB   GLU  91          HB1       GLU  91 162.556   0.270   9.695
  685   1HG   GLU  91          HG2       GLU  91 160.814  -1.063   9.455
  686   2HG   GLU  91          HG1       GLU  91 160.745  -0.573   7.764
  687    H    VAL  92           HN       VAL  92 163.793   3.012   8.697
  688    HA   VAL  92           HA       VAL  92 166.124   3.345   7.249
  689    HB   VAL  92           HB       VAL  92 166.800   4.156   9.868
  690   1HG1  VAL  92          1HG1      VAL  92 165.987   5.430   7.321
  691   2HG1  VAL  92          2HG1      VAL  92 167.470   5.606   8.258
  692   3HG1  VAL  92          3HG1      VAL  92 166.000   6.434   8.771
  693   1HG2  VAL  92          1HG2      VAL  92 164.450   3.734  10.498
  694   2HG2  VAL  92          2HG2      VAL  92 163.933   4.856   9.240
  695   3HG2  VAL  92          3HG2      VAL  92 164.887   5.439  10.604
  696    H    ALA  93           HN       ALA  93 165.627   1.415  10.183
  697    HA   ALA  93           HA       ALA  93 168.320   0.677  10.565
  698   1HB   ALA  93          HB1       ALA  93 167.554  -0.650  12.242
  699   2HB   ALA  93          HB2       ALA  93 166.225  -1.290  11.276
  700   3HB   ALA  93          HB3       ALA  93 166.093   0.309  12.007
  701    H    GLN  94           HN       GLN  94 165.644  -1.038   8.975
  702    HA   GLN  94           HA       GLN  94 167.155  -3.205   8.020
  703   1HB   GLN  94          HB2       GLN  94 164.478  -2.358   7.902
  704   2HB   GLN  94          HB1       GLN  94 164.991  -2.522   6.230
  705   1HG   GLN  94          HG2       GLN  94 165.432  -4.685   8.260
  706   2HG   GLN  94          HG1       GLN  94 163.946  -4.553   7.321
  707   1HE2  GLN  94          1HE2      GLN  94 167.420  -5.000   7.117
  708   2HE2  GLN  94          2HE2      GLN  94 167.418  -5.786   5.578
  709    H    PHE  95           HN       PHE  95 166.833   0.058   6.945
  710    HA   PHE  95           HA       PHE  95 167.626  -0.293   4.253
  711   1HB   PHE  95          HB2       PHE  95 166.501   1.742   5.013
  712   2HB   PHE  95          HB1       PHE  95 167.876   2.129   6.039
  713    HD1  PHE  95           HD1      PHE  95 170.017   2.808   5.038
  714    HD2  PHE  95           HD2      PHE  95 166.534   2.176   2.683
  715    HE1  PHE  95           HE1      PHE  95 171.059   4.034   3.177
  716    HE2  PHE  95           HE2      PHE  95 167.566   3.393   0.817
  717    HZ   PHE  95           HZ       PHE  95 169.833   4.330   1.062
  718    H    VAL  96           HN       VAL  96 169.427   0.835   7.078
  719    HA   VAL  96           HA       VAL  96 171.941   0.967   5.858
  720    HB   VAL  96           HB       VAL  96 171.350   0.351   8.760
  721   1HG1  VAL  96          1HG1      VAL  96 173.779   0.277   7.457
  722   2HG1  VAL  96          2HG1      VAL  96 173.536   0.484   9.192
  723   3HG1  VAL  96          3HG1      VAL  96 173.739   1.896   8.156
  724   1HG2  VAL  96          1HG2      VAL  96 172.058   2.990   8.632
  725   2HG2  VAL  96          2HG2      VAL  96 170.404   2.386   8.728
  726   3HG2  VAL  96          3HG2      VAL  96 171.104   2.792   7.162
  727    H    LYS  97           HN       LYS  97 170.497  -1.646   7.796
  728    HA   LYS  97           HA       LYS  97 172.585  -3.478   7.607
  729   1HB   LYS  97          HB2       LYS  97 169.634  -4.128   7.682
  730   2HB   LYS  97          HB1       LYS  97 170.952  -5.185   8.168
  731   1HG   LYS  97          HG2       LYS  97 171.260  -4.123  10.152
  732   2HG   LYS  97          HG1       LYS  97 170.741  -2.559   9.524
  733   1HD   LYS  97          HD2       LYS  97 168.426  -3.287   9.553
  734   2HD   LYS  97          HD1       LYS  97 168.917  -4.895  10.091
  735   1HE   LYS  97          HE2       LYS  97 169.949  -3.750  12.103
  736   2HE   LYS  97          HE1       LYS  97 169.091  -2.296  11.595
  737   1HZ   LYS  97          HZ1       LYS  97 167.543  -3.172  12.974
  738   2HZ   LYS  97          HZ2       LYS  97 168.045  -4.769  12.736
  739   3HZ   LYS  97          HZ3       LYS  97 167.090  -4.002  11.570
  740    H    ASP  98           HN       ASP  98 169.888  -2.875   5.376
  741    HA   ASP  98           HA       ASP  98 170.426  -5.032   3.675
  742   1HB   ASP  98          HB2       ASP  98 168.804  -2.576   3.491
  743   2HB   ASP  98          HB1       ASP  98 169.260  -3.323   1.963
  744    H    LEU  99           HN       LEU  99 171.354  -1.740   3.588
  745    HA   LEU  99           HA       LEU  99 172.836  -1.624   1.267
  746   1HB   LEU  99          HB2       LEU  99 172.568   0.380   2.315
  747   2HB   LEU  99          HB1       LEU  99 172.674  -0.375   3.900
  748    HG   LEU  99           HG       LEU  99 175.280  -0.510   2.922
  749   1HD1  LEU  99          HD11      LEU  99 174.423   1.063   1.109
  750   2HD1  LEU  99          HD12      LEU  99 175.872   1.547   1.990
  751   3HD1  LEU  99          HD13      LEU  99 174.315   2.275   2.386
  752   1HD2  LEU  99          HD21      LEU  99 173.922   1.433   4.771
  753   2HD2  LEU  99          HD22      LEU  99 175.670   1.370   4.550
  754   3HD2  LEU  99          HD23      LEU  99 174.812  -0.030   5.194
  755    H    LEU 100           HN       LEU 100 173.619  -2.837   4.478
  756    HA   LEU 100           HA       LEU 100 176.361  -3.410   4.003
  757   1HB   LEU 100          HB2       LEU 100 175.758  -3.233   6.264
  758   2HB   LEU 100          HB1       LEU 100 174.352  -4.250   6.066
  759    HG   LEU 100           HG       LEU 100 176.367  -5.177   7.367
  760   1HD1  LEU 100          HD11      LEU 100 175.976  -7.375   5.722
  761   2HD1  LEU 100          HD12      LEU 100 174.505  -6.420   5.542
  762   3HD1  LEU 100          HD13      LEU 100 175.032  -6.933   7.144
  763   1HD2  LEU 100          HD21      LEU 100 177.608  -4.715   4.836
  764   2HD2  LEU 100          HD22      LEU 100 177.602  -6.445   5.168
  765   3HD2  LEU 100          HD23      LEU 100 178.319  -5.327   6.328
  766    H    LEU 101           HN       LEU 101 173.352  -5.143   3.570
  767    HA   LEU 101           HA       LEU 101 174.292  -7.733   3.146
  768   1HB   LEU 101          HB2       LEU 101 171.936  -7.257   3.313
  769   2HB   LEU 101          HB1       LEU 101 171.989  -6.243   1.901
  770    HG   LEU 101           HG       LEU 101 171.043  -8.712   1.813
  771   1HD1  LEU 101          HD11      LEU 101 172.768  -7.865  -0.473
  772   2HD1  LEU 101          HD12      LEU 101 171.392  -6.871   0.011
  773   3HD1  LEU 101          HD13      LEU 101 171.141  -8.546  -0.483
  774   1HD2  LEU 101          HD21      LEU 101 172.551 -10.383   1.304
  775   2HD2  LEU 101          HD22      LEU 101 173.412  -9.495   2.560
  776   3HD2  LEU 101          HD23      LEU 101 173.826  -9.247   0.864
  777    H    HIS 102           HN       HIS 102 173.414  -5.372   0.692
  778    HA   HIS 102           HA       HIS 102 174.494  -6.724  -1.507
  779   1HB   HIS 102          HB2       HIS 102 172.935  -4.687  -1.482
  780   2HB   HIS 102          HB1       HIS 102 174.398  -3.718  -1.331
  781    HD2  HIS 102           HD2      HIS 102 176.061  -5.731  -3.528
  782    HE1  HIS 102           HE1      HIS 102 173.197  -4.048  -6.150
  783    HE2  HIS 102           HE2      HIS 102 175.484  -5.128  -5.984
  784    H    LEU 103           HN       LEU 103 175.977  -3.975   0.254
  785    HA   LEU 103           HA       LEU 103 178.347  -3.858  -1.114
  786   1HB   LEU 103          HB2       LEU 103 177.591  -3.263   1.713
  787   2HB   LEU 103          HB1       LEU 103 179.262  -3.124   1.210
  788    HG   LEU 103           HG       LEU 103 177.015  -1.691  -0.187
  789   1HD1  LEU 103          HD11      LEU 103 176.861  -0.599   1.790
  790   2HD1  LEU 103          HD12      LEU 103 178.218   0.290   1.099
  791   3HD1  LEU 103          HD13      LEU 103 178.509  -0.995   2.270
  792   1HD2  LEU 103          HD21      LEU 103 178.563  -0.909  -1.579
  793   2HD2  LEU 103          HD22      LEU 103 179.642  -2.143  -0.929
  794   3HD2  LEU 103          HD23      LEU 103 179.662  -0.513  -0.258
  795    H    LYS 104           HN       LYS 104 177.593  -5.958   1.667
  796    HA   LYS 104           HA       LYS 104 180.149  -7.115   1.866
  797   1HB   LYS 104          HB2       LYS 104 179.260  -8.462   3.474
  798   2HB   LYS 104          HB1       LYS 104 177.956  -7.291   3.397
  799   1HG   LYS 104          HG2       LYS 104 177.058  -8.993   1.564
  800   2HG   LYS 104          HG1       LYS 104 178.036 -10.113   2.510
  801   1HD   LYS 104          HD2       LYS 104 176.107  -8.255   3.852
  802   2HD   LYS 104          HD1       LYS 104 175.549  -9.771   3.141
  803   1HE   LYS 104          HE2       LYS 104 177.801  -9.597   5.132
  804   2HE   LYS 104          HE1       LYS 104 176.120  -9.867   5.590
  805   1HZ   LYS 104          HZ1       LYS 104 176.193 -11.829   4.037
  806   2HZ   LYS 104          HZ2       LYS 104 177.110 -11.977   5.450
  807   3HZ   LYS 104          HZ3       LYS 104 177.872 -11.630   3.980
  808    H    LYS 105           HN       LYS 105 177.335  -7.839  -0.085
  809    HA   LYS 105           HA       LYS 105 178.235 -10.265  -1.207
  810   1HB   LYS 105          HB2       LYS 105 176.075  -8.375  -1.595
  811   2HB   LYS 105          HB1       LYS 105 176.679  -8.945  -3.142
  812   1HG   LYS 105          HG2       LYS 105 175.893 -11.035  -2.829
  813   2HG   LYS 105          HG1       LYS 105 176.228 -11.012  -1.095
  814   1HD   LYS 105          HD2       LYS 105 174.281  -9.256  -1.061
  815   2HD   LYS 105          HD1       LYS 105 173.835 -10.031  -2.584
  816   1HE   LYS 105          HE2       LYS 105 172.699 -10.994  -0.590
  817   2HE   LYS 105          HE1       LYS 105 173.639 -12.165  -1.514
  818   1HZ   LYS 105          HZ1       LYS 105 175.024 -10.835   0.672
  819   2HZ   LYS 105          HZ2       LYS 105 175.103 -12.445   0.160
  820   3HZ   LYS 105          HZ3       LYS 105 173.808 -11.926   1.116
  821    H    LEU 106           HN       LEU 106 178.979  -6.938  -1.785
  822    HA   LEU 106           HA       LEU 106 180.131  -7.226  -4.366
  823   1HB   LEU 106          HB2       LEU 106 179.288  -5.096  -3.133
  824   2HB   LEU 106          HB1       LEU 106 180.902  -5.068  -2.449
  825    HG   LEU 106           HG       LEU 106 181.791  -5.072  -4.815
  826   1HD1  LEU 106          HD11      LEU 106 179.874  -5.904  -5.991
  827   2HD1  LEU 106          HD12      LEU 106 180.205  -4.262  -6.543
  828   3HD1  LEU 106          HD13      LEU 106 178.883  -4.563  -5.415
  829   1HD2  LEU 106          HD21      LEU 106 180.126  -2.791  -3.777
  830   2HD2  LEU 106          HD22      LEU 106 181.197  -2.651  -5.171
  831   3HD2  LEU 106          HD23      LEU 106 181.861  -3.046  -3.586
  832    H    PHE 107           HN       PHE 107 181.666  -6.538  -1.245
  833    HA   PHE 107           HA       PHE 107 184.283  -7.073  -2.102
  834   1HB   PHE 107          HB2       PHE 107 183.927  -5.906   0.007
  835   2HB   PHE 107          HB1       PHE 107 183.103  -7.312   0.679
  836    HD1  PHE 107           HD1      PHE 107 186.238  -7.216  -1.304
  837    HD2  PHE 107           HD2      PHE 107 184.444  -7.907   2.492
  838    HE1  PHE 107           HE1      PHE 107 188.382  -8.067  -0.450
  839    HE2  PHE 107           HE2      PHE 107 186.585  -8.757   3.354
  840    HZ   PHE 107           HZ       PHE 107 188.558  -8.838   1.882
  841    H    ARG 108           HN       ARG 108 181.668  -9.178  -1.320
  842    HA   ARG 108           HA       ARG 108 183.302 -11.501  -0.829
  843   1HB   ARG 108          HB2       ARG 108 180.392 -10.916  -0.989
  844   2HB   ARG 108          HB1       ARG 108 180.898 -12.575  -1.277
  845   1HG   ARG 108          HG2       ARG 108 181.650 -12.865   0.874
  846   2HG   ARG 108          HG1       ARG 108 181.914 -11.139   1.128
  847   1HD   ARG 108          HD2       ARG 108 179.700 -10.730   1.592
  848   2HD   ARG 108          HD1       ARG 108 179.140 -12.119   0.662
  849    HE   ARG 108           HE       ARG 108 179.360 -13.424   2.534
  850   1HH1  ARG 108          HH11      ARG 108 181.015 -10.396   3.056
  851   2HH1  ARG 108          HH12      ARG 108 181.296 -10.696   4.738
  852   1HH2  ARG 108          HH21      ARG 108 179.729 -13.820   4.746
  853   2HH2  ARG 108          HH22      ARG 108 180.566 -12.640   5.698
  854    H    GLU 109           HN       GLU 109 181.554 -10.144  -3.572
  855    HA   GLU 109           HA       GLU 109 182.097 -12.462  -5.225
  856   1HB   GLU 109          HB2       GLU 109 180.825  -9.798  -5.862
  857   2HB   GLU 109          HB1       GLU 109 180.982 -11.122  -7.008
  858   1HG   GLU 109          HG2       GLU 109 179.675 -11.724  -4.424
  859   2HG   GLU 109          HG1       GLU 109 178.790 -10.711  -5.564
  860    H    GLY 110           HN       GLY 110 183.748  -9.622  -4.379
  861   1HA   GLY 110          HA2       GLY 110 185.037  -8.832  -6.693
  862   2HA   GLY 110          HA1       GLY 110 185.740  -8.737  -5.088
  863    H    ARG 111           HN       ARG 111 187.468  -9.967  -4.647
  864    HA   ARG 111           HA       ARG 111 188.204 -12.028  -6.607
  865   1HB   ARG 111          HB2       ARG 111 189.751  -9.900  -5.231
  866   2HB   ARG 111          HB1       ARG 111 190.560 -11.438  -5.474
  867   1HG   ARG 111          HG2       ARG 111 190.176 -11.294  -7.865
  868   2HG   ARG 111          HG1       ARG 111 189.287  -9.786  -7.641
  869   1HD   ARG 111          HD2       ARG 111 191.559  -9.116  -6.412
  870   2HD   ARG 111          HD1       ARG 111 192.201 -10.316  -7.533
  871    HE   ARG 111           HE       ARG 111 191.355  -7.687  -8.169
  872   1HH1  ARG 111          HH11      ARG 111 191.399 -10.943  -9.423
  873   2HH1  ARG 111          HH12      ARG 111 191.377 -10.439 -11.079
  874   1HH2  ARG 111          HH21      ARG 111 191.326  -7.021 -10.347
  875   2HH2  ARG 111          HH22      ARG 111 191.336  -8.213 -11.604
  876    H    PHE 112           HN       PHE 112 186.545 -12.738  -4.584
  877    HA   PHE 112           HA       PHE 112 187.921 -13.760  -2.303
  878   1HB   PHE 112          HB2       PHE 112 185.852 -14.376  -1.566
  879   2HB   PHE 112          HB1       PHE 112 185.364 -13.210  -2.789
  880    HD1  PHE 112           HD1      PHE 112 185.745 -16.773  -2.051
  881    HD2  PHE 112           HD2      PHE 112 184.182 -13.864  -4.718
  882    HE1  PHE 112           HE1      PHE 112 184.422 -18.529  -3.173
  883    HE2  PHE 112           HE2      PHE 112 182.850 -15.603  -5.852
  884    HZ   PHE 112           HZ       PHE 112 182.972 -17.941  -5.078
  885    H    ASN 113           HN       ASN 113 186.879 -15.042  -5.389
  886    HA   ASN 113           HA       ASN 113 188.883 -16.998  -5.528
  887   1HB   ASN 113          HB2       ASN 113 187.054 -17.836  -3.732
  888   2HB   ASN 113          HB1       ASN 113 186.323 -18.459  -5.208
  889   1HD2  ASN 113          HD21      ASN 113 187.767 -19.738  -6.620
  890   2HD2  ASN 113          HD22      ASN 113 188.920 -20.779  -5.864
  Start of MODEL   20
    1   1H    GLY   1          HT1       GLY   1 188.350   6.983   7.007
    2   2H    GLY   1          HT2       GLY   1 189.862   6.234   6.882
    3   3H    GLY   1          HT3       GLY   1 189.312   7.241   5.639
    4   1HA   GLY   1          HA1       GLY   1 189.646   9.173   6.833
    5   2HA   GLY   1          HA2       GLY   1 189.630   8.309   8.363
    6    H    GLY   2           HN       GLY   2 191.587  10.056   6.568
    7   1HA   GLY   2          HA2       GLY   2 193.941   9.638   7.754
    8   2HA   GLY   2          HA1       GLY   2 193.923   8.321   6.590
    9    HA   PRO   3           HA       PRO   3 195.297  12.720   4.915
   10   1HB   PRO   3          HB2       PRO   3 197.946  11.358   5.026
   11   2HB   PRO   3          HB1       PRO   3 197.540  13.056   5.304
   12   1HG   PRO   3          HG2       PRO   3 198.091  11.443   7.348
   13   2HG   PRO   3          HG1       PRO   3 196.811  12.664   7.472
   14   1HD   PRO   3          HD2       PRO   3 196.587   9.711   7.098
   15   2HD   PRO   3          HD1       PRO   3 195.545  10.816   8.017
   16    H    VAL   4           HN       VAL   4 196.127  13.010   2.752
   17    HA   VAL   4           HA       VAL   4 196.082  12.493   0.532
   18    HB   VAL   4           HB       VAL   4 197.572  10.058   1.512
   19   1HG1  VAL   4          1HG1      VAL   4 196.749   9.851  -0.805
   20   2HG1  VAL   4          2HG1      VAL   4 198.509   9.927  -0.718
   21   3HG1  VAL   4          3HG1      VAL   4 197.588  11.346  -1.216
   22   1HG2  VAL   4          1HG2      VAL   4 199.550  11.278   1.397
   23   2HG2  VAL   4          2HG2      VAL   4 198.414  12.412   2.127
   24   3HG2  VAL   4          3HG2      VAL   4 198.821  12.550   0.416
   25    HA   PRO   5           HA       PRO   5 192.449   9.659   0.847
   26   1HB   PRO   5          HB2       PRO   5 190.841  11.129  -0.762
   27   2HB   PRO   5          HB1       PRO   5 191.031  11.465   0.962
   28   1HG   PRO   5          HG2       PRO   5 192.336  12.795  -1.381
   29   2HG   PRO   5          HG1       PRO   5 191.634  13.529   0.073
   30   1HD   PRO   5          HD2       PRO   5 194.301  13.153  -0.234
   31   2HD   PRO   5          HD1       PRO   5 193.501  13.087   1.349
   32    HA   PRO   6           HA       PRO   6 193.980   7.973  -3.093
   33   1HB   PRO   6          HB2       PRO   6 193.139   5.436  -2.643
   34   2HB   PRO   6          HB1       PRO   6 194.624   6.089  -1.942
   35   1HG   PRO   6          HG2       PRO   6 191.919   5.778  -0.696
   36   2HG   PRO   6          HG1       PRO   6 193.515   5.422  -0.008
   37   1HD   PRO   6          HD2       PRO   6 192.153   7.691   0.566
   38   2HD   PRO   6          HD1       PRO   6 193.926   7.631   0.503
   39    H    SER   7           HN       SER   7 192.939   7.878  -4.993
   40    HA   SER   7           HA       SER   7 190.066   8.138  -5.035
   41   1HB   SER   7          HB2       SER   7 191.943   9.229  -6.591
   42   2HB   SER   7          HB1       SER   7 191.613   7.792  -7.559
   43    HG   SER   7           HG       SER   7 189.325   8.449  -7.328
   44    H    THR   8           HN       THR   8 192.447   5.679  -5.741
   45    HA   THR   8           HA       THR   8 190.874   3.916  -7.240
   46    HB   THR   8           HB       THR   8 193.087   3.247  -5.289
   47    HG1  THR   8           1HG      THR   8 193.242   3.681  -8.084
   48   1HG2  THR   8          1HG2      THR   8 192.523   1.142  -5.779
   49   2HG2  THR   8          2HG2      THR   8 193.328   1.475  -7.313
   50   3HG2  THR   8          3HG2      THR   8 191.574   1.612  -7.189
   51    H    ALA   9           HN       ALA   9 191.012   4.537  -3.809
   52    HA   ALA   9           HA       ALA   9 189.828   2.244  -2.790
   53   1HB   ALA   9          HB1       ALA   9 189.858   5.097  -1.898
   54   2HB   ALA   9          HB2       ALA   9 190.646   3.690  -1.182
   55   3HB   ALA   9          HB3       ALA   9 188.902   3.900  -1.024
   56    H    LEU  10           HN       LEU  10 188.408   4.869  -4.579
   57    HA   LEU  10           HA       LEU  10 185.704   4.400  -3.852
   58   1HB   LEU  10          HB2       LEU  10 186.319   6.518  -4.801
   59   2HB   LEU  10          HB1       LEU  10 186.958   5.749  -6.241
   60    HG   LEU  10           HG       LEU  10 184.549   4.945  -6.657
   61   1HD1  LEU  10          HD11      LEU  10 183.243   5.342  -4.860
   62   2HD1  LEU  10          HD12      LEU  10 183.046   6.914  -5.635
   63   3HD1  LEU  10          HD13      LEU  10 184.208   6.717  -4.323
   64   1HD2  LEU  10          HD21      LEU  10 185.592   7.727  -6.944
   65   2HD2  LEU  10          HD22      LEU  10 183.949   7.350  -7.463
   66   3HD2  LEU  10          HD23      LEU  10 185.317   6.496  -8.177
   67    H    ARG  11           HN       ARG  11 187.685   3.352  -6.604
   68    HA   ARG  11           HA       ARG  11 185.731   1.966  -8.012
   69   1HB   ARG  11          HB2       ARG  11 187.492   1.736  -9.367
   70   2HB   ARG  11          HB1       ARG  11 188.578   2.227  -8.078
   71   1HG   ARG  11          HG2       ARG  11 188.761  -0.084  -7.331
   72   2HG   ARG  11          HG1       ARG  11 187.636  -0.588  -8.594
   73   1HD   ARG  11          HD2       ARG  11 189.178  -0.354 -10.252
   74   2HD   ARG  11          HD1       ARG  11 190.014   0.966  -9.436
   75    HE   ARG  11           HE       ARG  11 190.524  -1.228  -7.892
   76   1HH1  ARG  11          HH11      ARG  11 190.994  -0.422 -11.255
   77   2HH1  ARG  11          HH12      ARG  11 192.393  -1.427 -11.430
   78   1HH2  ARG  11          HH21      ARG  11 192.364  -2.550  -8.120
   79   2HH2  ARG  11          HH22      ARG  11 193.171  -2.635  -9.650
   80    H    GLU  12           HN       GLU  12 187.350   1.172  -5.060
   81    HA   GLU  12           HA       GLU  12 186.946  -1.614  -5.050
   82   1HB   GLU  12          HB2       GLU  12 187.865   0.405  -3.205
   83   2HB   GLU  12          HB1       GLU  12 186.814  -0.740  -2.384
   84   1HG   GLU  12          HG2       GLU  12 188.198  -2.576  -3.031
   85   2HG   GLU  12          HG1       GLU  12 189.170  -1.538  -4.073
   86    H    LEU  13           HN       LEU  13 185.046   0.972  -3.434
   87    HA   LEU  13           HA       LEU  13 182.986  -0.842  -2.688
   88   1HB   LEU  13          HB2       LEU  13 182.461   0.848  -1.348
   89   2HB   LEU  13          HB1       LEU  13 183.682   1.829  -2.123
   90    HG   LEU  13           HG       LEU  13 181.999   2.682  -3.702
   91   1HD1  LEU  13          HD11      LEU  13 179.584   2.003  -2.459
   92   2HD1  LEU  13          HD12      LEU  13 180.462   0.490  -2.671
   93   3HD1  LEU  13          HD13      LEU  13 180.141   1.523  -4.062
   94   1HD2  LEU  13          HD21      LEU  13 182.399   3.464  -1.169
   95   2HD2  LEU  13          HD22      LEU  13 180.678   3.095  -1.091
   96   3HD2  LEU  13          HD23      LEU  13 181.276   4.270  -2.263
   97    H    ILE  14           HN       ILE  14 183.584   1.153  -5.481
   98    HA   ILE  14           HA       ILE  14 181.001   1.154  -6.566
   99    HB   ILE  14           HB       ILE  14 183.712   1.758  -7.522
  100   1HG1  ILE  14          2HG1      ILE  14 182.566   3.700  -8.471
  101   2HG1  ILE  14          1HG1      ILE  14 181.004   2.974  -8.103
  102   1HG2  ILE  14          1HG2      ILE  14 182.852   1.855  -9.933
  103   2HG2  ILE  14          2HG2      ILE  14 181.641   0.685  -9.408
  104   3HG2  ILE  14          3HG2      ILE  14 183.357   0.290  -9.297
  105   1HD1  ILE  14          HD11      ILE  14 181.661   4.714  -6.500
  106   2HD1  ILE  14          HD12      ILE  14 183.068   3.748  -6.056
  107   3HD1  ILE  14          HD13      ILE  14 181.443   3.138  -5.740
  108    H    GLU  15           HN       GLU  15 183.768  -0.890  -7.556
  109    HA   GLU  15           HA       GLU  15 182.189  -2.595  -9.157
  110   1HB   GLU  15          HB2       GLU  15 184.877  -3.231  -7.947
  111   2HB   GLU  15          HB1       GLU  15 184.160  -3.959  -9.378
  112   1HG   GLU  15          HG2       GLU  15 184.946  -1.067  -9.120
  113   2HG   GLU  15          HG1       GLU  15 185.910  -2.317  -9.903
  114    H    GLU  16           HN       GLU  16 183.318  -2.922  -5.811
  115    HA   GLU  16           HA       GLU  16 182.570  -5.603  -5.452
  116   1HB   GLU  16          HB2       GLU  16 184.010  -4.059  -3.988
  117   2HB   GLU  16          HB1       GLU  16 182.496  -3.529  -3.287
  118   1HG   GLU  16          HG2       GLU  16 182.003  -5.766  -2.544
  119   2HG   GLU  16          HG1       GLU  16 183.441  -6.383  -3.356
  120    H    LEU  17           HN       LEU  17 180.851  -2.622  -4.606
  121    HA   LEU  17           HA       LEU  17 178.530  -3.975  -3.692
  122   1HB   LEU  17          HB2       LEU  17 179.010  -1.092  -4.429
  123   2HB   LEU  17          HB1       LEU  17 177.525  -1.686  -3.718
  124    HG   LEU  17           HG       LEU  17 180.231  -1.427  -2.455
  125   1HD1  LEU  17          HD11      LEU  17 178.280   0.310  -2.437
  126   2HD1  LEU  17          HD12      LEU  17 179.196  -0.018  -0.967
  127   3HD1  LEU  17          HD13      LEU  17 177.611  -0.756  -1.203
  128   1HD2  LEU  17          HD21      LEU  17 179.497  -3.713  -1.991
  129   2HD2  LEU  17          HD22      LEU  17 177.950  -3.099  -1.406
  130   3HD2  LEU  17          HD23      LEU  17 179.436  -2.711  -0.541
  131    H    VAL  18           HN       VAL  18 179.636  -2.776  -6.760
  132    HA   VAL  18           HA       VAL  18 177.093  -2.776  -7.998
  133    HB   VAL  18           HB       VAL  18 179.530  -1.849  -8.768
  134   1HG1  VAL  18          1HG1      VAL  18 179.007  -4.019 -10.758
  135   2HG1  VAL  18          2HG1      VAL  18 180.109  -4.256  -9.402
  136   3HG1  VAL  18          3HG1      VAL  18 180.428  -2.988 -10.585
  137   1HG2  VAL  18          1HG2      VAL  18 178.464  -1.060 -10.718
  138   2HG2  VAL  18          2HG2      VAL  18 177.207  -1.187  -9.488
  139   3HG2  VAL  18          3HG2      VAL  18 177.343  -2.422 -10.740
  140    H    ASN  19           HN       ASN  19 179.591  -5.113  -7.452
  141    HA   ASN  19           HA       ASN  19 178.606  -7.143  -9.179
  142   1HB   ASN  19          HB2       ASN  19 180.941  -7.066  -8.333
  143   2HB   ASN  19          HB1       ASN  19 180.343  -7.433  -6.718
  144   1HD2  ASN  19          HD21      ASN  19 180.434  -9.475  -6.157
  145   2HD2  ASN  19          HD22      ASN  19 180.423 -10.831  -7.227
  146    H    ILE  20           HN       ILE  20 178.374  -6.686  -5.623
  147    HA   ILE  20           HA       ILE  20 176.780  -8.917  -5.131
  148    HB   ILE  20           HB       ILE  20 176.231  -7.886  -3.037
  149   1HG1  ILE  20          2HG1      ILE  20 177.266  -5.352  -4.291
  150   2HG1  ILE  20          1HG1      ILE  20 175.629  -5.654  -3.708
  151   1HG2  ILE  20          1HG2      ILE  20 178.271  -8.385  -2.344
  152   2HG2  ILE  20          2HG2      ILE  20 178.870  -6.836  -2.940
  153   3HG2  ILE  20          3HG2      ILE  20 178.851  -8.243  -4.003
  154   1HD1  ILE  20          HD11      ILE  20 176.754  -5.971  -1.413
  155   2HD1  ILE  20          HD12      ILE  20 176.570  -4.339  -2.053
  156   3HD1  ILE  20          HD13      ILE  20 178.132  -5.152  -2.148
  157    H    THR  21           HN       THR  21 175.919  -5.621  -6.069
  158    HA   THR  21           HA       THR  21 173.088  -6.109  -5.819
  159    HB   THR  21           HB       THR  21 174.159  -3.864  -5.472
  160    HG1  THR  21           1HG      THR  21 172.471  -2.764  -6.494
  161   1HG2  THR  21          1HG2      THR  21 175.650  -4.012  -7.501
  162   2HG2  THR  21          2HG2      THR  21 174.792  -2.489  -7.266
  163   3HG2  THR  21          3HG2      THR  21 174.217  -3.650  -8.462
  164    H    GLN  22           HN       GLN  22 175.491  -6.469  -8.268
  165    HA   GLN  22           HA       GLN  22 174.040  -6.211 -10.608
  166   1HB   GLN  22          HB2       GLN  22 176.531  -7.417  -9.795
  167   2HB   GLN  22          HB1       GLN  22 175.734  -8.422 -10.997
  168   1HG   GLN  22          HG2       GLN  22 175.495  -6.343 -12.401
  169   2HG   GLN  22          HG1       GLN  22 176.570  -5.550 -11.251
  170   1HE2  GLN  22          1HE2      GLN  22 178.727  -6.198 -11.127
  171   2HE2  GLN  22          2HE2      GLN  22 179.482  -7.103 -12.390
  172    H    ASN  23           HN       ASN  23 173.800  -8.650  -8.171
  173    HA   ASN  23           HA       ASN  23 172.852 -10.847  -9.518
  174   1HB   ASN  23          HB2       ASN  23 172.408  -9.710  -6.810
  175   2HB   ASN  23          HB1       ASN  23 171.297 -10.967  -7.339
  176   1HD2  ASN  23          HD21      ASN  23 174.666 -10.188  -6.790
  177   2HD2  ASN  23          HD22      ASN  23 175.201 -11.813  -6.558
  178    H    GLN  24           HN       GLN  24 170.976 -11.467 -10.457
  179    HA   GLN  24           HA       GLN  24 169.251  -9.581 -11.550
  180   1HB   GLN  24          HB2       GLN  24 169.304 -12.526 -11.321
  181   2HB   GLN  24          HB1       GLN  24 167.723 -11.820 -11.625
  182   1HG   GLN  24          HG2       GLN  24 169.816 -10.717 -13.322
  183   2HG   GLN  24          HG1       GLN  24 169.596 -12.455 -13.519
  184   1HE2  GLN  24          1HE2      GLN  24 168.660  -9.547 -14.656
  185   2HE2  GLN  24          2HE2      GLN  24 167.113  -9.959 -15.305
  186    H    LYS  25           HN       LYS  25 166.684 -10.181 -11.230
  187    HA   LYS  25           HA       LYS  25 165.897  -8.817  -8.944
  188   1HB   LYS  25          HB2       LYS  25 164.271 -10.800 -10.544
  189   2HB   LYS  25          HB1       LYS  25 163.624  -9.580  -9.456
  190   1HG   LYS  25          HG2       LYS  25 163.407  -8.348 -11.305
  191   2HG   LYS  25          HG1       LYS  25 165.138  -8.059 -11.123
  192   1HD   LYS  25          HD2       LYS  25 165.125 -10.433 -12.454
  193   2HD   LYS  25          HD1       LYS  25 163.685  -9.656 -13.114
  194   1HE   LYS  25          HE2       LYS  25 166.514  -8.629 -13.130
  195   2HE   LYS  25          HE1       LYS  25 165.511  -9.059 -14.515
  196   1HZ   LYS  25          HZ1       LYS  25 164.026  -7.212 -13.918
  197   2HZ   LYS  25          HZ2       LYS  25 165.592  -6.685 -14.280
  198   3HZ   LYS  25          HZ3       LYS  25 165.082  -6.772 -12.670
  199    H    ALA  26           HN       ALA  26 166.710 -12.150  -9.338
  200    HA   ALA  26           HA       ALA  26 165.311 -13.469  -7.404
  201   1HB   ALA  26          HB1       ALA  26 168.199 -14.053  -7.408
  202   2HB   ALA  26          HB2       ALA  26 167.397 -14.116  -8.977
  203   3HB   ALA  26          HB3       ALA  26 166.820 -15.126  -7.651
  204    HA   PRO  27           HA       PRO  27 166.489 -11.838  -3.479
  205   1HB   PRO  27          HB2       PRO  27 166.061 -13.845  -1.847
  206   2HB   PRO  27          HB1       PRO  27 164.724 -13.222  -2.836
  207   1HG   PRO  27          HG2       PRO  27 166.591 -15.463  -3.442
  208   2HG   PRO  27          HG1       PRO  27 164.819 -15.553  -3.360
  209   1HD   PRO  27          HD2       PRO  27 166.090 -15.242  -5.701
  210   2HD   PRO  27          HD1       PRO  27 164.585 -14.353  -5.370
  211    H    LEU  28           HN       LEU  28 167.833 -12.405  -1.448
  212    HA   LEU  28           HA       LEU  28 170.502 -13.047  -2.376
  213   1HB   LEU  28          HB2       LEU  28 170.315 -11.098  -1.015
  214   2HB   LEU  28          HB1       LEU  28 169.432 -11.970   0.223
  215    HG   LEU  28           HG       LEU  28 171.400 -13.166   0.894
  216   1HD1  LEU  28          HD11      LEU  28 172.937 -11.757  -1.275
  217   2HD1  LEU  28          HD12      LEU  28 172.302 -13.395  -1.438
  218   3HD1  LEU  28          HD13      LEU  28 173.501 -13.034  -0.196
  219   1HD2  LEU  28          HD21      LEU  28 172.989 -11.007   1.104
  220   2HD2  LEU  28          HD22      LEU  28 171.561 -11.270   2.105
  221   3HD2  LEU  28          HD23      LEU  28 171.464 -10.226   0.687
  222    H    CYS  29           HN       CYS  29 169.239 -13.842   0.811
  223    HA   CYS  29           HA       CYS  29 169.920 -16.663   0.307
  224   1HB   CYS  29          HB2       CYS  29 171.079 -14.890   2.182
  225   2HB   CYS  29          HB1       CYS  29 170.096 -16.022   3.103
  226    H    ASN  30           HN       ASN  30 167.982 -17.596   0.045
  227    HA   ASN  30           HA       ASN  30 165.805 -18.199   0.384
  228   1HB   ASN  30          HB2       ASN  30 165.379 -19.159   2.552
  229   2HB   ASN  30          HB1       ASN  30 167.058 -19.467   2.125
  230   1HD2  ASN  30          HD21      ASN  30 168.630 -18.772   3.439
  231   2HD2  ASN  30          HD22      ASN  30 168.376 -17.836   4.869
  232    H    GLY  31           HN       GLY  31 166.286 -15.300   0.400
  233   1HA   GLY  31          HA2       GLY  31 165.196 -13.338   0.901
  234   2HA   GLY  31          HA1       GLY  31 163.759 -14.348   0.910
  235    H    SER  32           HN       SER  32 166.429 -13.220   2.952
  236    HA   SER  32           HA       SER  32 164.656 -13.520   5.289
  237   1HB   SER  32          HB2       SER  32 167.679 -13.387   5.310
  238   2HB   SER  32          HB1       SER  32 166.621 -13.758   6.672
  239    HG   SER  32           HG       SER  32 167.668 -15.443   4.932
  240    H    MET  33           HN       MET  33 163.758 -11.607   5.751
  241    HA   MET  33           HA       MET  33 164.537  -9.119   4.928
  242   1HB   MET  33          HB2       MET  33 163.216  -9.647   7.584
  243   2HB   MET  33          HB1       MET  33 163.058  -8.232   6.564
  244   1HG   MET  33          HG2       MET  33 162.023  -9.733   4.830
  245   2HG   MET  33          HG1       MET  33 161.963 -10.971   6.081
  246   1HE   MET  33          HE1       MET  33 159.633  -7.759   4.791
  247   2HE   MET  33          HE2       MET  33 161.325  -7.458   5.189
  248   3HE   MET  33          HE3       MET  33 160.050  -6.879   6.261
  249    H    VAL  34           HN       VAL  34 165.382  -7.301   6.142
  250    HA   VAL  34           HA       VAL  34 167.042  -7.783   8.443
  251    HB   VAL  34           HB       VAL  34 169.024  -6.695   6.980
  252   1HG1  VAL  34          1HG1      VAL  34 169.393  -9.425   6.558
  253   2HG1  VAL  34          2HG1      VAL  34 168.371  -9.317   7.992
  254   3HG1  VAL  34          3HG1      VAL  34 169.923  -8.482   7.952
  255   1HG2  VAL  34          1HG2      VAL  34 167.443  -7.023   4.943
  256   2HG2  VAL  34          2HG2      VAL  34 167.948  -8.709   5.046
  257   3HG2  VAL  34          3HG2      VAL  34 169.149  -7.443   4.790
  258    H    TRP  35           HN       TRP  35 168.008  -5.766   9.268
  259    HA   TRP  35           HA       TRP  35 166.206  -3.616   9.066
  260   1HB   TRP  35          HB2       TRP  35 169.018  -3.375  10.100
  261   2HB   TRP  35          HB1       TRP  35 167.609  -2.415  10.519
  262    HD1  TRP  35           HD1      TRP  35 169.645  -4.632  12.211
  263    HE1  TRP  35           HE1      TRP  35 168.399  -6.065  13.923
  264    HE3  TRP  35           HE3      TRP  35 164.872  -4.004  10.497
  265    HZ2  TRP  35           HZ2      TRP  35 165.746  -6.852  14.494
  266    HZ3  TRP  35           HZ3      TRP  35 163.035  -5.132  11.684
  267    HH2  TRP  35           HH2      TRP  35 163.465  -6.527  13.642
  268    H    SER  36           HN       SER  36 165.939  -2.462   7.362
  269    HA   SER  36           HA       SER  36 167.555  -2.067   5.186
  270   1HB   SER  36          HB2       SER  36 165.081  -1.147   5.964
  271   2HB   SER  36          HB1       SER  36 166.022   0.340   5.858
  272    HG   SER  36           HG       SER  36 165.316   0.035   3.830
  273    H    ILE  37           HN       ILE  37 169.121  -0.621   4.545
  274    HA   ILE  37           HA       ILE  37 170.965   0.282   6.341
  275    HB   ILE  37           HB       ILE  37 170.595   1.704   3.717
  276   1HG1  ILE  37          2HG1      ILE  37 170.244  -0.594   3.085
  277   2HG1  ILE  37          1HG1      ILE  37 171.914  -0.193   2.702
  278   1HG2  ILE  37          1HG2      ILE  37 172.943   0.714   5.296
  279   2HG2  ILE  37          2HG2      ILE  37 172.383   2.380   5.181
  280   3HG2  ILE  37          3HG2      ILE  37 173.040   1.570   3.759
  281   1HD1  ILE  37          HD11      ILE  37 170.830  -2.081   4.684
  282   2HD1  ILE  37          HD12      ILE  37 172.265  -1.172   5.162
  283   3HD1  ILE  37          HD13      ILE  37 172.295  -2.169   3.706
  284    H    ASN  38           HN       ASN  38 171.606   2.357   7.006
  285    HA   ASN  38           HA       ASN  38 169.380   4.273   7.242
  286   1HB   ASN  38          HB2       ASN  38 171.367   3.262   9.185
  287   2HB   ASN  38          HB1       ASN  38 171.071   4.996   9.246
  288   1HD2  ASN  38          HD21      ASN  38 170.409   3.816  11.437
  289   2HD2  ASN  38          HD22      ASN  38 168.707   3.556  11.583
  290    H    LEU  39           HN       LEU  39 170.517   4.633   4.991
  291    HA   LEU  39           HA       LEU  39 172.882   5.787   4.474
  292   1HB   LEU  39          HB2       LEU  39 170.371   7.053   3.428
  293   2HB   LEU  39          HB1       LEU  39 171.908   6.845   2.614
  294    HG   LEU  39           HG       LEU  39 169.912   4.679   3.261
  295   1HD1  LEU  39          HD11      LEU  39 170.522   6.294   0.890
  296   2HD1  LEU  39          HD12      LEU  39 169.036   5.471   1.364
  297   3HD1  LEU  39          HD13      LEU  39 170.346   4.561   0.611
  298   1HD2  LEU  39          HD21      LEU  39 171.728   3.368   3.367
  299   2HD2  LEU  39          HD22      LEU  39 172.768   4.569   2.603
  300   3HD2  LEU  39          HD23      LEU  39 171.737   3.537   1.612
  301    H    THR  40           HN       THR  40 170.367   7.244   6.364
  302    HA   THR  40           HA       THR  40 170.988   9.930   6.218
  303    HB   THR  40           HB       THR  40 169.058   9.456   7.422
  304    HG1  THR  40           1HG      THR  40 169.821  11.027   8.637
  305   1HG2  THR  40          1HG2      THR  40 169.902   8.033   9.735
  306   2HG2  THR  40          2HG2      THR  40 170.387   7.135   8.297
  307   3HG2  THR  40          3HG2      THR  40 168.698   7.584   8.528
  308    H    ALA  41           HN       ALA  41 172.164   7.730   8.785
  309    HA   ALA  41           HA       ALA  41 174.765   9.021   8.699
  310   1HB   ALA  41          HB1       ALA  41 173.379   8.896  11.355
  311   2HB   ALA  41          HB2       ALA  41 173.206  10.297  10.298
  312   3HB   ALA  41          HB3       ALA  41 174.801   9.828  10.886
  313    H    GLY  42           HN       GLY  42 176.426   7.750   9.532
  314   1HA   GLY  42          HA2       GLY  42 177.461   5.734   9.950
  315   2HA   GLY  42          HA1       GLY  42 176.266   5.587  11.230
  316    H    MET  43           HN       MET  43 175.424   5.748   7.851
  317    HA   MET  43           HA       MET  43 173.748   3.541   7.890
  318   1HB   MET  43          HB2       MET  43 173.781   3.686   5.438
  319   2HB   MET  43          HB1       MET  43 173.621   5.262   6.185
  320   1HG   MET  43          HG2       MET  43 175.132   5.680   4.531
  321   2HG   MET  43          HG1       MET  43 176.178   5.399   5.919
  322   1HE   MET  43          HE1       MET  43 174.947   1.965   3.350
  323   2HE   MET  43          HE2       MET  43 175.250   3.296   2.234
  324   3HE   MET  43          HE3       MET  43 174.090   3.493   3.547
  325    H    TYR  44           HN       TYR  44 177.197   3.715   7.256
  326    HA   TYR  44           HA       TYR  44 177.580   1.217   6.067
  327   1HB   TYR  44          HB2       TYR  44 179.515   2.429   8.039
  328   2HB   TYR  44          HB1       TYR  44 179.876   1.412   6.650
  329    HD1  TYR  44           HD1      TYR  44 179.795   2.355   4.363
  330    HD2  TYR  44           HD2      TYR  44 179.184   4.793   7.801
  331    HE1  TYR  44           HE1      TYR  44 180.177   4.364   3.003
  332    HE2  TYR  44           HE2      TYR  44 179.564   6.807   6.445
  333    HH   TYR  44           HH       TYR  44 180.765   7.388   4.309
  334    H    CYS  45           HN       CYS  45 177.737   2.118   9.509
  335    HA   CYS  45           HA       CYS  45 178.161  -0.462  10.516
  336   1HB   CYS  45          HB2       CYS  45 177.006   2.051  11.692
  337   2HB   CYS  45          HB1       CYS  45 177.007   0.556  12.618
  338    H    ALA  46           HN       ALA  46 175.357   1.029   9.206
  339    HA   ALA  46           HA       ALA  46 173.402  -0.579  10.521
  340   1HB   ALA  46          HB1       ALA  46 171.826   0.451   9.151
  341   2HB   ALA  46          HB2       ALA  46 172.987   0.712   7.849
  342   3HB   ALA  46          HB3       ALA  46 173.083   1.676   9.323
  343    H    ALA  47           HN       ALA  47 174.662  -0.597   7.187
  344    HA   ALA  47           HA       ALA  47 173.417  -3.013   6.442
  345   1HB   ALA  47          HB1       ALA  47 174.971  -2.991   4.533
  346   2HB   ALA  47          HB2       ALA  47 175.870  -1.681   5.298
  347   3HB   ALA  47          HB3       ALA  47 174.202  -1.425   4.788
  348    H    LEU  48           HN       LEU  48 176.359  -2.340   8.177
  349    HA   LEU  48           HA       LEU  48 177.519  -4.929   7.784
  350   1HB   LEU  48          HB2       LEU  48 178.977  -3.081   8.172
  351   2HB   LEU  48          HB1       LEU  48 178.121  -2.628   9.630
  352    HG   LEU  48           HG       LEU  48 178.890  -4.742  10.691
  353   1HD1  LEU  48          HD11      LEU  48 181.079  -5.535   9.318
  354   2HD1  LEU  48          HD12      LEU  48 179.984  -5.143   7.992
  355   3HD1  LEU  48          HD13      LEU  48 179.504  -6.321   9.212
  356   1HD2  LEU  48          HD21      LEU  48 180.665  -2.542   9.813
  357   2HD2  LEU  48          HD22      LEU  48 181.436  -3.953  10.538
  358   3HD2  LEU  48          HD23      LEU  48 180.212  -3.058  11.438
  359    H    GLU  49           HN       GLU  49 175.718  -3.280  10.327
  360    HA   GLU  49           HA       GLU  49 175.926  -5.342  12.214
  361   1HB   GLU  49          HB2       GLU  49 174.241  -4.183  13.478
  362   2HB   GLU  49          HB1       GLU  49 175.336  -3.004  12.774
  363   1HG   GLU  49          HG2       GLU  49 173.759  -2.300  11.209
  364   2HG   GLU  49          HG1       GLU  49 172.751  -3.726  11.446
  365    H    SER  50           HN       SER  50 173.567  -4.692   9.680
  366    HA   SER  50           HA       SER  50 171.825  -6.816  10.559
  367   1HB   SER  50          HB2       SER  50 171.404  -5.837   7.833
  368   2HB   SER  50          HB1       SER  50 170.298  -5.875   9.205
  369    HG   SER  50           HG       SER  50 170.645  -3.758   8.859
  370    H    LEU  51           HN       LEU  51 174.140  -6.327   7.906
  371    HA   LEU  51           HA       LEU  51 173.619  -8.800   6.640
  372   1HB   LEU  51          HB2       LEU  51 175.961  -6.913   6.539
  373   2HB   LEU  51          HB1       LEU  51 175.841  -8.346   5.550
  374    HG   LEU  51           HG       LEU  51 173.786  -6.150   5.493
  375   1HD1  LEU  51          HD11      LEU  51 175.440  -4.930   4.576
  376   2HD1  LEU  51          HD12      LEU  51 175.090  -5.905   3.148
  377   3HD1  LEU  51          HD13      LEU  51 176.428  -6.344   4.211
  378   1HD2  LEU  51          HD21      LEU  51 173.406  -7.225   3.203
  379   2HD2  LEU  51          HD22      LEU  51 172.835  -8.102   4.622
  380   3HD2  LEU  51          HD23      LEU  51 174.335  -8.587   3.830
  381    H    ILE  52           HN       ILE  52 175.718  -7.840   9.264
  382    HA   ILE  52           HA       ILE  52 177.497 -10.004   9.239
  383    HB   ILE  52           HB       ILE  52 177.849  -7.981  10.589
  384   1HG1  ILE  52          2HG1      ILE  52 178.856 -10.315  11.098
  385   2HG1  ILE  52          1HG1      ILE  52 179.021  -9.044  12.302
  386   1HG2  ILE  52          1HG2      ILE  52 175.313  -8.797  11.764
  387   2HG2  ILE  52          2HG2      ILE  52 176.093  -7.218  11.725
  388   3HG2  ILE  52          3HG2      ILE  52 176.540  -8.390  12.963
  389   1HD1  ILE  52          HD11      ILE  52 176.610 -10.521  12.769
  390   2HD1  ILE  52          HD12      ILE  52 178.009 -10.293  13.816
  391   3HD1  ILE  52          HD13      ILE  52 177.987 -11.615  12.650
  392    H    ASN  53           HN       ASN  53 174.196  -9.784  10.279
  393    HA   ASN  53           HA       ASN  53 174.243 -12.140  11.912
  394   1HB   ASN  53          HB2       ASN  53 172.208 -10.198  10.994
  395   2HB   ASN  53          HB1       ASN  53 171.618 -11.820  11.343
  396   1HD2  ASN  53          HD21      ASN  53 174.254 -10.065  12.889
  397   2HD2  ASN  53          HD22      ASN  53 173.540 -10.018  14.461
  398    H    VAL  54           HN       VAL  54 174.261 -11.624   8.574
  399    HA   VAL  54           HA       VAL  54 172.620 -13.717   7.655
  400    HB   VAL  54           HB       VAL  54 175.096 -12.601   6.329
  401   1HG1  VAL  54          1HG1      VAL  54 172.797 -14.249   5.310
  402   2HG1  VAL  54          2HG1      VAL  54 174.523 -14.599   5.215
  403   3HG1  VAL  54          3HG1      VAL  54 173.831 -13.301   4.242
  404   1HG2  VAL  54          1HG2      VAL  54 173.740 -10.978   5.292
  405   2HG2  VAL  54          2HG2      VAL  54 173.287 -10.945   6.995
  406   3HG2  VAL  54          3HG2      VAL  54 172.254 -11.763   5.824
  407    H    SER  55           HN       SER  55 173.050 -15.830   7.102
  408    HA   SER  55           HA       SER  55 175.681 -16.959   7.488
  409   1HB   SER  55          HB2       SER  55 173.619 -18.390   9.063
  410   2HB   SER  55          HB1       SER  55 175.337 -18.165   9.392
  411    HG   SER  55           HG       SER  55 173.269 -16.818  10.392
  412    H    GLY  56           HN       GLY  56 175.964 -18.345   5.879
  413   1HA   GLY  56          HA2       GLY  56 175.341 -20.432   4.823
  414   2HA   GLY  56          HA1       GLY  56 173.658 -19.954   4.987
  415    H    CYS  57           HN       CYS  57 176.083 -17.682   3.944
  416    HA   CYS  57           HA       CYS  57 175.340 -18.024   1.141
  417   1HB   CYS  57          HB2       CYS  57 174.456 -15.851   2.867
  418   2HB   CYS  57          HB1       CYS  57 175.369 -15.261   1.488
  419    H    SER  58           HN       SER  58 177.052 -15.700   3.216
  420    HA   SER  58           HA       SER  58 179.212 -15.016   3.287
  421   1HB   SER  58          HB2       SER  58 179.417 -17.676   2.808
  422   2HB   SER  58          HB1       SER  58 180.253 -17.029   1.393
  423    HG   SER  58           HG       SER  58 181.108 -17.192   3.936
  424    H    ALA  59           HN       ALA  59 177.283 -14.730   0.744
  425    HA   ALA  59           HA       ALA  59 179.203 -13.823  -1.225
  426   1HB   ALA  59          HB1       ALA  59 177.404 -14.719  -2.325
  427   2HB   ALA  59          HB2       ALA  59 176.938 -13.018  -2.306
  428   3HB   ALA  59          HB3       ALA  59 176.243 -14.136  -1.132
  429    H    ILE  60           HN       ILE  60 178.015 -12.576   1.572
  430    HA   ILE  60           HA       ILE  60 178.065  -9.800   0.617
  431    HB   ILE  60           HB       ILE  60 177.119  -9.524   3.098
  432   1HG1  ILE  60          2HG1      ILE  60 175.442 -11.358   3.492
  433   2HG1  ILE  60          1HG1      ILE  60 176.256 -12.290   2.242
  434   1HG2  ILE  60          1HG2      ILE  60 174.778  -9.899   1.927
  435   2HG2  ILE  60          2HG2      ILE  60 175.794  -9.994   0.489
  436   3HG2  ILE  60          3HG2      ILE  60 175.828  -8.549   1.498
  437   1HD1  ILE  60          HD11      ILE  60 177.677 -13.055   3.743
  438   2HD1  ILE  60          HD12      ILE  60 176.863 -12.115   4.994
  439   3HD1  ILE  60          HD13      ILE  60 178.209 -11.413   4.098
  440    H    GLU  61           HN       GLU  61 179.758 -12.138   2.424
  441    HA   GLU  61           HA       GLU  61 180.971 -10.933   4.504
  442   1HB   GLU  61          HB2       GLU  61 181.801 -12.954   2.544
  443   2HB   GLU  61          HB1       GLU  61 183.135 -12.153   3.361
  444   1HG   GLU  61          HG2       GLU  61 181.450 -12.718   5.433
  445   2HG   GLU  61          HG1       GLU  61 181.212 -14.101   4.365
  446    H    LYS  62           HN       LYS  62 181.682 -10.326   1.118
  447    HA   LYS  62           HA       LYS  62 183.968  -8.715   1.514
  448   1HB   LYS  62          HB2       LYS  62 182.059  -9.202  -0.714
  449   2HB   LYS  62          HB1       LYS  62 183.027  -7.737  -0.796
  450   1HG   LYS  62          HG2       LYS  62 184.378  -9.185  -1.922
  451   2HG   LYS  62          HG1       LYS  62 184.998  -9.395  -0.283
  452   1HD   LYS  62          HD2       LYS  62 183.217 -11.286  -0.138
  453   2HD   LYS  62          HD1       LYS  62 183.260 -11.215  -1.901
  454   1HE   LYS  62          HE2       LYS  62 184.812 -12.884  -1.253
  455   2HE   LYS  62          HE1       LYS  62 185.758 -11.478  -1.739
  456   1HZ   LYS  62          HZ1       LYS  62 186.218 -12.779   0.497
  457   2HZ   LYS  62          HZ2       LYS  62 185.054 -11.702   1.085
  458   3HZ   LYS  62          HZ3       LYS  62 186.466 -11.111   0.366
  459    H    THR  63           HN       THR  63 180.535  -7.921   1.118
  460    HA   THR  63           HA       THR  63 180.862  -5.117   1.344
  461    HB   THR  63           HB       THR  63 178.453  -6.887   1.800
  462    HG1  THR  63           1HG      THR  63 179.306  -5.319  -0.400
  463   1HG2  THR  63          1HG2      THR  63 178.255  -4.648   2.914
  464   2HG2  THR  63          2HG2      THR  63 177.044  -5.000   1.681
  465   3HG2  THR  63          3HG2      THR  63 178.393  -3.927   1.310
  466    H    GLN  64           HN       GLN  64 180.300  -7.687   3.679
  467    HA   GLN  64           HA       GLN  64 179.657  -6.092   5.892
  468   1HB   GLN  64          HB2       GLN  64 180.421  -8.863   5.408
  469   2HB   GLN  64          HB1       GLN  64 181.029  -8.260   6.944
  470   1HG   GLN  64          HG2       GLN  64 179.022  -8.370   7.875
  471   2HG   GLN  64          HG1       GLN  64 178.283  -7.489   6.539
  472   1HE2  GLN  64          1HE2      GLN  64 178.884 -10.565   7.947
  473   2HE2  GLN  64          2HE2      GLN  64 177.943 -11.499   6.839
  474    H    ARG  65           HN       ARG  65 182.808  -7.560   5.073
  475    HA   ARG  65           HA       ARG  65 184.283  -6.322   7.040
  476   1HB   ARG  65          HB2       ARG  65 185.135  -7.249   4.301
  477   2HB   ARG  65          HB1       ARG  65 186.255  -6.774   5.571
  478   1HG   ARG  65          HG2       ARG  65 185.514  -8.584   6.972
  479   2HG   ARG  65          HG1       ARG  65 184.258  -9.014   5.809
  480   1HD   ARG  65          HD2       ARG  65 186.181 -10.505   5.622
  481   2HD   ARG  65          HD1       ARG  65 185.967  -9.555   4.153
  482    HE   ARG  65           HE       ARG  65 187.745  -8.125   5.662
  483   1HH1  ARG  65          HH11      ARG  65 187.628 -11.370   4.384
  484   2HH1  ARG  65          HH12      ARG  65 189.348 -11.507   4.233
  485   1HH2  ARG  65          HH21      ARG  65 190.008  -8.303   5.464
  486   2HH2  ARG  65          HH22      ARG  65 190.699  -9.766   4.847
  487    H    MET  66           HN       MET  66 183.915  -5.346   3.635
  488    HA   MET  66           HA       MET  66 185.427  -3.028   3.719
  489   1HB   MET  66          HB2       MET  66 184.558  -2.535   1.641
  490   2HB   MET  66          HB1       MET  66 184.238  -4.258   1.738
  491   1HG   MET  66          HG2       MET  66 182.185  -3.677   1.089
  492   2HG   MET  66          HG1       MET  66 181.954  -3.264   2.785
  493   1HE   MET  66          HE1       MET  66 183.665  -2.093  -0.265
  494   2HE   MET  66          HE2       MET  66 183.585  -0.332  -0.218
  495   3HE   MET  66          HE3       MET  66 182.271  -1.255  -0.946
  496    H    LEU  67           HN       LEU  67 182.147  -3.601   4.790
  497    HA   LEU  67           HA       LEU  67 181.464  -0.855   5.156
  498   1HB   LEU  67          HB2       LEU  67 180.288  -3.474   5.996
  499   2HB   LEU  67          HB1       LEU  67 179.711  -1.995   6.738
  500    HG   LEU  67           HG       LEU  67 179.695  -2.518   3.767
  501   1HD1  LEU  67          HD11      LEU  67 177.506  -2.772   5.821
  502   2HD1  LEU  67          HD12      LEU  67 178.181  -4.054   4.815
  503   3HD1  LEU  67          HD13      LEU  67 177.243  -2.755   4.077
  504   1HD2  LEU  67          HD21      LEU  67 179.613  -0.121   5.073
  505   2HD2  LEU  67          HD22      LEU  67 177.901  -0.516   4.921
  506   3HD2  LEU  67          HD23      LEU  67 178.919  -0.437   3.483
  507    H    SER  68           HN       SER  68 182.752  -3.417   7.210
  508    HA   SER  68           HA       SER  68 182.615  -2.131   9.676
  509   1HB   SER  68          HB2       SER  68 184.142  -3.746  10.471
  510   2HB   SER  68          HB1       SER  68 183.298  -4.558   9.152
  511    HG   SER  68           HG       SER  68 185.657  -4.739   9.163
  512    H    GLY  69           HN       GLY  69 185.150  -2.102   7.228
  513   1HA   GLY  69          HA2       GLY  69 187.072  -0.611   8.484
  514   2HA   GLY  69          HA1       GLY  69 186.772  -0.553   6.758
  515    H    PHE  70           HN       PHE  70 183.999   0.445   7.266
  516    HA   PHE  70           HA       PHE  70 184.729   3.250   7.760
  517   1HB   PHE  70          HB2       PHE  70 182.583   1.977   6.073
  518   2HB   PHE  70          HB1       PHE  70 182.510   3.676   6.530
  519    HD1  PHE  70           HD1      PHE  70 184.539   1.158   4.738
  520    HD2  PHE  70           HD2      PHE  70 183.777   5.293   5.394
  521    HE1  PHE  70           HE1      PHE  70 185.999   1.723   2.839
  522    HE2  PHE  70           HE2      PHE  70 185.234   5.866   3.495
  523    HZ   PHE  70           HZ       PHE  70 186.347   4.080   2.215
  524    H    CYS  71           HN       CYS  71 182.758   0.635   8.860
  525    HA   CYS  71           HA       CYS  71 180.618   1.720  10.108
  526   1HB   CYS  71          HB2       CYS  71 181.371  -0.690  10.141
  527   2HB   CYS  71          HB1       CYS  71 182.445  -0.263  11.465
  528    HA   PRO  72           HA       PRO  72 182.669   5.042  12.472
  529   1HB   PRO  72          HB2       PRO  72 180.199   5.561  13.758
  530   2HB   PRO  72          HB1       PRO  72 180.912   6.457  12.417
  531   1HG   PRO  72          HG2       PRO  72 178.841   4.332  12.384
  532   2HG   PRO  72          HG1       PRO  72 179.067   5.704  11.285
  533   1HD   PRO  72          HD2       PRO  72 179.674   3.209  10.537
  534   2HD   PRO  72          HD1       PRO  72 180.672   4.589  10.028
  535    H    HIS  73           HN       HIS  73 180.070   3.272  14.089
  536    HA   HIS  73           HA       HIS  73 181.762   3.016  16.463
  537   1HB   HIS  73          HB2       HIS  73 178.858   3.137  15.969
  538   2HB   HIS  73          HB1       HIS  73 179.348   1.991  17.211
  539    HD1  HIS  73           HD1      HIS  73 178.476   3.314  19.191
  540    HD2  HIS  73           HD2      HIS  73 181.108   5.476  16.812
  541    HE1  HIS  73           HE1      HIS  73 178.995   5.404  20.490
  542    HE2  HIS  73           HE2      HIS  73 180.524   6.735  18.995
  543    H    LYS  74           HN       LYS  74 180.842   0.827  17.705
  544    HA   LYS  74           HA       LYS  74 181.762  -1.328  15.948
  545   1HB   LYS  74          HB2       LYS  74 182.581  -0.687  18.437
  546   2HB   LYS  74          HB1       LYS  74 181.317  -1.843  18.832
  547   1HG   LYS  74          HG2       LYS  74 183.265  -3.117  18.714
  548   2HG   LYS  74          HG1       LYS  74 182.459  -3.403  17.170
  549   1HD   LYS  74          HD2       LYS  74 183.999  -2.164  15.985
  550   2HD   LYS  74          HD1       LYS  74 184.451  -1.192  17.387
  551   1HE   LYS  74          HE2       LYS  74 185.421  -3.354  18.345
  552   2HE   LYS  74          HE1       LYS  74 185.264  -4.004  16.714
  553   1HZ   LYS  74          HZ1       LYS  74 187.479  -3.059  17.206
  554   2HZ   LYS  74          HZ2       LYS  74 186.770  -1.534  17.382
  555   3HZ   LYS  74          HZ3       LYS  74 186.721  -2.321  15.886
  556    H    VAL  75           HN       VAL  75 180.532  -3.075  15.442
  557    HA   VAL  75           HA       VAL  75 178.172  -3.792  16.853
  558    HB   VAL  75           HB       VAL  75 177.258  -1.857  15.674
  559   1HG1  VAL  75          1HG1      VAL  75 177.569  -3.148  13.022
  560   2HG1  VAL  75          2HG1      VAL  75 178.968  -2.317  13.702
  561   3HG1  VAL  75          3HG1      VAL  75 177.460  -1.440  13.446
  562   1HG2  VAL  75          1HG2      VAL  75 175.924  -3.963  16.054
  563   2HG2  VAL  75          2HG2      VAL  75 176.224  -4.360  14.362
  564   3HG2  VAL  75          3HG2      VAL  75 175.327  -2.900  14.780
  565    H    SER  76           HN       SER  76 178.902  -5.871  16.849
  566    HA   SER  76           HA       SER  76 179.382  -7.203  14.323
  567   1HB   SER  76          HB2       SER  76 181.211  -7.214  16.013
  568   2HB   SER  76          HB1       SER  76 180.114  -8.051  17.111
  569    HG   SER  76           HG       SER  76 181.463  -9.503  15.965
  570    H    ALA  77           HN       ALA  77 179.106  -9.456  16.112
  571    HA   ALA  77           HA       ALA  77 176.688 -10.517  15.257
  572   1HB   ALA  77          HB1       ALA  77 178.827 -11.543  16.557
  573   2HB   ALA  77          HB2       ALA  77 177.303 -12.398  16.323
  574   3HB   ALA  77          HB3       ALA  77 177.619 -11.560  17.842
  575    H    GLY  78           HN       GLY  78 175.216 -11.542  17.244
  576   1HA   GLY  78          HA2       GLY  78 173.444  -9.521  17.932
  577   2HA   GLY  78          HA1       GLY  78 173.518 -11.089  18.721
  578    H    GLN  79           HN       GLN  79 174.584 -11.304  20.680
  579    HA   GLN  79           HA       GLN  79 175.295 -10.652  22.741
  580   1HB   GLN  79          HB2       GLN  79 176.641  -8.355  21.319
  581   2HB   GLN  79          HB1       GLN  79 177.098  -9.075  22.856
  582   1HG   GLN  79          HG2       GLN  79 178.441 -10.488  21.822
  583   2HG   GLN  79          HG1       GLN  79 177.091 -11.116  20.879
  584   1HE2  GLN  79          1HE2      GLN  79 179.692 -10.960  19.905
  585   2HE2  GLN  79          2HE2      GLN  79 179.735  -9.812  18.616
  586    H    PHE  80           HN       PHE  80 175.665  -8.296  24.011
  587    HA   PHE  80           HA       PHE  80 173.102  -6.884  23.660
  588   1HB   PHE  80          HB2       PHE  80 173.282  -6.503  26.199
  589   2HB   PHE  80          HB1       PHE  80 172.804  -8.104  25.644
  590    HD1  PHE  80           HD1      PHE  80 175.099  -6.237  27.619
  591    HD2  PHE  80           HD2      PHE  80 174.625  -9.887  25.483
  592    HE1  PHE  80           HE1      PHE  80 176.945  -7.228  28.911
  593    HE2  PHE  80           HE2      PHE  80 176.469 -10.885  26.771
  594    HZ   PHE  80           HZ       PHE  80 177.631  -9.555  28.488
  595    H    SER  81           HN       SER  81 173.261  -4.774  25.180
  596    HA   SER  81           HA       SER  81 174.104  -2.671  25.372
  597   1HB   SER  81          HB2       SER  81 176.867  -3.832  25.054
  598   2HB   SER  81          HB1       SER  81 176.372  -2.419  25.986
  599    HG   SER  81           HG       SER  81 176.764  -4.667  27.018
  600    H    SER  82           HN       SER  82 173.479  -3.769  22.744
  601    HA   SER  82           HA       SER  82 174.378  -1.648  21.138
  602   1HB   SER  82          HB2       SER  82 176.528  -2.783  21.135
  603   2HB   SER  82          HB1       SER  82 175.763  -4.295  20.646
  604    HG   SER  82           HG       SER  82 176.246  -1.971  19.155
  605    H    LEU  83           HN       LEU  83 171.943  -2.963  21.773
  606    HA   LEU  83           HA       LEU  83 171.158  -3.984  19.121
  607   1HB   LEU  83          HB2       LEU  83 170.413  -4.840  21.873
  608   2HB   LEU  83          HB1       LEU  83 169.184  -4.937  20.627
  609    HG   LEU  83           HG       LEU  83 170.527  -6.455  19.326
  610   1HD1  LEU  83          HD11      LEU  83 172.648  -5.920  21.392
  611   2HD1  LEU  83          HD12      LEU  83 172.725  -5.626  19.654
  612   3HD1  LEU  83          HD13      LEU  83 172.703  -7.279  20.269
  613   1HD2  LEU  83          HD21      LEU  83 170.945  -7.662  21.982
  614   2HD2  LEU  83          HD22      LEU  83 170.075  -8.277  20.577
  615   3HD2  LEU  83          HD23      LEU  83 169.310  -7.095  21.640
  616    H    HIS  84           HN       HIS  84 170.963  -1.588  18.740
  617    HA   HIS  84           HA       HIS  84 168.197  -0.837  19.017
  618   1HB   HIS  84          HB2       HIS  84 170.352   0.874  20.274
  619   2HB   HIS  84          HB1       HIS  84 168.678   1.367  20.045
  620    HD1  HIS  84           HD1      HIS  84 166.882  -0.221  21.363
  621    HD2  HIS  84           HD2      HIS  84 170.832  -0.356  22.643
  622    HE1  HIS  84           HE1      HIS  84 166.806  -1.214  23.671
  623    HE2  HIS  84           HE2      HIS  84 169.216  -1.367  24.391
  624    H    VAL  85           HN       VAL  85 168.151  -0.863  16.779
  625    HA   VAL  85           HA       VAL  85 169.597   1.347  15.494
  626    HB   VAL  85           HB       VAL  85 170.774  -0.397  14.573
  627   1HG1  VAL  85          1HG1      VAL  85 169.135  -2.422  13.681
  628   2HG1  VAL  85          2HG1      VAL  85 168.422  -1.968  15.228
  629   3HG1  VAL  85          3HG1      VAL  85 170.118  -2.442  15.145
  630   1HG2  VAL  85          1HG2      VAL  85 168.625  -0.644  12.546
  631   2HG2  VAL  85          2HG2      VAL  85 170.345  -0.314  12.343
  632   3HG2  VAL  85          3HG2      VAL  85 169.258   0.969  12.875
  633    H    ARG  86           HN       ARG  86 167.277  -0.904  14.082
  634    HA   ARG  86           HA       ARG  86 165.203   1.135  14.097
  635   1HB   ARG  86          HB2       ARG  86 164.861   1.056  11.695
  636   2HB   ARG  86          HB1       ARG  86 166.507   1.566  12.046
  637   1HG   ARG  86          HG2       ARG  86 166.834  -1.115  11.809
  638   2HG   ARG  86          HG1       ARG  86 165.523  -0.824  10.664
  639   1HD   ARG  86          HD2       ARG  86 168.253   0.448  10.705
  640   2HD   ARG  86          HD1       ARG  86 167.584  -0.626   9.477
  641    HE   ARG  86           HE       ARG  86 167.220   2.192   9.664
  642   1HH1  ARG  86          HH11      ARG  86 165.648  -0.762   8.672
  643   2HH1  ARG  86          HH12      ARG  86 164.624   0.024   7.518
  644   1HH2  ARG  86          HH21      ARG  86 165.874   3.226   8.146
  645   2HH2  ARG  86          HH22      ARG  86 164.753   2.287   7.218
  646    H    ASP  87           HN       ASP  87 163.194   0.208  12.880
  647    HA   ASP  87           HA       ASP  87 162.916  -2.626  13.644
  648   1HB   ASP  87          HB2       ASP  87 161.032  -0.308  13.969
  649   2HB   ASP  87          HB1       ASP  87 160.424  -1.960  13.910
  650    H    THR  88           HN       THR  88 162.861  -0.462  11.068
  651    HA   THR  88           HA       THR  88 160.812  -1.721   9.507
  652    HB   THR  88           HB       THR  88 162.253  -0.389   7.661
  653    HG1  THR  88           1HG      THR  88 163.123   1.460   8.682
  654   1HG2  THR  88          1HG2      THR  88 159.938   0.152   9.154
  655   2HG2  THR  88          2HG2      THR  88 160.446   0.874   7.627
  656   3HG2  THR  88          3HG2      THR  88 160.903   1.627   9.155
  657    H    LYS  89           HN       LYS  89 160.971  -3.557   8.419
  658    HA   LYS  89           HA       LYS  89 163.631  -4.698   7.948
  659   1HB   LYS  89          HB2       LYS  89 160.911  -5.825   8.375
  660   2HB   LYS  89          HB1       LYS  89 162.010  -6.730   7.345
  661   1HG   LYS  89          HG2       LYS  89 163.093  -7.531   9.102
  662   2HG   LYS  89          HG1       LYS  89 163.360  -5.907   9.738
  663   1HD   LYS  89          HD2       LYS  89 161.360  -5.936  10.962
  664   2HD   LYS  89          HD1       LYS  89 160.718  -7.300  10.045
  665   1HE   LYS  89          HE2       LYS  89 161.968  -8.841  11.198
  666   2HE   LYS  89          HE1       LYS  89 163.230  -7.677  11.599
  667   1HZ   LYS  89          HZ1       LYS  89 161.433  -6.602  13.044
  668   2HZ   LYS  89          HZ2       LYS  89 162.142  -8.034  13.599
  669   3HZ   LYS  89          HZ3       LYS  89 160.606  -8.071  12.891
  670    H    ILE  90           HN       ILE  90 164.225  -5.526   5.929
  671    HA   ILE  90           HA       ILE  90 162.462  -5.028   3.659
  672    HB   ILE  90           HB       ILE  90 164.173  -3.836   2.387
  673   1HG1  ILE  90          2HG1      ILE  90 165.837  -3.144   4.704
  674   2HG1  ILE  90          1HG1      ILE  90 165.948  -4.838   4.240
  675   1HG2  ILE  90          1HG2      ILE  90 163.850  -2.359   4.977
  676   2HG2  ILE  90          2HG2      ILE  90 162.473  -2.688   3.924
  677   3HG2  ILE  90          3HG2      ILE  90 163.828  -1.728   3.330
  678   1HD1  ILE  90          HD11      ILE  90 166.156  -2.823   2.084
  679   2HD1  ILE  90          HD12      ILE  90 166.976  -4.373   2.276
  680   3HD1  ILE  90          HD13      ILE  90 167.511  -2.971   3.204
  681    H    GLU  91           HN       GLU  91 163.231  -6.041   1.670
  682    HA   GLU  91           HA       GLU  91 164.201  -8.655   2.127
  683   1HB   GLU  91          HB2       GLU  91 163.488  -7.037  -0.272
  684   2HB   GLU  91          HB1       GLU  91 164.446  -8.491  -0.516
  685   1HG   GLU  91          HG2       GLU  91 162.481  -9.414   1.114
  686   2HG   GLU  91          HG1       GLU  91 161.622  -8.185   0.187
  687    H    VAL  92           HN       VAL  92 166.201  -9.462   2.138
  688    HA   VAL  92           HA       VAL  92 168.478  -7.944   2.349
  689    HB   VAL  92           HB       VAL  92 169.520 -10.253   1.304
  690   1HG1  VAL  92          1HG1      VAL  92 170.219 -10.639   3.426
  691   2HG1  VAL  92          2HG1      VAL  92 168.629 -10.339   4.125
  692   3HG1  VAL  92          3HG1      VAL  92 169.642  -8.985   3.627
  693   1HG2  VAL  92          1HG2      VAL  92 167.146 -11.070   0.999
  694   2HG2  VAL  92          2HG2      VAL  92 167.033 -11.110   2.759
  695   3HG2  VAL  92          3HG2      VAL  92 168.214 -12.122   1.927
  696    H    ALA  93           HN       ALA  93 166.890  -9.019  -0.570
  697    HA   ALA  93           HA       ALA  93 169.037  -8.604  -2.369
  698   1HB   ALA  93          HB1       ALA  93 167.525  -8.994  -4.044
  699   2HB   ALA  93          HB2       ALA  93 166.242  -8.084  -3.249
  700   3HB   ALA  93          HB3       ALA  93 166.651  -9.705  -2.688
  701    H    GLN  94           HN       GLN  94 166.208  -6.562  -1.661
  702    HA   GLN  94           HA       GLN  94 167.146  -4.260  -2.985
  703   1HB   GLN  94          HB2       GLN  94 164.840  -5.021  -1.565
  704   2HB   GLN  94          HB1       GLN  94 165.477  -3.628  -0.703
  705   1HG   GLN  94          HG2       GLN  94 165.105  -3.592  -3.672
  706   2HG   GLN  94          HG1       GLN  94 163.779  -3.232  -2.566
  707   1HE2  GLN  94          1HE2      GLN  94 167.109  -2.309  -3.323
  708   2HE2  GLN  94          2HE2      GLN  94 166.930  -0.644  -2.899
  709    H    PHE  95           HN       PHE  95 167.835  -5.703   0.040
  710    HA   PHE  95           HA       PHE  95 168.785  -3.529   1.526
  711   1HB   PHE  95          HB2       PHE  95 168.292  -5.979   2.203
  712   2HB   PHE  95          HB1       PHE  95 169.939  -6.292   1.678
  713    HD1  PHE  95           HD1      PHE  95 167.851  -5.215   4.310
  714    HD2  PHE  95           HD2      PHE  95 171.804  -4.918   2.780
  715    HE1  PHE  95           HE1      PHE  95 168.647  -4.550   6.524
  716    HE2  PHE  95           HE2      PHE  95 172.618  -4.238   5.002
  717    HZ   PHE  95           HZ       PHE  95 171.036  -4.052   6.883
  718    H    VAL  96           HN       VAL  96 170.631  -6.000  -0.189
  719    HA   VAL  96           HA       VAL  96 173.129  -4.770  -0.011
  720    HB   VAL  96           HB       VAL  96 172.278  -6.511  -2.321
  721   1HG1  VAL  96          1HG1      VAL  96 174.909  -6.656  -0.939
  722   2HG1  VAL  96          2HG1      VAL  96 174.596  -5.316  -2.042
  723   3HG1  VAL  96          3HG1      VAL  96 174.498  -6.978  -2.624
  724   1HG2  VAL  96          1HG2      VAL  96 171.660  -8.037  -0.800
  725   2HG2  VAL  96          2HG2      VAL  96 172.419  -7.158   0.527
  726   3HG2  VAL  96          3HG2      VAL  96 173.387  -8.222  -0.493
  727    H    LYS  97           HN       LYS  97 170.783  -4.748  -2.679
  728    HA   LYS  97           HA       LYS  97 172.140  -3.157  -4.477
  729   1HB   LYS  97          HB2       LYS  97 169.167  -3.155  -3.933
  730   2HB   LYS  97          HB1       LYS  97 169.940  -2.552  -5.393
  731   1HG   LYS  97          HG2       LYS  97 170.549  -4.697  -6.096
  732   2HG   LYS  97          HG1       LYS  97 170.284  -5.391  -4.495
  733   1HD   LYS  97          HD2       LYS  97 167.844  -4.782  -4.782
  734   2HD   LYS  97          HD1       LYS  97 168.222  -4.439  -6.471
  735   1HE   LYS  97          HE2       LYS  97 169.059  -6.744  -6.722
  736   2HE   LYS  97          HE1       LYS  97 168.600  -7.074  -5.052
  737   1HZ   LYS  97          HZ1       LYS  97 166.295  -6.567  -5.652
  738   2HZ   LYS  97          HZ2       LYS  97 166.907  -7.863  -6.549
  739   3HZ   LYS  97          HZ3       LYS  97 166.759  -6.337  -7.262
  740    H    ASP  98           HN       ASP  98 169.949  -2.059  -1.868
  741    HA   ASP  98           HA       ASP  98 170.247   0.669  -2.436
  742   1HB   ASP  98          HB2       ASP  98 169.032  -0.911  -0.304
  743   2HB   ASP  98          HB1       ASP  98 169.640   0.652   0.233
  744    H    LEU  99           HN       LEU  99 171.874  -1.441  -0.299
  745    HA   LEU  99           HA       LEU  99 173.513   0.280   1.101
  746   1HB   LEU  99          HB2       LEU  99 173.736  -1.856   1.811
  747   2HB   LEU  99          HB1       LEU  99 173.376  -2.474   0.204
  748    HG   LEU  99           HG       LEU  99 175.946  -1.570  -0.125
  749   1HD1  LEU  99          HD11      LEU  99 175.961  -2.871   2.574
  750   2HD1  LEU  99          HD12      LEU  99 175.919  -1.117   2.390
  751   3HD1  LEU  99          HD13      LEU  99 177.273  -2.041   1.738
  752   1HD2  LEU  99          HD21      LEU  99 175.112  -3.715  -0.866
  753   2HD2  LEU  99          HD22      LEU  99 175.032  -4.288   0.800
  754   3HD2  LEU  99          HD23      LEU  99 176.595  -3.937   0.061
  755    H    LEU 100           HN       LEU 100 173.880  -1.173  -2.086
  756    HA   LEU 100           HA       LEU 100 176.389  -0.026  -2.737
  757   1HB   LEU 100          HB2       LEU 100 175.696  -1.997  -3.884
  758   2HB   LEU 100          HB1       LEU 100 174.174  -1.273  -4.348
  759    HG   LEU 100           HG       LEU 100 176.088  -1.596  -6.097
  760   1HD1  LEU 100          HD11      LEU 100 173.889  -0.536  -6.462
  761   2HD1  LEU 100          HD12      LEU 100 175.185   0.202  -7.402
  762   3HD1  LEU 100          HD13      LEU 100 174.579   1.004  -5.955
  763   1HD2  LEU 100          HD21      LEU 100 177.362   0.199  -4.365
  764   2HD2  LEU 100          HD22      LEU 100 176.921   1.133  -5.788
  765   3HD2  LEU 100          HD23      LEU 100 177.896  -0.321  -5.960
  766    H    LEU 101           HN       LEU 101 173.071   0.944  -3.088
  767    HA   LEU 101           HA       LEU 101 173.262   3.003  -4.942
  768   1HB   LEU 101          HB2       LEU 101 171.119   2.357  -4.351
  769   2HB   LEU 101          HB1       LEU 101 171.456   2.364  -2.655
  770    HG   LEU 101           HG       LEU 101 169.883   4.156  -3.804
  771   1HD1  LEU 101          HD11      LEU 101 169.834   5.102  -1.778
  772   2HD1  LEU 101          HD12      LEU 101 171.568   5.414  -1.762
  773   3HD1  LEU 101          HD13      LEU 101 170.956   3.813  -1.339
  774   1HD2  LEU 101          HD21      LEU 101 170.828   5.978  -4.718
  775   2HD2  LEU 101          HD22      LEU 101 172.163   4.876  -5.053
  776   3HD2  LEU 101          HD23      LEU 101 172.222   5.930  -3.640
  777    H    HIS 102           HN       HIS 102 172.907   3.499  -1.485
  778    HA   HIS 102           HA       HIS 102 173.814   6.168  -1.567
  779   1HB   HIS 102          HB2       HIS 102 172.333   5.404   0.186
  780   2HB   HIS 102          HB1       HIS 102 173.559   4.288   0.781
  781    HD2  HIS 102           HD2      HIS 102 175.433   5.341   2.438
  782    HE1  HIS 102           HE1      HIS 102 174.000   9.319   2.279
  783    HE2  HIS 102           HE2      HIS 102 175.480   7.690   3.540
  784    H    LEU 103           HN       LEU 103 175.549   3.161  -0.777
  785    HA   LEU 103           HA       LEU 103 177.838   4.384   0.257
  786   1HB   LEU 103          HB2       LEU 103 177.296   1.739  -1.020
  787   2HB   LEU 103          HB1       LEU 103 178.940   2.205  -0.645
  788    HG   LEU 103           HG       LEU 103 176.757   2.216   1.423
  789   1HD1  LEU 103          HD11      LEU 103 178.734   0.009   0.890
  790   2HD1  LEU 103          HD12      LEU 103 177.021  -0.045   0.473
  791   3HD1  LEU 103          HD13      LEU 103 177.515   0.059   2.162
  792   1HD2  LEU 103          HD21      LEU 103 179.561   2.938   1.360
  793   2HD2  LEU 103          HD22      LEU 103 179.219   1.720   2.589
  794   3HD2  LEU 103          HD23      LEU 103 178.340   3.249   2.594
  795    H    LYS 104           HN       LYS 104 177.071   3.451  -3.103
  796    HA   LYS 104           HA       LYS 104 179.572   4.327  -4.133
  797   1HB   LYS 104          HB2       LYS 104 178.763   3.746  -6.214
  798   2HB   LYS 104          HB1       LYS 104 177.757   2.750  -5.176
  799   1HG   LYS 104          HG2       LYS 104 176.121   4.784  -5.298
  800   2HG   LYS 104          HG1       LYS 104 177.036   5.170  -6.755
  801   1HD   LYS 104          HD2       LYS 104 175.803   2.479  -6.233
  802   2HD   LYS 104          HD1       LYS 104 174.972   3.771  -7.100
  803   1HE   LYS 104          HE2       LYS 104 175.898   2.696  -8.879
  804   2HE   LYS 104          HE1       LYS 104 177.230   3.781  -8.486
  805   1HZ   LYS 104          HZ1       LYS 104 178.126   1.626  -8.786
  806   2HZ   LYS 104          HZ2       LYS 104 176.975   0.915  -7.773
  807   3HZ   LYS 104          HZ3       LYS 104 178.160   1.930  -7.122
  808    H    LYS 105           HN       LYS 105 176.404   5.858  -3.752
  809    HA   LYS 105           HA       LYS 105 177.006   8.202  -5.206
  810   1HB   LYS 105          HB2       LYS 105 174.868   7.218  -3.504
  811   2HB   LYS 105          HB1       LYS 105 175.154   8.935  -3.256
  812   1HG   LYS 105          HG2       LYS 105 174.288   9.484  -5.241
  813   2HG   LYS 105          HG1       LYS 105 175.097   8.150  -6.065
  814   1HD   LYS 105          HD2       LYS 105 173.399   6.610  -5.386
  815   2HD   LYS 105          HD1       LYS 105 172.657   7.813  -4.329
  816   1HE   LYS 105          HE2       LYS 105 172.541   9.162  -6.623
  817   2HE   LYS 105          HE1       LYS 105 172.526   7.525  -7.278
  818   1HZ   LYS 105          HZ1       LYS 105 170.324   8.752  -6.586
  819   2HZ   LYS 105          HZ2       LYS 105 170.712   8.127  -5.063
  820   3HZ   LYS 105          HZ3       LYS 105 170.503   7.082  -6.377
  821    H    LEU 106           HN       LEU 106 177.765   7.198  -1.968
  822    HA   LEU 106           HA       LEU 106 178.404   9.835  -1.031
  823   1HB   LEU 106          HB2       LEU 106 177.950   7.318   0.144
  824   2HB   LEU 106          HB1       LEU 106 179.590   7.773   0.567
  825    HG   LEU 106           HG       LEU 106 178.709   9.939   1.438
  826   1HD1  LEU 106          HD11      LEU 106 176.139   8.691   0.578
  827   2HD1  LEU 106          HD12      LEU 106 176.695  10.357   0.409
  828   3HD1  LEU 106          HD13      LEU 106 176.166   9.759   1.981
  829   1HD2  LEU 106          HD21      LEU 106 177.254   8.555   3.278
  830   2HD2  LEU 106          HD22      LEU 106 179.013   8.680   3.267
  831   3HD2  LEU 106          HD23      LEU 106 178.225   7.274   2.552
  832    H    PHE 107           HN       PHE 107 180.350   6.924  -1.567
  833    HA   PHE 107           HA       PHE 107 182.825   8.242  -1.303
  834   1HB   PHE 107          HB2       PHE 107 182.235   5.679  -1.323
  835   2HB   PHE 107          HB1       PHE 107 182.562   5.814  -3.047
  836    HD1  PHE 107           HD1      PHE 107 184.664   8.190  -1.897
  837    HD2  PHE 107           HD2      PHE 107 184.162   3.970  -1.636
  838    HE1  PHE 107           HE1      PHE 107 187.063   7.936  -1.439
  839    HE2  PHE 107           HE2      PHE 107 186.563   3.712  -1.176
  840    HZ   PHE 107           HZ       PHE 107 188.016   5.697  -1.076
  841    H    ARG 108           HN       ARG 108 180.578   8.048  -3.912
  842    HA   ARG 108           HA       ARG 108 182.511   8.822  -5.929
  843   1HB   ARG 108          HB2       ARG 108 180.598   7.358  -6.489
  844   2HB   ARG 108          HB1       ARG 108 179.495   8.669  -6.092
  845   1HG   ARG 108          HG2       ARG 108 181.578   9.301  -8.077
  846   2HG   ARG 108          HG1       ARG 108 180.353   8.134  -8.579
  847   1HD   ARG 108          HD2       ARG 108 178.591   9.701  -8.055
  848   2HD   ARG 108          HD1       ARG 108 179.762  10.850  -7.410
  849    HE   ARG 108           HE       ARG 108 180.202  11.534  -9.543
  850   1HH1  ARG 108          HH11      ARG 108 178.600   8.437  -9.678
  851   2HH1  ARG 108          HH12      ARG 108 178.437   8.455 -11.402
  852   1HH2  ARG 108          HH21      ARG 108 179.989  11.560 -11.811
  853   2HH2  ARG 108          HH22      ARG 108 179.226  10.228 -12.613
  854    H    GLU 109           HN       GLU 109 179.813  10.312  -4.171
  855    HA   GLU 109           HA       GLU 109 180.001  12.830  -5.466
  856   1HB   GLU 109          HB2       GLU 109 178.737  11.891  -2.906
  857   2HB   GLU 109          HB1       GLU 109 178.764  13.599  -3.322
  858   1HG   GLU 109          HG2       GLU 109 177.777  11.725  -5.387
  859   2HG   GLU 109          HG1       GLU 109 176.756  11.985  -3.973
  860    H    GLY 110           HN       GLY 110 181.711  11.359  -2.833
  861   1HA   GLY 110          HA2       GLY 110 183.970  12.372  -2.497
  862   2HA   GLY 110          HA1       GLY 110 183.126  13.907  -2.354
  863    H    ARG 111           HN       ARG 111 184.876  12.720  -0.410
  864    HA   ARG 111           HA       ARG 111 183.090  11.851   1.725
  865   1HB   ARG 111          HB2       ARG 111 186.030  11.775   1.266
  866   2HB   ARG 111          HB1       ARG 111 185.479  11.871   2.933
  867   1HG   ARG 111          HG2       ARG 111 184.426   9.806   2.840
  868   2HG   ARG 111          HG1       ARG 111 184.357   9.813   1.076
  869   1HD   ARG 111          HD2       ARG 111 186.176   8.527   1.123
  870   2HD   ARG 111          HD1       ARG 111 187.062   9.964   1.631
  871    HE   ARG 111           HE       ARG 111 186.340   7.697   3.256
  872   1HH1  ARG 111          HH11      ARG 111 187.263  11.063   3.259
  873   2HH1  ARG 111          HH12      ARG 111 187.862  11.026   4.883
  874   1HH2  ARG 111          HH21      ARG 111 187.128   7.647   5.391
  875   2HH2  ARG 111          HH22      ARG 111 187.786   9.087   6.094
  876    H    PHE 112           HN       PHE 112 182.619  14.395   0.909
  877    HA   PHE 112           HA       PHE 112 183.930  16.276   2.659
  878   1HB   PHE 112          HB2       PHE 112 182.989  17.869   1.331
  879   2HB   PHE 112          HB1       PHE 112 182.852  16.514   0.223
  880    HD1  PHE 112           HD1      PHE 112 181.015  18.547   2.671
  881    HD2  PHE 112           HD2      PHE 112 180.768  15.706  -0.481
  882    HE1  PHE 112           HE1      PHE 112 178.575  18.888   2.565
  883    HE2  PHE 112           HE2      PHE 112 178.329  16.038  -0.599
  884    HZ   PHE 112           HZ       PHE 112 177.230  17.631   0.927
  885    H    ASN 113           HN       ASN 113 180.923  14.532   2.414
  886    HA   ASN 113           HA       ASN 113 180.377  14.842   5.204
  887   1HB   ASN 113          HB2       ASN 113 179.577  17.028   4.119
  888   2HB   ASN 113          HB1       ASN 113 178.307  16.056   3.382
  889   1HD2  ASN 113          HD21      ASN 113 176.482  16.324   4.426
  890   2HD2  ASN 113          HD22      ASN 113 176.288  16.415   6.140